NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
9903 1ozo 5103 cing 1-original 3 AMBER distance NOE ambi


 
#
#   31 GLY  HN           32 GLU  HN          6.00    (#     10:10  Preassigned    2.66, 2.75 A)
 &rst
  ixpk= 10, nxpk= 10, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#   31 GLY  HN           30 LYS  HN          4.50    (#     11:10  Preassigned    2.93, 3.11 A)
 &rst
  ixpk= 11, nxpk= 10, iat= 449, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HN           28 LEU  HN          4.50    (#     16:10  Unique         2.99, 3.49 A)
 &rst
  ixpk= 16, nxpk= 10, iat=1031, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HN           70 ASP  HN          6.00    (#     19:10  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 19, nxpk= 10, iat=1031,1047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA  HN           80 ALA  HN          4.50    (#     62:10  Preassigned    2.82, 2.90 A)
 &rst
  ixpk= 62, nxpk= 10, iat=1196,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  HN           78 VAL  HN          4.50    (#     69:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 69, nxpk= 10, iat=1196,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 SER  HN           17 ARG  HN          6.00    (#     84:10  Preassigned    1.89, 3.24 A)
 &rst
  ixpk= 84, nxpk= 10, iat= 231, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 SER  HN           15 PHE  HN          4.50    (#     87:10  Preassigned    2.50, 2.98 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 231, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LEU  HN           34 LYS  HN          6.00    (#     94:10  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 471, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ALA  HN            5 GLU  HN          4.50    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  84,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  HN           73 GLU  HN          3.50    (#    103:10  Preassigned    2.21, 2.34 A)
 &rst
  ixpk= 103, nxpk= 10, iat=1105,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HN           75 ILE  HN          4.50    (#    109:10  Unique         2.69, 2.88 A)
 &rst
  ixpk= 109, nxpk= 10, iat=1105,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LEU  HN           32 GLU  HN          4.50    (#    123:10  Preassigned    2.12, 2.27 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 471, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HN           71 PHE  HN          4.50    (#    139:10  Preassigned    4.54, 4.63 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLU  HN           39 LYS  HN          4.50    (#    156:10  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 601, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  HN           72 SER  HN          4.50    (#    163:10  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1059,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HN           38 GLU  HN          4.50    (#    175:10  Preassigned    2.34, 3.76 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           27 THR  HN          4.50    (#    192:10  Preassigned    1.97, 3.44 A)
 &rst
  ixpk= 192, nxpk= 10, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HN           31 GLY  HN          4.50    (#    198:10  Preassigned    2.93, 3.11 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 427, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HN           77 PHE  HN          4.50    (#    290:10  Preassigned    2.88, 3.03 A)
 &rst
  ixpk= 290, nxpk= 10, iat=1180,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HN           67 ALA  HN          3.50    (#    300:10  Preassigned    1.74, 1.90 A)
 &rst
  ixpk= 300, nxpk= 10, iat=1014,1004, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HN           54 VAL  HN          4.50    (#    346:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 346, nxpk= 10, iat= 824, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  HN           37 MET  HN          4.50    (#    378:10  Preassigned    2.23, 3.11 A)
 &rst
  ixpk= 378, nxpk= 10, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  HN           83 SER  HN          4.50    (#    391:10  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 391, nxpk= 10, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HN           70 ASP  HN          4.50    (#    401:10  Preassigned    3.63, 3.97 A)
 &rst
  ixpk= 401, nxpk= 10, iat=1090,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HN           74 PHE  HN          4.50    (#    403:10  Preassigned    2.21, 2.34 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1090,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HN           37 MET  HN          4.50    (#    456:10  Preassigned    2.34, 3.76 A)
 &rst
  ixpk= 456, nxpk= 10, iat= 564, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 SER  HN           71 PHE  HN          4.50    (#    461:10  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 461, nxpk= 10, iat=1079,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HN            6 ALA  HN          4.50    (#    484:10  Preassigned    2.13, 2.42 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  69,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 THR  HN           26 GLN  HN          6.00    (#    486:10  Preassigned    1.97, 3.44 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 380, 363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HN            6 ALA  HN          4.50    (#    499:10  Preassigned    2.13, 2.42 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  69,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  HN           74 PHE  HN          4.50    (#    501:10  Preassigned    2.69, 2.88 A)
 &rst
  ixpk= 501, nxpk= 10, iat=1125,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HN            4 LEU  HN          6.00    (#    503:10  Preassigned    2.21, 2.46 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  69,  50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HN            4 LEU  HN          6.00    (#    504:10  Preassigned    2.21, 2.46 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  69,  50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LYS  HN           50 ASP  HN          3.50    (#    507:10  Preassigned    3.04, 3.46 A)
 &rst
  ixpk= 507, nxpk= 10, iat= 730, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HN           78 VAL  HN          3.50    (#    509:10  Preassigned    2.88, 3.03 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1160,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 PHE  HN           90 GLU  HN          4.50    (#    536:10  Preassigned    2.59, 3.70 A)
 &rst
  ixpk= 536, nxpk= 10, iat=1341,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 SER  HN           82 THR  HN          4.50    (#    545:10  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 545, nxpk= 10, iat=1249,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HN           16 SER  HN          4.50    (#    548:10  Preassigned    2.50, 2.98 A)
 &rst
  ixpk= 548, nxpk= 10, iat= 211, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HN           39 LYS  HN          4.50    (#    572:10  Preassigned    3.01, 4.11 A)
 &rst
  ixpk= 572, nxpk= 10, iat= 616, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HN           40 GLU  HN          4.50    (#    577:10  Preassigned    2.13, 3.01 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 GLY  HN           19 SER  HN          3.50    (#    591:10  Preassigned    2.57, 2.82 A)
 &rst
  ixpk= 591, nxpk= 10, iat= 298, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 MET  HN            8 MET  HN          6.00    (#    621:10  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 621, nxpk= 10, iat= 128, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HN           16 SER  HN          4.50    (#    623:10  Preassigned    1.89, 3.24 A)
 &rst
  ixpk= 623, nxpk= 10, iat= 242, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  HN           62 ASP  HN          3.50    (#    649:10  Preassigned    3.07, 3.31 A)
 &rst
  ixpk= 649, nxpk= 10, iat= 961, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HN           29 THR  HN          6.00    (#    653:10  Preassigned    3.75, 4.05 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 456, 413, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 PHE  HN           43 GLY  HN          4.50    (#    665:10  Preassigned    2.73, 3.30 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 656, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HN           47 SER  HN          3.50    (#    677:10  Preassigned    1.76, 3.22 A)
 &rst
  ixpk= 677, nxpk= 10, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HN           62 ASP  HN          3.50    (#    691:10  Preassigned    1.97, 2.44 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 ASP  HN           65 GLY  HN          4.50    (#    700:10  Preassigned    1.80, 2.71 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 992, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASP  HN           61 LEU  HN          3.50    (#    761:10  Preassigned    1.97, 2.44 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 949, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HN           17 ARG  HN          3.50    (#    766:10  Double Ambig)
 &rst
  ixpk= 766, nxpk= 10, iat= 266, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  HN           63 ALA  HN          3.50    (#    767:10  Preassigned    3.07, 3.31 A)
 &rst
  ixpk= 767, nxpk= 10, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HN           58 LEU  HN          4.50    (#    781:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 781, nxpk= 10, iat= 858, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 VAL  HN           77 PHE  HN          4.50    (#    788:10  Preassigned    2.46, 2.57 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1144,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HE1          44 PHE  HN          6.00    (#    790:10  Preassigned    4.31, 4.99 A)
 &rst
  ixpk= 790, nxpk= 10, iat= 666, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HN           78 VAL  HN          6.00    (#    794:10  Preassigned    4.06, 4.31 A)
 &rst
  ixpk= 794, nxpk= 10, iat=1144,1180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          15 PHE  HN          6.00    (#    813:10  Preassigned    3.47, 4.07 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1115, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          78 VAL  HN          6.00    (#    816:10  Unique         4.85, 5.86 A)
 &rst
  ixpk= 816, nxpk= 10, iat=1115,1180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          74 PHE  HN          6.00    (#    817:10  Preassigned    6.45, 6.77 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1115,1105, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 LYS  HN           38 GLU  HN          4.50    (#    826:10  Preassigned    1.99, 3.05 A)
 &rst
  ixpk= 826, nxpk= 10, iat= 579, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HN           40 GLU  HN          4.50    (#    829:10  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 829, nxpk= 10, iat= 579, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 LEU  HN           56 LYS  HN          4.50    (#    895:10  Preassigned    2.15, 2.39 A)
 &rst
  ixpk= 895, nxpk= 10, iat= 858, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HA           70 ASP  HN          4.50    (#   1068:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 THR  HA           28 LEU  HN          3.50    (#   1069:10  Preassigned    2.44, 2.65 A)
 &rst
  ixpk= 1069, nxpk= 10, iat= 382, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 THR  HA           69 VAL  HN          4.50    (#   1070:10  Preassigned    3.37, 3.82 A)
 &rst
  ixpk= 1070, nxpk= 10, iat= 415,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HA           71 PHE  HN          3.50    (#   1071:10  Preassigned    2.23, 2.45 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=1049,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 THR  HA           30 LYS  HN          4.50    (#   1075:10  Preassigned    2.24, 2.39 A)
 &rst
  ixpk= 1075, nxpk= 10, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 THR  HB            3 GLU  HN          3.50    (#   1076:10  Preassigned    2.17, 3.37 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  25,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 THR  HB           30 LYS  HN          4.50    (#   1079:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 1079, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 THR  HA           27 THR  HN          4.50    (#   1199:10  Double Ambig)
 &rst
  ixpk= 1199, nxpk= 10, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HA           64 ASN  HN          4.50    (#   1202:10  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 1202, nxpk= 10, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLU  HA           40 GLU  HN          4.50    (#   1204:10  Preassigned    2.41, 2.75 A)
 &rst
  ixpk= 1204, nxpk= 10, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HA           65 GLY  HN          4.50    (#   1342:10  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 1342, nxpk= 10, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LEU  HA           95 LYS  HN          3.50    (#   1367:10  Preassigned    3.17, 3.32 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=1421,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HA           69 VAL  HN          3.50    (#   1382:10  Preassigned    2.47, 2.77 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HA           30 LYS  HN          4.50    (#   1388:10  Unique         4.13, 4.44 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=1016, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 THR  HA            3 GLU  HN          3.50    (#   1399:10  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  23,  35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HA           68 GLN  HN          6.00    (#   1402:10  Preassigned    5.01, 5.18 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=1033,1014, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 VAL  HA           69 VAL  HN          3.50    (#   1427:10  Preassigned    2.47, 2.77 A)
 &rst
  ixpk= 1427, nxpk= 10, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HA           60 ASP  HN          3.50    (#   1431:10  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 1431, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ALA  HA            7 ALA  HN          3.50    (#   1434:10  Preassigned    2.94, 2.97 A)
 &rst
  ixpk= 1434, nxpk= 10, iat=  96,  94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 HIS  HA           89 PHE  HN          3.50    (#   1445:10  Preassigned    3.10, 3.93 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=1283,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HA           61 LEU  HN          4.50    (#   1460:10  Preassigned    3.31, 3.37 A)
 &rst
  ixpk= 1460, nxpk= 10, iat= 920, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HA           60 ASP  HN          3.50    (#   1463:10  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 1463, nxpk= 10, iat= 920, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 MET  HA           11 ILE  HN          4.50    (#   1468:10  Preassigned    3.28, 3.57 A)
 &rst
  ixpk= 1468, nxpk= 10, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HA           10 MET  HN          3.50    (#   1472:10  Preassigned    2.82, 2.87 A)
 &rst
  ixpk= 1472, nxpk= 10, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ALA  HA           63 ALA  HN          3.50    (#   1480:10  Preassigned    2.65, 2.78 A)
 &rst
  ixpk= 1480, nxpk= 10, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ALA  HA            7 ALA  HN          3.50    (#   1487:10  Preassigned    2.05, 3.04 A)
 &rst
  ixpk= 1487, nxpk= 10, iat=  86,  94, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  HA           67 ALA  HN          4.50    (#   1496:10  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ALA  HA           84 ALA  HN          4.50    (#   1521:10  Preassigned    2.83, 2.91 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 LEU  HA           58 LEU  HN          3.50    (#   1527:10  Preassigned    3.20, 3.42 A)
 &rst
  ixpk= 1527, nxpk= 10, iat= 860, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HA           57 LEU  HN          3.50    (#   1536:10  Preassigned    2.89, 2.94 A)
 &rst
  ixpk= 1536, nxpk= 10, iat= 860, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 THR  HB           69 VAL  HN          6.00    (#   1543:10  Preassigned    3.29, 3.74 A)
 &rst
  ixpk= 1543, nxpk= 10, iat= 384,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 LYS  HA           57 LEU  HN          3.50    (#   1544:10  Preassigned    3.19, 3.44 A)
 &rst
  ixpk= 1544, nxpk= 10, iat= 838, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HA           59 LYS  HN          4.50    (#   1549:10  Preassigned    4.06, 4.79 A)
 &rst
  ixpk= 1549, nxpk= 10, iat= 860, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HA           45 LEU  HN          3.50    (#   1550:10  Preassigned    4.12, 4.76 A)
 &rst
  ixpk= 1550, nxpk= 10, iat= 645, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ALA  HA            6 ALA  HN          3.50    (#   1552:10  Preassigned    2.33, 2.79 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  86,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           49 LYS  HN          4.50    (#   1564:10  Preassigned    2.20, 2.51 A)
 &rst
  ixpk= 1564, nxpk= 10, iat= 732, 730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  HA           74 PHE  HN          4.50    (#   1571:10  Preassigned    2.70, 2.82 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLU  HA            4 LEU  HN          4.50    (#   1577:10  Preassigned    3.43, 3.54 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=  37,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  HB           83 SER  HN          4.50    (#   1581:10  Preassigned    2.55, 3.53 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=1239,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 GLU  HA           90 GLU  HN          3.50    (#   1583:10  Preassigned    2.88, 2.93 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 VAL  HA           36 LEU  HN          3.50    (#   1605:10  Preassigned    3.32, 3.40 A)
 &rst
  ixpk= 1605, nxpk= 10, iat= 514, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HA           60 ASP  HN          3.50    (#   1609:10  Preassigned    3.52, 3.56 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 898, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 THR  HB           28 LEU  HN          3.50    (#   1611:10  Preassigned    2.18, 2.32 A)
 &rst
  ixpk= 1611, nxpk= 10, iat= 384, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ALA  HA           57 LEU  HN          3.50    (#   1614:10  Preassigned    2.48, 3.40 A)
 &rst
  ixpk= 1614, nxpk= 10, iat= 800, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           50 ASP  HN          3.50    (#   1618:10  Preassigned    2.02, 2.09 A)
 &rst
  ixpk= 1618, nxpk= 10, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HA           59 LYS  HN          3.50    (#   1631:10  Preassigned    2.52, 2.75 A)
 &rst
  ixpk= 1631, nxpk= 10, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HA           45 LEU  HN          3.50    (#   1632:10  Preassigned    2.75, 2.93 A)
 &rst
  ixpk= 1632, nxpk= 10, iat= 678, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 GLY  QA           90 GLU  HN          3.50    (#   1648:10  Double Ambig)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1414,1415,
 &end
#
#   80 ALA  HA           80 ALA  HN          3.50    (#   1649:10  Preassigned    2.93, 2.96 A)
 &rst
  ixpk= 1649, nxpk= 10, iat=1208,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 GLY  QA           22 GLU  HN          4.50    (#   1652:10  Preassigned    3.00, 4.96 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 300, 301,
 &end
#
#   58 LEU  HA           61 LEU  HN          3.50    (#   1660:10  Preassigned    3.68, 4.00 A)
 &rst
  ixpk= 1660, nxpk= 10, iat= 879, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HA           25 THR  HN          3.50    (#   1687:10  Preassigned    2.13, 4.11 A)
 &rst
  ixpk= 1687, nxpk= 10, iat= 365, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  HA           21 SER  HN          3.50    (#   1693:10  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 1693, nxpk= 10, iat= 307, 305, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  HA           62 ASP  HN          3.50    (#   1694:10  Preassigned    2.48, 2.67 A)
 &rst
  ixpk= 1694, nxpk= 10, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HA            2 THR  HN          4.50    (#   1697:10  Preassigned    2.28, 2.60 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HA           56 LYS  HN          4.50    (#   1714:10  Preassigned    3.47, 3.50 A)
 &rst
  ixpk= 1714, nxpk= 10, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  HA           64 ASN  HN          3.50    (#   1716:10  Preassigned    3.45, 3.48 A)
 &rst
  ixpk= 1716, nxpk= 10, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HA           38 GLU  HN          4.50    (#   1719:10  Preassigned    2.24, 4.22 A)
 &rst
  ixpk= 1719, nxpk= 10, iat= 581, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HA           39 LYS  HN          3.50    (#   1723:10  Preassigned    2.29, 2.71 A)
 &rst
  ixpk= 1723, nxpk= 10, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ALA  HA           85 SER  HN          4.50    (#   1731:10  Preassigned    3.29, 3.49 A)
 &rst
  ixpk= 1731, nxpk= 10, iat=1262,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 THR  HB           68 GLN  HE22        6.00    (#   1737:10  Preassigned    5.67, 6.10 A)
 &rst
  ixpk= 1737, nxpk= 10, iat= 353,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 LEU  HA           56 LYS  HN          4.50    (#   1739:10  Preassigned    4.75, 5.03 A)
 &rst
  ixpk= 1739, nxpk= 10, iat= 860, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HA           46 GLN  HN          3.50    (#   1748:10  Preassigned    2.19, 2.36 A)
 &rst
  ixpk= 1748, nxpk= 10, iat= 697, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 THR  HB           82 THR  HN          4.50    (#   1752:10  Preassigned    2.09, 2.81 A)
 &rst
  ixpk= 1752, nxpk= 10, iat=1239,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HA           19 SER  HN          3.50    (#   1755:10  Preassigned    2.74, 2.86 A)
 &rst
  ixpk= 1755, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ALA  HA            8 MET  HN          6.00    (#   1756:10  Preassigned    3.81, 4.86 A)
 &rst
  ixpk= 1756, nxpk= 10, iat=  86, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HA           18 TYR  HN          3.50    (#   1775:10  Preassigned    3.27, 3.48 A)
 &rst
  ixpk= 1775, nxpk= 10, iat= 244, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 SER  QB           47 SER  HN          3.50    (#   1778:10  Preassigned    2.38, 2.86 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   48 GLY  QA           47 SER  HN          3.50    (#   1779:10  Preassigned    2.15, 3.34 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 725, 726,
 &end
#
#   19 SER  HA           19 SER  HN          3.50    (#   1785:10  Preassigned    2.74, 2.86 A)
 &rst
  ixpk= 1785, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 GLY  QA           16 SER  HN          4.50    (#   1787:10  Unique         1.85, 4.40 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 300, 301,
 &end
#
#   53 ALA  HA           56 LYS  HN          4.50    (#   1793:10  Unique         2.84, 3.13 A)
 &rst
  ixpk= 1793, nxpk= 10, iat= 800, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ALA  HA           82 THR  HN          4.50    (#   1794:10  Preassigned    4.15, 4.43 A)
 &rst
  ixpk= 1794, nxpk= 10, iat=1208,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HA           46 GLN  HN          3.50    (#   1802:10  Double Ambig)
 &rst
  ixpk= 1802, nxpk= 10, iat= 678, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 SER  HB2          24 SER  HN          3.50    (#   1805:10  Preassigned    2.51, 3.08 A)
 &rst
  ixpk= 1805, nxpk= 10, iat= 342, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  QB           21 SER  HN          3.50    (#   1806:10  Preassigned    3.06, 3.64 A)
 &rst
  ixpk= 1806, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 310,
 &end
#
#   24 SER  HA           23 GLY  HN          3.50    (#   1832:10  Preassigned    3.63, 3.76 A)
 &rst
  ixpk= 1832, nxpk= 10, iat= 340, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 GLY  QA           20 GLY  HN          3.50    (#   1836:10  Preassigned    2.26, 2.57 A)
 &rst
  ixpk= 1836, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 300, 301,
 &end
#
#   23 GLY  HA2          23 GLY  HN          3.50    (#   1839:10  Preassigned    2.57, 2.78 A)
 &rst
  ixpk= 1839, nxpk= 10, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 GLY  QA           44 PHE  HN          3.50    (#   1847:10  Preassigned    2.35, 3.39 A)
 &rst
  ixpk= 1847, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 651, 652,
 &end
#
#    9 GLY  HA2          11 ILE  HN          4.50    (#   1850:10  Preassigned    3.16, 4.30 A)
 &rst
  ixpk= 1850, nxpk= 10, iat= 123, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LEU  HA           59 LYS  HN          3.50    (#   1851:10  Preassigned    3.53, 3.59 A)
 &rst
  ixpk= 1851, nxpk= 10, iat= 879, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HA           57 LEU  HN          4.50    (#   1855:10  Preassigned    3.11, 3.66 A)
 &rst
  ixpk= 1855, nxpk= 10, iat= 810, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 LYS  HA           60 ASP  HN          3.50    (#   1857:10  Preassigned    3.52, 3.56 A)
 &rst
  ixpk= 1857, nxpk= 10, iat= 898, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HA           36 LEU  HN          4.50    (#   1858:10  Preassigned    3.56, 3.87 A)
 &rst
  ixpk= 1858, nxpk= 10, iat= 473, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HA           77 PHE  HN          4.50    (#   1859:10  Preassigned    3.88, 4.19 A)
 &rst
  ixpk= 1859, nxpk= 10, iat=1092,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LEU  HA           58 LEU  HN          3.50    (#   1861:10  Preassigned    2.40, 2.73 A)
 &rst
  ixpk= 1861, nxpk= 10, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HA           61 LEU  HN          3.50    (#   1862:10  Preassigned    2.09, 2.79 A)
 &rst
  ixpk= 1862, nxpk= 10, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 GLY  QA           90 GLU  HN          3.50    (#   1866:10  Double Ambig)
 &rst
  ixpk= 1866, nxpk= 10, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1414,1415,
 &end
#
#   65 GLY  QA           67 ALA  HN          4.50    (#   1867:10  Preassigned    5.03, 6.37 A)
 &rst
  ixpk= 1867, nxpk= 10, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 987, 988,
 &end
#
#   33 LEU  HA           33 LEU  HN          4.50    (#   1870:10  Preassigned    2.74, 2.81 A)
 &rst
  ixpk= 1870, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HA           73 GLU  HN          3.50    (#   1871:10  Preassigned    2.91, 2.96 A)
 &rst
  ixpk= 1871, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HA           74 PHE  HN          4.50    (#   1883:10  Preassigned    3.49, 3.51 A)
 &rst
  ixpk= 1883, nxpk= 10, iat=1092,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 GLY  QA           46 GLN  HN          3.50    (#   1894:10  Preassigned    2.51, 4.39 A)
 &rst
  ixpk= 1894, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 651, 652,
 &end
#
#    9 GLY  HA3          11 ILE  HN          4.50    (#   1916:10  Preassigned    3.16, 4.50 A)
 &rst
  ixpk= 1916, nxpk= 10, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ALA  HA           81 ILE  HN          3.50    (#   1920:10  Preassigned    3.50, 3.59 A)
 &rst
  ixpk= 1920, nxpk= 10, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  QB           22 GLU  HN          3.50    (#   1924:10  Double Ambig)
 &rst
  ixpk= 1924, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 310,
 &end
#
#    9 GLY  HA3          10 MET  HN          3.50    (#   1929:10  Preassigned    2.87, 3.25 A)
 &rst
  ixpk= 1929, nxpk= 10, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLY  HA3          13 ASP  HN          6.00    (#   1947:10  Preassigned    3.84, 4.60 A)
 &rst
  ixpk= 1947, nxpk= 10, iat= 124, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ILE  HA           84 ALA  HN          4.50    (#   1948:10  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 1948, nxpk= 10, iat=1218,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HA           81 ILE  HN          4.50    (#   1953:10  Preassigned    2.86, 2.88 A)
 &rst
  ixpk= 1953, nxpk= 10, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  HA           11 ILE  HN          4.50    (#   1962:10  Preassigned    2.72, 2.90 A)
 &rst
  ixpk= 1962, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HA           37 MET  HN          4.50    (#   1964:10  Preassigned    2.09, 2.59 A)
 &rst
  ixpk= 1964, nxpk= 10, iat= 549, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HA           15 PHE  HN          3.50    (#   1972:10  Preassigned    2.84, 3.34 A)
 &rst
  ixpk= 1972, nxpk= 10, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LYS  HA           37 MET  HN          4.50    (#   1987:10  Preassigned    3.16, 4.07 A)
 &rst
  ixpk= 1987, nxpk= 10, iat= 492, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  HA           11 ILE  HN          4.50    (#   1991:10  Preassigned    2.72, 2.90 A)
 &rst
  ixpk= 1991, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HA            5 GLU  HN          4.50    (#   1997:10  Preassigned    2.89, 2.94 A)
 &rst
  ixpk= 1997, nxpk= 10, iat=  71,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HD2          41 LEU  HN          4.50    (#   2003:10  Preassigned    3.28, 3.90 A)
 &rst
  ixpk= 2003, nxpk= 10, iat= 636, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HB2          70 ASP  HN          4.50    (#   2006:10  Preassigned    2.27, 2.52 A)
 &rst
  ixpk= 2006, nxpk= 10, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  HA           71 PHE  HN          3.50    (#   2007:10  Preassigned    2.75, 2.83 A)
 &rst
  ixpk= 2007, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HB2          74 PHE  HN          3.50    (#   2012:10  Preassigned    2.22, 2.53 A)
 &rst
  ixpk= 2012, nxpk= 10, iat=1109,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HA           62 ASP  HN          3.50    (#   2021:10  Preassigned    2.31, 3.34 A)
 &rst
  ixpk= 2021, nxpk= 10, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LYS  HA           56 LYS  HN          3.50    (#   2028:10  Preassigned    2.88, 2.95 A)
 &rst
  ixpk= 2028, nxpk= 10, iat= 838, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLY  QA           66 ASP  HN          3.50    (#   2029:10  Preassigned    2.36, 3.13 A)
 &rst
  ixpk= 2029, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#   24 SER  HB2          25 THR  HN          3.50    (#   2039:10  Preassigned    1.83, 3.16 A)
 &rst
  ixpk= 2039, nxpk= 10, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 SER  HB2          68 GLN  HE22        6.00    (#   2041:10  Preassigned    4.35, 4.92 A)
 &rst
  ixpk= 2041, nxpk= 10, iat= 342,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 LEU  HA           64 ASN  HN          3.50    (#   2043:10  Preassigned    4.05, 4.25 A)
 &rst
  ixpk= 2043, nxpk= 10, iat= 932, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLY  HA3          27 THR  HN          6.00    (#   2052:10  Unique         4.69, 6.27 A)
 &rst
  ixpk= 2052, nxpk= 10, iat= 334, 380, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 SER  HB3          24 SER  HN          3.50    (#   2054:10  Preassigned    2.45, 3.07 A)
 &rst
  ixpk= 2054, nxpk= 10, iat= 343, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HA           38 GLU  HN          3.50    (#   2057:10  Preassigned    2.14, 2.73 A)
 &rst
  ixpk= 2057, nxpk= 10, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HA           39 LYS  HN          4.50    (#   2064:10  Preassigned    3.07, 3.36 A)
 &rst
  ixpk= 2064, nxpk= 10, iat= 566, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 GLY  QA           21 SER  HN          3.50    (#   2066:10  Preassigned    2.94, 3.26 A)
 &rst
  ixpk= 2066, nxpk= 10, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 300, 301,
 &end
#
#   81 ILE  HA           85 SER  HN          4.50    (#   2073:10  Preassigned    3.20, 3.88 A)
 &rst
  ixpk= 2073, nxpk= 10, iat=1218,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HA           38 GLU  HN          3.50    (#   2074:10  Preassigned    3.23, 3.44 A)
 &rst
  ixpk= 2074, nxpk= 10, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ILE  HA           82 THR  HN          3.50    (#   2083:10  Preassigned    3.49, 3.52 A)
 &rst
  ixpk= 2083, nxpk= 10, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 PHE  HA           16 SER  HN          4.50    (#   2094:10  Preassigned    2.23, 2.98 A)
 &rst
  ixpk= 2094, nxpk= 10, iat= 213, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HB2          19 SER  HN          4.50    (#   2095:10  Preassigned    2.35, 3.07 A)
 &rst
  ixpk= 2095, nxpk= 10, iat= 291, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  HA           72 SER  HN          4.50    (#   2100:10  Preassigned    3.49, 3.54 A)
 &rst
  ixpk= 2100, nxpk= 10, iat=1061,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 GLY  QA           48 GLY  HN          3.50    (#   2101:10  Preassigned    2.20, 2.60 A)
 &rst
  ixpk= 2101, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 725, 726,
 &end
#
#   65 GLY  QA           65 GLY  HN          3.50    (#   2102:10  Preassigned    2.44, 2.81 A)
 &rst
  ixpk= 2102, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 987, 988,
 &end
#
#   23 GLY  HA3          23 GLY  HN          3.50    (#   2105:10  Preassigned    2.69, 2.85 A)
 &rst
  ixpk= 2105, nxpk= 10, iat= 334, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HA           31 GLY  HN          3.50    (#   2110:10  Preassigned    3.51, 3.57 A)
 &rst
  ixpk= 2110, nxpk= 10, iat= 429, 449, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ILE  HA           75 ILE  HN          3.50    (#   2135:10  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 2135, nxpk= 10, iat=1127,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ILE  HA           76 VAL  HN          3.50    (#   2139:10  Preassigned    3.47, 3.52 A)
 &rst
  ixpk= 2139, nxpk= 10, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 PHE  HB2          15 PHE  HN          4.50    (#   2140:10  Preassigned    2.55, 3.08 A)
 &rst
  ixpk= 2140, nxpk= 10, iat= 215, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 PHE  HB2          74 PHE  HN          4.50    (#   2154:10  Preassigned    4.73, 5.37 A)
 &rst
  ixpk= 2154, nxpk= 10, iat=1164,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  QB           44 PHE  HN          3.50    (#   2155:10  Preassigned    2.13, 2.93 A)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 660, 661,
 &end
#
#   44 PHE  QB           45 LEU  HN          4.50    (#   2159:10  Preassigned    2.23, 3.51 A)
 &rst
  ixpk= 2159, nxpk= 10, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 660, 661,
 &end
#
#   74 PHE  HB3          75 ILE  HN          3.50    (#   2167:10  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HB3          78 VAL  HN          3.50    (#   2168:10  Preassigned    2.25, 2.96 A)
 &rst
  ixpk= 2168, nxpk= 10, iat=1165,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HB3          74 PHE  HN          3.50    (#   2173:10  Preassigned    2.17, 2.35 A)
 &rst
  ixpk= 2173, nxpk= 10, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HB2          77 PHE  HN          3.50    (#   2174:10  Preassigned    2.15, 2.61 A)
 &rst
  ixpk= 2174, nxpk= 10, iat=1164,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HB2          13 ASP  HN          3.50    (#   2193:10  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 2193, nxpk= 10, iat= 187, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 ASP  HB2          51 LYS  HN          4.50    (#   2195:10  Preassigned    3.24, 3.92 A)
 &rst
  ixpk= 2195, nxpk= 10, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HB2          60 ASP  HN          3.50    (#   2198:10  Preassigned    2.20, 2.41 A)
 &rst
  ixpk= 2198, nxpk= 10, iat= 922, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HB3          60 ASP  HN          3.50    (#   2205:10  Preassigned    2.27, 3.31 A)
 &rst
  ixpk= 2205, nxpk= 10, iat= 923, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HB3          11 ILE  HN          4.50    (#   2207:10  Preassigned    3.91, 4.83 A)
 &rst
  ixpk= 2207, nxpk= 10, iat= 188, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 ASP  HB2          50 ASP  HN          3.50    (#   2209:10  Preassigned    2.11, 2.98 A)
 &rst
  ixpk= 2209, nxpk= 10, iat= 756, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASP  HB2          61 LEU  HN          4.50    (#   2210:10  Preassigned    2.11, 3.13 A)
 &rst
  ixpk= 2210, nxpk= 10, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  QB           11 ILE  HN          3.50    (#   2214:10  Preassigned    3.25, 3.90 A)
 &rst
  ixpk= 2214, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 132, 133,
 &end
#
#   15 PHE  HB3          15 PHE  HN          3.50    (#   2216:10  Preassigned    2.23, 2.45 A)
 &rst
  ixpk= 2216, nxpk= 10, iat= 216, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 MET  QB           10 MET  HN          3.50    (#   2219:10  Preassigned    1.99, 2.62 A)
 &rst
  ixpk= 2219, nxpk= 10, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 132, 133,
 &end
#
#   55 ASP  HB2          51 LYS  HN          4.50    (#   2234:10  Preassigned    4.28, 4.83 A)
 &rst
  ixpk= 2234, nxpk= 10, iat= 828, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HG2           6 ALA  HN          4.50    (#   2240:10  Preassigned    2.37, 4.18 A)
 &rst
  ixpk= 2240, nxpk= 10, iat=  76,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HB2          55 ASP  HN          3.50    (#   2246:10  Preassigned    2.24, 3.01 A)
 &rst
  ixpk= 2246, nxpk= 10, iat= 828, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 ASP  HB3          67 ALA  HN          4.50    (#   2253:10  Preassigned    1.88, 2.20 A)
 &rst
  ixpk= 2253, nxpk= 10, iat= 997,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  QB           71 PHE  HN          3.50    (#   2257:10  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 2257, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1063,1064,
 &end
#
#   50 ASP  HB3          50 ASP  HN          3.50    (#   2259:10  Preassigned    2.48, 2.69 A)
 &rst
  ixpk= 2259, nxpk= 10, iat= 757, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HG2           5 GLU  HN          4.50    (#   2260:10  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 2260, nxpk= 10, iat=  76,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HG2           6 ALA  HN          4.50    (#   2271:10  Preassigned    2.37, 4.18 A)
 &rst
  ixpk= 2271, nxpk= 10, iat=  76,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HG2           5 GLU  HN          4.50    (#   2275:10  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 2275, nxpk= 10, iat=  76,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 ASP  HB3          51 LYS  HN          4.50    (#   2276:10  Preassigned    3.62, 3.95 A)
 &rst
  ixpk= 2276, nxpk= 10, iat= 757, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HG2          10 MET  HN          3.50    (#   2279:10  Preassigned    3.79, 4.09 A)
 &rst
  ixpk= 2279, nxpk= 10, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HG2          73 GLU  HN          3.50    (#   2282:10  Preassigned    2.95, 3.30 A)
 &rst
  ixpk= 2282, nxpk= 10, iat=1097,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HG3          11 ILE  HN          4.50    (#   2284:10  Preassigned    4.02, 4.95 A)
 &rst
  ixpk= 2284, nxpk= 10, iat= 112, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HD3          16 SER  HN          4.50    (#   2285:10  Preassigned    5.13, 6.88 A)
 &rst
  ixpk= 2285, nxpk= 10, iat= 253, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HB2          64 ASN  HN          3.50    (#   2294:10  Preassigned    2.03, 3.18 A)
 &rst
  ixpk= 2294, nxpk= 10, iat= 975, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HB3          19 SER  HN          4.50    (#   2301:10  Preassigned    2.09, 2.60 A)
 &rst
  ixpk= 2301, nxpk= 10, iat= 292, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB3          16 SER  HN          4.50    (#   2302:10  Preassigned    2.41, 3.36 A)
 &rst
  ixpk= 2302, nxpk= 10, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 TYR  HB2          18 TYR  HN          3.50    (#   2304:10  Preassigned    2.05, 2.98 A)
 &rst
  ixpk= 2304, nxpk= 10, iat= 270, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB2          56 LYS  HN          4.50    (#   2305:10  Preassigned    2.11, 2.71 A)
 &rst
  ixpk= 2305, nxpk= 10, iat= 828, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HB3          66 ASP  HN          3.50    (#   2309:10  Preassigned    2.75, 2.95 A)
 &rst
  ixpk= 2309, nxpk= 10, iat= 997, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  QB           62 ASP  HN          3.50    (#   2315:10  Preassigned    1.98, 2.74 A)
 &rst
  ixpk= 2315, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#    8 MET  HG2           8 MET  HN          4.50    (#   2317:10  Preassigned    4.31, 4.42 A)
 &rst
  ixpk= 2317, nxpk= 10, iat= 111, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  QB           72 SER  HN          4.50    (#   2323:10  Preassigned    3.29, 3.99 A)
 &rst
  ixpk= 2323, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1063,1064,
 &end
#
#   64 ASN  HB3          64 ASN  HN          3.50    (#   2329:10  Preassigned    1.96, 2.32 A)
 &rst
  ixpk= 2329, nxpk= 10, iat= 976, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  QG           39 LYS  HN          4.50    (#   2335:10  Preassigned    4.75, 5.25 A)
 &rst
  ixpk= 2335, nxpk= 10, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 571, 572,
 &end
#
#   17 ARG  HB3          19 SER  HN          6.00    (#   2337:10  Preassigned    5.49, 6.17 A)
 &rst
  ixpk= 2337, nxpk= 10, iat= 247, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 TYR  HB3          18 TYR  HN          3.50    (#   2338:10  Preassigned    2.15, 2.70 A)
 &rst
  ixpk= 2338, nxpk= 10, iat= 271, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  QG           38 GLU  HN          3.50    (#   2340:10  Preassigned    2.10, 3.27 A)
 &rst
  ixpk= 2340, nxpk= 10, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 571, 572,
 &end
#
#   40 GLU  QG           39 LYS  HN          4.50    (#   2342:10  Preassigned    4.16, 5.51 A)
 &rst
  ixpk= 2342, nxpk= 10, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 608, 609,
 &end
#
#    8 MET  HG2           9 GLY  HN          6.00    (#   2347:10  Preassigned    1.65, 3.62 A)
 &rst
  ixpk= 2347, nxpk= 10, iat= 111, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 MET  HG3           9 GLY  HN          6.00    (#   2348:10  Preassigned    2.51, 3.60 A)
 &rst
  ixpk= 2348, nxpk= 10, iat= 112, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ASN  HB3          65 GLY  HN          6.00    (#   2349:10  Preassigned    3.70, 4.29 A)
 &rst
  ixpk= 2349, nxpk= 10, iat= 976, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 MET  HG2           9 GLY  HN          6.00    (#   2350:10  Preassigned    5.24, 6.36 A)
 &rst
  ixpk= 2350, nxpk= 10, iat= 135, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 GLU  HG3           3 GLU  HN          4.50    (#   2367:10  Preassigned    3.24, 3.50 A)
 &rst
  ixpk= 2367, nxpk= 10, iat=  43,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HB           14 VAL  HN          3.50    (#   2371:10  Preassigned    2.14, 2.33 A)
 &rst
  ixpk= 2371, nxpk= 10, iat= 199, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HG2          68 GLN  HN          3.50    (#   2373:10  Preassigned    3.60, 3.92 A)
 &rst
  ixpk= 2373, nxpk= 10, iat=1021,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  QG           32 GLU  HN          3.50    (#   2374:10  Preassigned    2.33, 4.00 A)
 &rst
  ixpk= 2374, nxpk= 10, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
#   68 GLN  HG3          67 ALA  HN          4.50    (#   2375:10  Preassigned    4.47, 4.90 A)
 &rst
  ixpk= 2375, nxpk= 10, iat=1022,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HG3          36 LEU  HN          4.50    (#   2380:10  Preassigned    3.85, 4.87 A)
 &rst
  ixpk= 2380, nxpk= 10, iat= 555, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HB           15 PHE  HN          3.50    (#   2383:10  Preassigned    2.86, 3.61 A)
 &rst
  ixpk= 2383, nxpk= 10, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 MET  HG3          37 MET  HN          3.50    (#   2389:10  Preassigned    2.87, 3.59 A)
 &rst
  ixpk= 2389, nxpk= 10, iat= 555, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 GLU  HG3          90 GLU  HN          4.50    (#   2393:10  Preassigned    3.58, 4.40 A)
 &rst
  ixpk= 2393, nxpk= 10, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HB           55 ASP  HN          3.50    (#   2399:10  Preassigned    1.90, 3.07 A)
 &rst
  ixpk= 2399, nxpk= 10, iat= 812, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 GLU  HG2          91 LYS  HN          3.50    (#   2407:10  Preassigned    3.45, 3.67 A)
 &rst
  ixpk= 2407, nxpk= 10, iat=1368,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HB           54 VAL  HN          4.50    (#   2414:10  Preassigned    2.35, 2.47 A)
 &rst
  ixpk= 2414, nxpk= 10, iat= 812, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HG3          73 GLU  HN          3.50    (#   2418:10  Preassigned    1.95, 2.22 A)
 &rst
  ixpk= 2418, nxpk= 10, iat=1098,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#   2419:10  Preassigned    2.17, 2.49 A)
 &rst
  ixpk= 2419, nxpk= 10, iat=1035,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  QG           22 GLU  HN          3.50    (#   2420:10  Preassigned    2.13, 3.40 A)
 &rst
  ixpk= 2420, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 323, 324,
 &end
#
#   69 VAL  HB           28 LEU  HN          4.50    (#   2424:10  Preassigned    2.10, 2.68 A)
 &rst
  ixpk= 2424, nxpk= 10, iat=1035, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HG3          11 ILE  HN          3.50    (#   2425:10  Preassigned    2.55, 3.30 A)
 &rst
  ixpk= 2425, nxpk= 10, iat= 136, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 MET  HG3           7 ALA  HN          4.50    (#   2429:10  Preassigned    5.36, 5.93 A)
 &rst
  ixpk= 2429, nxpk= 10, iat= 136,  94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  HB           11 ILE  HN          3.50    (#   2433:10  Preassigned    2.75, 3.24 A)
 &rst
  ixpk= 2433, nxpk= 10, iat= 149, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLU  QB            5 GLU  HN          4.50    (#   2434:10  Preassigned    3.83, 4.82 A)
 &rst
  ixpk= 2434, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  39,  40,
 &end
#
#    5 GLU  HB2           6 ALA  HN          3.50    (#   2435:10  Preassigned    1.88, 2.90 A)
 &rst
  ixpk= 2435, nxpk= 10, iat=  73,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HB2          33 LEU  HN          3.50    (#   2436:10  Preassigned    2.10, 2.60 A)
 &rst
  ixpk= 2436, nxpk= 10, iat= 475, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HB2          74 PHE  HN          3.50    (#   2437:10  Preassigned    2.37, 2.51 A)
 &rst
  ixpk= 2437, nxpk= 10, iat=1094,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLU  HG2           3 GLU  HN          4.50    (#   2440:10  Preassigned    2.23, 2.54 A)
 &rst
  ixpk= 2440, nxpk= 10, iat=  42,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLU  QB            4 LEU  HN          3.50    (#   2451:10  Preassigned    3.03, 3.70 A)
 &rst
  ixpk= 2451, nxpk= 10, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  40,
 &end
#
#   10 MET  HG3          10 MET  HN          3.50    (#   2457:10  Preassigned    3.57, 3.98 A)
 &rst
  ixpk= 2457, nxpk= 10, iat= 136, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HB2          22 GLU  HN          3.50    (#   2468:10  Preassigned    2.79, 3.56 A)
 &rst
  ixpk= 2468, nxpk= 10, iat= 320, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HB3          63 ALA  HN          3.50    (#   2478:10  Preassigned    4.58, 5.00 A)
 &rst
  ixpk= 2478, nxpk= 10, iat=1095, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LYS  HB2          34 LYS  HN          3.50    (#   2481:10  Preassigned    2.44, 2.99 A)
 &rst
  ixpk= 2481, nxpk= 10, iat= 494, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  QB           32 GLU  HN          4.50    (#   2482:10  Preassigned    2.12, 2.72 A)
 &rst
  ixpk= 2482, nxpk= 10, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 460, 461,
 &end
#
#   73 GLU  HB3          73 GLU  HN          3.50    (#   2483:10  Preassigned    3.53, 3.61 A)
 &rst
  ixpk= 2483, nxpk= 10, iat=1095,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 VAL  HB           76 VAL  HN          3.50    (#   2485:10  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 2485, nxpk= 10, iat=1148,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HB3          74 PHE  HN          4.50    (#   2488:10  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 2488, nxpk= 10, iat=1095,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 GLU  HB2          90 GLU  HN          3.50    (#   2496:10  Preassigned    2.09, 2.86 A)
 &rst
  ixpk= 2496, nxpk= 10, iat=1365,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 VAL  HB           77 PHE  HN          3.50    (#   2506:10  Preassigned    2.69, 2.84 A)
 &rst
  ixpk= 2506, nxpk= 10, iat=1148,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  QB           68 GLN  HN          3.50    (#   2509:10  Preassigned    2.26, 2.95 A)
 &rst
  ixpk= 2509, nxpk= 10, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1018,1019,
 &end
#
#   30 LYS  HB2          30 LYS  HN          4.50    (#   2513:10  Preassigned    2.35, 2.49 A)
 &rst
  ixpk= 2513, nxpk= 10, iat= 431, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  QB           51 LYS  HN          3.50    (#   2521:10  Preassigned    3.15, 4.44 A)
 &rst
  ixpk= 2521, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 734, 735,
 &end
#
#   73 GLU  HB3          63 ALA  HN          3.50    (#   2522:10  Preassigned    4.95, 5.46 A)
 &rst
  ixpk= 2522, nxpk= 10, iat=1095, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  QB           59 LYS  HN          3.50    (#   2526:10  Preassigned    2.27, 3.05 A)
 &rst
  ixpk= 2526, nxpk= 10, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#   58 LEU  HB2          58 LEU  HN          3.50    (#   2528:10  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 2528, nxpk= 10, iat= 881, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HB3          22 GLU  HN          3.50    (#   2532:10  Preassigned    2.09, 2.79 A)
 &rst
  ixpk= 2532, nxpk= 10, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HB3          17 ARG  HN          3.50    (#   2536:10  Preassigned    3.19, 3.50 A)
 &rst
  ixpk= 2536, nxpk= 10, iat= 247, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  QB           60 ASP  HN          3.50    (#   2541:10  Preassigned    2.44, 3.01 A)
 &rst
  ixpk= 2541, nxpk= 10, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#   37 MET  QB           41 LEU  HN          3.50    (#   2561:10  Preassigned    4.31, 5.31 A)
 &rst
  ixpk= 2561, nxpk= 10, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 551, 552,
 &end
#
#   56 LYS  QB           57 LEU  HN          3.50    (#   2565:10  Preassigned    2.79, 3.59 A)
 &rst
  ixpk= 2565, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 840, 841,
 &end
#
#    5 GLU  HB3           5 GLU  HN          3.50    (#   2575:10  Preassigned    4.29, 5.58 A)
 &rst
  ixpk= 2575, nxpk= 10, iat=  74,  69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LYS  QB           54 VAL  HN          4.50    (#   2576:10  Preassigned    3.68, 5.40 A)
 &rst
  ixpk= 2576, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 841,
 &end
#
#   12 ILE  HB           13 ASP  HN          3.50    (#   2580:10  Preassigned    2.92, 3.22 A)
 &rst
  ixpk= 2580, nxpk= 10, iat= 168, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LEU  HB2          37 MET  HN          3.50    (#   2585:10  Preassigned    2.21, 3.36 A)
 &rst
  ixpk= 2585, nxpk= 10, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HG           57 LEU  HN          3.50    (#   2592:10  Preassigned    2.40, 3.49 A)
 &rst
  ixpk= 2592, nxpk= 10, iat= 865, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LYS  HB3          34 LYS  HN          3.50    (#   2594:10  Preassigned    2.14, 2.23 A)
 &rst
  ixpk= 2594, nxpk= 10, iat= 495, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ALA  QB            7 ALA  HN          3.50    (#   2605:10  Preassigned    2.47, 3.14 A)
 &rst
  ixpk= 2605, nxpk= 10, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  98,  99, 100,
 &end
#
#   91 LYS  HB3          89 PHE  HN          3.50    (#   2607:10  Preassigned    2.70, 3.89 A)
 &rst
  ixpk= 2607, nxpk= 10, iat=1381,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HG           58 LEU  HN          4.50    (#   2623:10  Preassigned    4.14, 4.47 A)
 &rst
  ixpk= 2623, nxpk= 10, iat= 865, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HB2          45 LEU  HN          3.50    (#   2624:10  Preassigned    2.33, 2.47 A)
 &rst
  ixpk= 2624, nxpk= 10, iat= 680, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLN  QG           46 GLN  HN          3.50    (#   2627:10  Preassigned    2.05, 3.22 A)
 &rst
  ixpk= 2627, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 702, 703,
 &end
#
#   38 GLU  QG           38 GLU  HN          3.50    (#   2632:10  Preassigned    2.10, 3.27 A)
 &rst
  ixpk= 2632, nxpk= 10, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 571, 572,
 &end
#
#   18 TYR  HB3          19 SER  HN          4.50    (#   2639:10  Preassigned    2.60, 3.07 A)
 &rst
  ixpk= 2639, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  QG           29 THR  HN          4.50    (#   2646:10  Preassigned    2.13, 4.11 A)
 &rst
  ixpk= 2646, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#   26 GLN  QG           27 THR  HN          4.50    (#   2654:10  Preassigned    3.12, 4.73 A)
 &rst
  ixpk= 2654, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 370, 371,
 &end
#
#    1 MET  QB            2 THR  HN          4.50    (#   2661:10  Preassigned    3.74, 4.51 A)
 &rst
  ixpk= 2661, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#   68 GLN  HG3          29 THR  HN          4.50    (#   2664:10  Preassigned    4.54, 5.25 A)
 &rst
  ixpk= 2664, nxpk= 10, iat=1022, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HB2          27 THR  HN          4.50    (#   2668:10  Preassigned    3.78, 4.15 A)
 &rst
  ixpk= 2668, nxpk= 10, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB2          43 GLY  HN          4.50    (#   2672:10  Preassigned    3.46, 4.05 A)
 &rst
  ixpk= 2672, nxpk= 10, iat= 642, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 MET  HB2           8 MET  HN          3.50    (#   2674:10  Preassigned    2.27, 2.37 A)
 &rst
  ixpk= 2674, nxpk= 10, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLN  QB           47 SER  HN          3.50    (#   2675:10  Preassigned    3.10, 3.65 A)
 &rst
  ixpk= 2675, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#   46 GLN  QB           46 GLN  HN          3.50    (#   2678:10  Preassigned    2.91, 3.54 A)
 &rst
  ixpk= 2678, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#   38 GLU  HB2          40 GLU  HN          4.50    (#   2680:10  Preassigned    4.36, 5.64 A)
 &rst
  ixpk= 2680, nxpk= 10, iat= 568, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  QG           43 GLY  HN          4.50    (#   2685:10  Preassigned    4.20, 5.00 A)
 &rst
  ixpk= 2685, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 639, 640,
 &end
#
#   26 GLN  HB3          27 THR  HN          4.50    (#   2686:10  Preassigned    3.45, 4.20 A)
 &rst
  ixpk= 2686, nxpk= 10, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HB2          38 GLU  HN          3.50    (#   2689:10  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 2689, nxpk= 10, iat= 568, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HB3           8 MET  HN          3.50    (#   2694:10  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 2694, nxpk= 10, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  QB           40 GLU  HN          3.50    (#   2697:10  Preassigned    2.01, 3.70 A)
 &rst
  ixpk= 2697, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 584,
 &end
#
#   39 LYS  QB           39 LYS  HN          3.50    (#   2702:10  Preassigned    2.52, 3.50 A)
 &rst
  ixpk= 2702, nxpk= 10, iat=  -1, 579, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 584,
 &end
#
#   32 GLU  QB           29 THR  HN          6.00    (#   2706:10  Preassigned    2.39, 3.66 A)
 &rst
  ixpk= 2706, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 460, 461,
 &end
#
#   38 GLU  HB3          39 LYS  HN          3.50    (#   2712:10  Preassigned    3.83, 4.24 A)
 &rst
  ixpk= 2712, nxpk= 10, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ILE  HB           82 THR  HN          3.50    (#   2721:10  Preassigned    2.45, 2.85 A)
 &rst
  ixpk= 2721, nxpk= 10, iat=1220,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB2          62 ASP  HN          3.50    (#   2733:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 2733, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LYS  QB           56 LYS  HN          3.50    (#   2735:10  Preassigned    2.15, 3.04 A)
 &rst
  ixpk= 2735, nxpk= 10, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 840, 841,
 &end
#
#   42 PRO  HB3          43 GLY  HN          4.50    (#   2739:10  Preassigned    2.62, 3.39 A)
 &rst
  ixpk= 2739, nxpk= 10, iat= 643, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HB2          62 ASP  HN          3.50    (#   2742:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 2742, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HB2          46 GLN  HN          3.50    (#   2745:10  Preassigned    1.89, 2.42 A)
 &rst
  ixpk= 2745, nxpk= 10, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ALA  QB            8 MET  HN          3.50    (#   2749:10  Preassigned    2.23, 3.37 A)
 &rst
  ixpk= 2749, nxpk= 10, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  98,  99, 100,
 &end
#
#   38 GLU  HB2          39 LYS  HN          3.50    (#   2751:10  Preassigned    2.89, 4.89 A)
 &rst
  ixpk= 2751, nxpk= 10, iat= 568, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HB2           9 GLY  HN          6.00    (#   2756:10  Preassigned    2.73, 3.66 A)
 &rst
  ixpk= 2756, nxpk= 10, iat= 108, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HB2           9 GLY  HN          4.50    (#   2757:10  Preassigned    4.36, 5.18 A)
 &rst
  ixpk= 2757, nxpk= 10, iat=  73, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  QG           23 GLY  HN          4.50    (#   2759:10  Preassigned    3.63, 4.48 A)
 &rst
  ixpk= 2759, nxpk= 10, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 323, 324,
 &end
#
#   22 GLU  HB2          23 GLY  HN          4.50    (#   2765:10  Preassigned    2.81, 4.08 A)
 &rst
  ixpk= 2765, nxpk= 10, iat= 320, 331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HB3          23 GLY  HN          6.00    (#   2766:10  Preassigned    3.87, 5.00 A)
 &rst
  ixpk= 2766, nxpk= 10, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 ALA  QB            9 GLY  HN          6.00    (#   2768:10  Preassigned    5.02, 6.26 A)
 &rst
  ixpk= 2768, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  98,  99, 100,
 &end
#
#   95 LYS  HB2          95 LYS  HN          4.50    (#   2771:10  Preassigned    2.84, 3.37 A)
 &rst
  ixpk= 2771, nxpk= 10, iat=1442,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 LYS  HG3          95 LYS  HN          4.50    (#   2775:10  Preassigned    2.12, 3.87 A)
 &rst
  ixpk= 2775, nxpk= 10, iat=1446,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LYS  QD           34 LYS  HN          3.50    (#   2789:10  Preassigned    2.95, 4.09 A)
 &rst
  ixpk= 2789, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 500, 501,
 &end
#
#   78 VAL  HB           78 VAL  HN          3.50    (#   2793:10  Preassigned    1.97, 2.12 A)
 &rst
  ixpk= 2793, nxpk= 10, iat=1184,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HB2          58 LEU  HN          3.50    (#   2801:10  Preassigned    1.93, 3.08 A)
 &rst
  ixpk= 2801, nxpk= 10, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  QB           59 LYS  HN          3.50    (#   2815:10  Unique         2.27, 3.05 A)
 &rst
  ixpk= 2815, nxpk= 10, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#   94 LEU  QB           94 LEU  HN          3.50    (#   2819:10  Preassigned    2.23, 3.13 A)
 &rst
  ixpk= 2819, nxpk= 10, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1423,1424,
 &end
#
#   59 LYS  HG2          60 ASP  HN          4.50    (#   2823:10  Preassigned    4.62, 4.78 A)
 &rst
  ixpk= 2823, nxpk= 10, iat= 903, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ALA  QB            6 ALA  HN          3.50    (#   2838:10  Preassigned    2.40, 2.95 A)
 &rst
  ixpk= 2838, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  88,  89,  90,
 &end
#
#   56 LYS  QD           57 LEU  HN          4.50    (#   2844:10  Preassigned    4.29, 4.69 A)
 &rst
  ixpk= 2844, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 846, 847,
 &end
#
#   91 LYS  QG           90 GLU  HN          6.00    (#   2848:10  Preassigned    4.39, 6.40 A)
 &rst
  ixpk= 2848, nxpk= 10, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1383,1384,
 &end
#
#    6 ALA  QB            7 ALA  HN          3.50    (#   2849:10  Preassigned    3.46, 4.18 A)
 &rst
  ixpk= 2849, nxpk= 10, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  88,  89,  90,
 &end
#
#   30 LYS  QG           30 LYS  HN          4.50    (#   2854:10  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 2854, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 434, 435,
 &end
#
#   45 LEU  HB3          45 LEU  HN          3.50    (#   2863:10  Preassigned    3.49, 3.55 A)
 &rst
  ixpk= 2863, nxpk= 10, iat= 681, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HB2          30 LYS  HN          4.50    (#   2869:10  Preassigned    5.74, 6.03 A)
 &rst
  ixpk= 2869, nxpk= 10, iat= 398, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HG3          37 MET  HN          4.50    (#   2878:10  Preassigned    2.66, 3.76 A)
 &rst
  ixpk= 2878, nxpk= 10, iat= 587, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LEU  HB3          59 LYS  HN          3.50    (#   2879:10  Preassigned    2.20, 2.54 A)
 &rst
  ixpk= 2879, nxpk= 10, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  QB           67 ALA  HN          3.50    (#   2885:10  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 2885, nxpk= 10, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1008,1009,1010,
 &end
#
#   30 LYS  QG           30 LYS  HN          4.50    (#   2889:10  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 2889, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 434, 435,
 &end
#
#   67 ALA  QB           68 GLN  HN          3.50    (#   2897:10  Preassigned    2.53, 3.71 A)
 &rst
  ixpk= 2897, nxpk= 10, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1008,1009,1010,
 &end
#
#   49 LYS  QG           51 LYS  HN          3.50    (#   2906:10  Preassigned    2.34, 3.86 A)
 &rst
  ixpk= 2906, nxpk= 10, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 737, 738,
 &end
#
#   17 ARG  HG3          17 ARG  HN          3.50    (#   2908:10  Preassigned    2.12, 2.62 A)
 &rst
  ixpk= 2908, nxpk= 10, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  HG           44 PHE  HN          3.50    (#   2909:10  Preassigned    2.78, 4.23 A)
 &rst
  ixpk= 2909, nxpk= 10, iat= 683, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HG3          60 ASP  HN          4.50    (#   2912:10  Preassigned    4.52, 4.67 A)
 &rst
  ixpk= 2912, nxpk= 10, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HB3          28 LEU  HN          4.50    (#   2915:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 2915, nxpk= 10, iat= 399, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HB3          61 LEU  HN          3.50    (#   2919:10  Preassigned    3.18, 3.42 A)
 &rst
  ixpk= 2919, nxpk= 10, iat= 935, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ALA  QB           80 ALA  HN          3.50    (#   2925:10  Preassigned    2.52, 2.97 A)
 &rst
  ixpk= 2925, nxpk= 10, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1210,1211,1212,
 &end
#
#   91 LYS  QG           89 PHE  HN          3.50    (#   2927:10  Preassigned    3.06, 4.76 A)
 &rst
  ixpk= 2927, nxpk= 10, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1383,1384,
 &end
#
#   91 LYS  QG           91 LYS  HN          3.50    (#   2930:10  Preassigned    2.50, 4.11 A)
 &rst
  ixpk= 2930, nxpk= 10, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1383,1384,
 &end
#
#   45 LEU  HG           41 LEU  HN          6.00    (#   2933:10  Preassigned    5.83, 6.26 A)
 &rst
  ixpk= 2933, nxpk= 10, iat= 683, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 LEU  HB3          58 LEU  HN          3.50    (#   2937:10  Preassigned    2.19, 2.83 A)
 &rst
  ixpk= 2937, nxpk= 10, iat= 882, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ILE  HB           75 ILE  HN          3.50    (#   2952:10  Preassigned    2.15, 2.33 A)
 &rst
  ixpk= 2952, nxpk= 10, iat=1129,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HB3          33 LEU  HN          3.50    (#   2959:10  Preassigned    2.05, 2.32 A)
 &rst
  ixpk= 2959, nxpk= 10, iat= 476, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 THR  QG            3 GLU  HN          4.50    (#   2966:10  Preassigned    2.82, 4.41 A)
 &rst
  ixpk= 2966, nxpk= 10, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  27,  28,  29,
 &end
#
#   80 ALA  QB           81 ILE  HN          3.50    (#   2970:10  Preassigned    2.47, 3.50 A)
 &rst
  ixpk= 2970, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1210,1211,1212,
 &end
#
#   63 ALA  QB           63 ALA  HN          3.50    (#   3015:10  Preassigned    2.33, 3.05 A)
 &rst
  ixpk= 3015, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   29 THR  QG           30 LYS  HN          4.50    (#   3025:10  Preassigned    3.22, 4.21 A)
 &rst
  ixpk= 3025, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 419, 420, 421,
 &end
#
#   25 THR  QG           26 GLN  HN          4.50    (#   3026:10  Preassigned    2.02, 3.92 A)
 &rst
  ixpk= 3026, nxpk= 10, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 355, 356, 357,
 &end
#
#   14 VAL  QQG          17 ARG  HN          4.50    (#   3027:10  Preassigned    4.02, 5.77 A)
 &rst
  ixpk= 3027, nxpk= 10, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   14 VAL  QQG          13 ASP  HN          4.50    (#   3036:10  Preassigned    4.25, 6.52 A)
 &rst
  ixpk= 3036, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   14 VAL  QQG          15 PHE  HN          3.50    (#   3042:10  Preassigned    2.51, 4.67 A)
 &rst
  ixpk= 3042, nxpk= 10, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   11 ILE  QG1          11 ILE  HN          3.50    (#   3063:10  Preassigned    2.04, 2.95 A)
 &rst
  ixpk= 3063, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 155, 156,
 &end
#
#   36 LEU  HB3          37 MET  HN          4.50    (#   3064:10  Preassigned    2.22, 2.67 A)
 &rst
  ixpk= 3064, nxpk= 10, iat= 533, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LEU  QD1          30 LYS  HN          4.50    (#   3069:10  Double Ambig)
 &rst
  ixpk= 3069, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 482,
 &end
#
#   27 THR  QG           26 GLN  HN          4.50    (#   3070:10  Preassigned    2.80, 5.76 A)
 &rst
  ixpk= 3070, nxpk= 10, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   69 VAL  QG1          28 LEU  HN          4.50    (#   3094:10  Preassigned    3.45, 4.41 A)
 &rst
  ixpk= 3094, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   92 THR  QG           89 PHE  HN          3.50    (#   3100:10  Preassigned    3.65, 5.04 A)
 &rst
  ixpk= 3100, nxpk= 10, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1404,1405,1406,
 &end
#
#   69 VAL  QG1          69 VAL  HN          4.50    (#   3101:10  Preassigned    4.20, 4.46 A)
 &rst
  ixpk= 3101, nxpk= 10, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   27 THR  QG           28 LEU  HN          3.50    (#   3104:10  Preassigned    4.03, 4.65 A)
 &rst
  ixpk= 3104, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 386, 387, 388,
 &end
#
#   69 VAL  QG1          71 PHE  HN          4.50    (#   3109:10  Preassigned    4.57, 6.12 A)
 &rst
  ixpk= 3109, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   27 THR  QG           68 GLN  HN          4.50    (#   3117:10  Double Ambig)
 &rst
  ixpk= 3117, nxpk= 10, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   69 VAL  QG1          73 GLU  HN          4.50    (#   3135:10  Preassigned    3.90, 4.64 A)
 &rst
  ixpk= 3135, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   45 LEU  HB3          46 GLN  HN          3.50    (#   3146:10  Preassigned    1.96, 3.01 A)
 &rst
  ixpk= 3146, nxpk= 10, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HG2          38 GLU  HN          4.50    (#   3149:10  Double Ambig)
 &rst
  ixpk= 3149, nxpk= 10, iat= 586, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LYS  QD           56 LYS  HN          3.50    (#   3152:10  Preassigned    3.53, 4.53 A)
 &rst
  ixpk= 3152, nxpk= 10, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 846, 847,
 &end
#
#   40 GLU  QB           40 GLU  HN          4.50    (#   3155:10  Preassigned    2.60, 3.37 A)
 &rst
  ixpk= 3155, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   28 LEU  HB3          29 THR  HN          4.50    (#   3170:10  Preassigned    3.46, 3.53 A)
 &rst
  ixpk= 3170, nxpk= 10, iat= 399, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LYS  HG2          56 LYS  HN          3.50    (#   3173:10  Preassigned    2.40, 2.95 A)
 &rst
  ixpk= 3173, nxpk= 10, iat= 843, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HG3          38 GLU  HN          4.50    (#   3176:10  Preassigned    2.68, 4.20 A)
 &rst
  ixpk= 3176, nxpk= 10, iat= 587, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HB3          62 ASP  HN          4.50    (#   3180:10  Preassigned    3.95, 4.21 A)
 &rst
  ixpk= 3180, nxpk= 10, iat= 935, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  QB           64 ASN  HN          3.50    (#   3191:10  Preassigned    2.51, 3.71 A)
 &rst
  ixpk= 3191, nxpk= 10, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   53 ALA  QB           54 VAL  HN          4.50    (#   3202:10  Preassigned    3.28, 4.14 A)
 &rst
  ixpk= 3202, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 802, 803, 804,
 &end
#
#    2 THR  QG            2 THR  HN          6.00    (#   3203:10  Preassigned    2.08, 3.53 A)
 &rst
  ixpk= 3203, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  27,  28,  29,
 &end
#
#   84 ALA  QB           85 SER  HN          4.50    (#   3215:10  Preassigned    2.21, 3.64 A)
 &rst
  ixpk= 3215, nxpk= 10, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1264,1265,1266,
 &end
#
#   81 ILE  HG2          82 THR  HN          4.50    (#   3216:10  Preassigned    3.96, 4.36 A)
 &rst
  ixpk= 3216, nxpk= 10, iat=1226,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HG3          82 THR  HN          6.00    (#   3222:10  Preassigned    4.71, 5.01 A)
 &rst
  ixpk= 3222, nxpk= 10, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 THR  QG           25 THR  HN          3.50    (#   3236:10  Preassigned    2.97, 4.40 A)
 &rst
  ixpk= 3236, nxpk= 10, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 355, 356, 357,
 &end
#
#   29 THR  QG           29 THR  HN          3.50    (#   3238:10  Preassigned    2.21, 3.13 A)
 &rst
  ixpk= 3238, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 419, 420, 421,
 &end
#
#   27 THR  QG           25 THR  HN          4.50    (#   3247:10  Preassigned    4.15, 5.85 A)
 &rst
  ixpk= 3247, nxpk= 10, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   27 THR  QG           27 THR  HN          4.50    (#   3256:10  Preassigned    2.22, 3.21 A)
 &rst
  ixpk= 3256, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   27 THR  QG           29 THR  HN          4.50    (#   3262:10  Double Ambig)
 &rst
  ixpk= 3262, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#    5 GLU  HB3           9 GLY  HN          6.00    (#   3265:10  Preassigned    3.13, 4.50 A)
 &rst
  ixpk= 3265, nxpk= 10, iat=  74, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ALA  QB           65 GLY  HN          6.00    (#   3266:10  Preassigned    5.13, 5.81 A)
 &rst
  ixpk= 3266, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 965, 966, 967,
 &end
#
#   58 LEU  QD1          30 LYS  HN          4.50    (#   3287:10  Preassigned    4.90, 6.55 A)
 &rst
  ixpk= 3287, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 886, 887, 888,
 &end
#
#   45 LEU  QQD          45 LEU  HN          3.50    (#   3316:10  Preassigned    3.16, 4.49 A)
 &rst
  ixpk= 3316, nxpk= 10, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   54 VAL  QG2          54 VAL  HN          3.50    (#   3320:10  Preassigned    2.27, 3.34 A)
 &rst
  ixpk= 3320, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 818, 819, 820,
 &end
#
#   58 LEU  QD1          58 LEU  HN          3.50    (#   3332:10  Preassigned    3.76, 4.78 A)
 &rst
  ixpk= 3332, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   69 VAL  QG2          28 LEU  HN          4.50    (#   3339:10  Preassigned    4.28, 5.09 A)
 &rst
  ixpk= 3339, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#   11 ILE  QD           11 ILE  HN          3.50    (#   3340:10  Preassigned    1.66, 3.16 A)
 &rst
  ixpk= 3340, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 158, 159, 160,
 &end
#
#   58 LEU  QD2          59 LYS  HN          3.50    (#   3343:10  Preassigned    3.03, 4.72 A)
 &rst
  ixpk= 3343, nxpk= 10, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 890, 891, 892,
 &end
#
#   58 LEU  QD1          59 LYS  HN          4.50    (#   3344:10  Preassigned    5.15, 5.79 A)
 &rst
  ixpk= 3344, nxpk= 10, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 886, 887, 888,
 &end
#
#   58 LEU  QD2          30 LYS  HN          4.50    (#   3351:10  Preassigned    4.90, 6.55 A)
 &rst
  ixpk= 3351, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 890, 891, 892,
 &end
#
#   69 VAL  QG2          69 VAL  HN          3.50    (#   3354:10  Preassigned    1.98, 3.07 A)
 &rst
  ixpk= 3354, nxpk= 10, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1041,1042,1043,
 &end
#
#   11 ILE  QD           10 MET  HN          4.50    (#   3371:10  Preassigned    2.36, 4.83 A)
 &rst
  ixpk= 3371, nxpk= 10, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 158, 159, 160,
 &end
#
#   75 ILE  QG1          75 ILE  HN          4.50    (#   3384:10  Preassigned    4.09, 4.51 A)
 &rst
  ixpk= 3384, nxpk= 10, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1135,1136,
 &end
#
#   69 VAL  QG2          73 GLU  HN          6.00    (#   3390:10  Preassigned    5.62, 6.73 A)
 &rst
  ixpk= 3390, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1041,1042,1043,
 &end
#
#   45 LEU  QQD          37 MET  HN          4.50    (#   3397:10  Double Ambig)
 &rst
  ixpk= 3397, nxpk= 10, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   57 LEU  QQD          58 LEU  HN          3.50    (#   3404:10  Preassigned    1.92, 5.12 A)
 &rst
  ixpk= 3404, nxpk= 10, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   78 VAL  QG1          78 VAL  HN          3.50    (#   3406:10  Preassigned    3.75, 4.35 A)
 &rst
  ixpk= 3406, nxpk= 10, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1186,1187,1188,
 &end
#
#   82 THR  QG           83 SER  HN          4.50    (#   3408:10  Preassigned    2.54, 4.13 A)
 &rst
  ixpk= 3408, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1241,1242,1243,
 &end
#
#   82 THR  QG           81 ILE  HN          3.50    (#   3409:10  Double Ambig)
 &rst
  ixpk= 3409, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   82 THR  QG           80 ALA  HN          3.50    (#   3414:10  Double Ambig)
 &rst
  ixpk= 3414, nxpk= 10, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   45 LEU  QQD          44 PHE  HN          3.50    (#   3418:10  Preassigned    4.13, 6.58 A)
 &rst
  ixpk= 3418, nxpk= 10, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   57 LEU  QQD          60 ASP  HN          4.50    (#   3419:10  Preassigned    4.97, 6.85 A)
 &rst
  ixpk= 3419, nxpk= 10, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   57 LEU  QQD          57 LEU  HN          3.50    (#   3437:10  Preassigned    2.19, 4.53 A)
 &rst
  ixpk= 3437, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   54 VAL  QG1          57 LEU  HN          4.50    (#   3438:10  Double Ambig)
 &rst
  ixpk= 3438, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 814, 815, 816,
 &end
#
#   76 VAL  QG2          77 PHE  HN          3.50    (#   3439:10  Preassigned    3.75, 4.69 A)
 &rst
  ixpk= 3439, nxpk= 10, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1154,1155,1156,
 &end
#
#   12 ILE  QG2          13 ASP  HN          3.50    (#   3461:10  Preassigned    3.12, 4.27 A)
 &rst
  ixpk= 3461, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 170, 171, 172,
 &end
#
#   76 VAL  QG2          77 PHE  HN          3.50    (#   3480:10  Preassigned    3.75, 4.69 A)
 &rst
  ixpk= 3480, nxpk= 10, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1154,1155,1156,
 &end
#
#   69 VAL  QG2          61 LEU  HN          4.50    (#   3499:10  Double Ambig)
 &rst
  ixpk= 3499, nxpk= 10, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#   61 LEU  QD1          61 LEU  HN          3.50    (#   3514:10  Preassigned    4.19, 4.82 A)
 &rst
  ixpk= 3514, nxpk= 10, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 939, 940, 941,
 &end
#
#   36 LEU  QD1          37 MET  HN          4.50    (#   3537:10  Double Ambig)
 &rst
  ixpk= 3537, nxpk= 10, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 537, 538, 539,
 &end
#
#   28 LEU  QQD          28 LEU  HN          4.50    (#   3554:10  Preassigned    2.42, 4.33 A)
 &rst
  ixpk= 3554, nxpk= 10, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   61 LEU  QD2          61 LEU  HN          3.50    (#   3579:10  Preassigned    2.05, 3.14 A)
 &rst
  ixpk= 3579, nxpk= 10, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 943, 944, 945,
 &end
#
#   75 ILE  QG2          75 ILE  HN          3.50    (#   3595:10  Preassigned    2.17, 3.44 A)
 &rst
  ixpk= 3595, nxpk= 10, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1131,1132,1133,
 &end
#
#   78 VAL  QG2          78 VAL  HN          3.50    (#   3649:10  Preassigned    2.13, 3.42 A)
 &rst
  ixpk= 3649, nxpk= 10, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1190,1191,1192,
 &end
#
#   45 LEU  QQD          38 GLU  HN          4.50    (#   3720:10  Double Ambig)
 &rst
  ixpk= 3720, nxpk= 10, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   57 LEU  QQD          56 LYS  HN          4.50    (#   3722:10  Double Ambig)
 &rst
  ixpk= 3722, nxpk= 10, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   45 LEU  QQD          38 GLU  HN          4.50    (#   3730:10  Double Ambig)
 &rst
  ixpk= 3730, nxpk= 10, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   82 THR  QG           82 THR  HN          3.50    (#   3733:10  Preassigned    1.99, 3.06 A)
 &rst
  ixpk= 3733, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   61 LEU  QD1          62 ASP  HN          4.50    (#   3743:10  Preassigned    3.02, 4.88 A)
 &rst
  ixpk= 3743, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 939, 940, 941,
 &end
#
#   36 LEU  HG           40 GLU  HN          4.50    (#   3747:10  Preassigned    3.73, 4.66 A)
 &rst
  ixpk= 3747, nxpk= 10, iat= 535, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  QD1          16 SER  HN          6.00    (#   3750:10  Preassigned    3.73, 6.32 A)
 &rst
  ixpk= 3750, nxpk= 10, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 537, 538, 539,
 &end
#
#   28 LEU  QQD          19 SER  HN          4.50    (#   3765:10  Preassigned    2.28, 5.03 A)
 &rst
  ixpk= 3765, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   28 LEU  QQD          29 THR  HN          4.50    (#   3781:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 3781, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   36 LEU  QD2          19 SER  HN          4.50    (#   3783:10  Preassigned    4.90, 6.33 A)
 &rst
  ixpk= 3783, nxpk= 10, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 541, 542, 543,
 &end
#
#   28 LEU  QQD          29 THR  HN          4.50    (#   3792:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 3792, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   29 THR  HB           30 LYS  HN          3.50    (#   3894:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 3894, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HA           30 LYS  HN          4.50    (#   3895:10  Preassigned    2.74, 2.77 A)
 &rst
  ixpk= 3895, nxpk= 10, iat= 429, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 THR  HA           95 LYS  HN          3.50    (#   3896:10  Preassigned    3.33, 3.84 A)
 &rst
  ixpk= 3896, nxpk= 10, iat=1400,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HA           32 GLU  HN          4.50    (#   3897:10  Preassigned    2.90, 2.95 A)
 &rst
  ixpk= 3897, nxpk= 10, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LEU  HA           32 GLU  HN          4.50    (#   3898:10  Preassigned    4.87, 4.99 A)
 &rst
  ixpk= 3898, nxpk= 10, iat= 473, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLY  QA           32 GLU  HN          3.50    (#   3899:10  Preassigned    2.92, 3.27 A)
 &rst
  ixpk= 3899, nxpk= 10, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 452,
 &end
#
#   66 ASP  HB2          67 ALA  HN          4.50    (#   3901:10  Preassigned    3.33, 3.46 A)
 &rst
  ixpk= 3901, nxpk= 10, iat= 996,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HN            9 GLY  HN          4.50    (#   3903:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 3903, nxpk= 10, iat= 128, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HA3           9 GLY  HN          3.50    (#   3904:10  Preassigned    2.08, 2.40 A)
 &rst
  ixpk= 3904, nxpk= 10, iat= 124, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLY  HA2           9 GLY  HN          3.50    (#   3905:10  Preassigned    2.33, 2.74 A)
 &rst
  ixpk= 3905, nxpk= 10, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HB3           9 GLY  HN          4.50    (#   3906:10  Preassigned    2.07, 2.88 A)
 &rst
  ixpk= 3906, nxpk= 10, iat= 109, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 GLY  QA           43 GLY  HN          3.50    (#   3909:10  Preassigned    2.24, 2.59 A)
 &rst
  ixpk= 3909, nxpk= 10, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 651, 652,
 &end
#
#   80 ALA  HN           79 ALA  HN          4.50    (#   3919:10  Preassigned    2.82, 2.90 A)
 &rst
  ixpk= 3919, nxpk= 10, iat=1206,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HN           79 ALA  HN          4.50    (#   3920:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 3920, nxpk= 10, iat=1180,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  QG1          79 ALA  HN          3.50    (#   3921:10  Preassigned    2.69, 3.89 A)
 &rst
  ixpk= 3921, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1186,1187,1188,
 &end
#
#   78 VAL  QG2          79 ALA  HN          3.50    (#   3924:10  Preassigned    4.48, 5.05 A)
 &rst
  ixpk= 3924, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1190,1191,1192,
 &end
#
#   79 ALA  QB           79 ALA  HN          3.50    (#   3925:10  Preassigned    2.31, 2.83 A)
 &rst
  ixpk= 3925, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1200,1201,1202,
 &end
#
#   75 ILE  HA           79 ALA  HN          4.50    (#   3926:10  Preassigned    3.67, 3.87 A)
 &rst
  ixpk= 3926, nxpk= 10, iat=1127,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  HA           79 ALA  HN          4.50    (#   3928:10  Preassigned    2.79, 2.84 A)
 &rst
  ixpk= 3928, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HB           79 ALA  HN          3.50    (#   3929:10  Preassigned    2.69, 2.98 A)
 &rst
  ixpk= 3929, nxpk= 10, iat=1184,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ASP  HA           70 ASP  HN          4.50    (#   3933:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 3933, nxpk= 10, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HA           70 ASP  HN          3.50    (#   3934:10  Preassigned    2.24, 2.29 A)
 &rst
  ixpk= 3934, nxpk= 10, iat=1033,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HG3          70 ASP  HN          3.50    (#   3935:10  Preassigned    2.28, 2.69 A)
 &rst
  ixpk= 3935, nxpk= 10, iat=1098,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  QG1          70 ASP  HN          3.50    (#   3936:10  Preassigned    3.88, 4.51 A)
 &rst
  ixpk= 3936, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1037,1038,1039,
 &end
#
#   70 ASP  HB2          70 ASP  HN          4.50    (#   3937:10  Preassigned    2.27, 2.52 A)
 &rst
  ixpk= 3937, nxpk= 10, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  QG2          70 ASP  HN          4.50    (#   3939:10  Preassigned    4.56, 5.29 A)
 &rst
  ixpk= 3939, nxpk= 10, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#   28 LEU  HN           69 VAL  HN          4.50    (#   3943:10  Preassigned    2.99, 3.49 A)
 &rst
  ixpk= 3943, nxpk= 10, iat= 394,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HN           69 VAL  HN          6.00    (#   3944:10  Preassigned    3.24, 3.85 A)
 &rst
  ixpk= 3944, nxpk= 10, iat=1014,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HA           69 VAL  HN          3.50    (#   3945:10  Preassigned    2.01, 2.19 A)
 &rst
  ixpk= 3945, nxpk= 10, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HB3          69 VAL  HN          6.00    (#   3946:10  Preassigned    4.87, 5.67 A)
 &rst
  ixpk= 3946, nxpk= 10, iat= 399,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ASP  HN           69 VAL  HN          6.00    (#   3947:10  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 3947, nxpk= 10, iat=1047,1031, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HG3          69 VAL  HN          4.50    (#   3948:10  Preassigned    4.99, 5.15 A)
 &rst
  ixpk= 3948, nxpk= 10, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HB2          65 GLY  HN          6.00    (#   3950:10  Preassigned    3.03, 4.18 A)
 &rst
  ixpk= 3950, nxpk= 10, iat= 975, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  QG1          76 VAL  HN          3.50    (#   3955:10  Preassigned    4.19, 4.57 A)
 &rst
  ixpk= 3955, nxpk= 10, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1150,1151,1152,
 &end
#
#   76 VAL  QG2          76 VAL  HN          3.50    (#   3956:10  Preassigned    2.12, 3.07 A)
 &rst
  ixpk= 3956, nxpk= 10, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1154,1155,1156,
 &end
#
#   75 ILE  HB           76 VAL  HN          4.50    (#   3958:10  Preassigned    3.77, 3.93 A)
 &rst
  ixpk= 3958, nxpk= 10, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ALA  QB           84 ALA  HN          3.50    (#   3959:10  Preassigned    2.40, 2.93 A)
 &rst
  ixpk= 3959, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1264,1265,1266,
 &end
#
#   90 GLU  HN           89 PHE  HN          4.50    (#   3960:10  Preassigned    2.59, 3.70 A)
 &rst
  ixpk= 3960, nxpk= 10, iat=1361,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 THR  HN           89 PHE  HN          4.50    (#   3961:10  Preassigned    3.48, 4.54 A)
 &rst
  ixpk= 3961, nxpk= 10, iat=1398,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ALA  HA           11 ILE  HN          4.50    (#   3963:10  Preassigned    3.88, 4.47 A)
 &rst
  ixpk= 3963, nxpk= 10, iat=  96, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLU  QB            3 GLU  HN          3.50    (#   3966:10  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 3966, nxpk= 10, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  40,
 &end
#
#   58 LEU  HN           57 LEU  HN          3.50    (#   3967:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 3967, nxpk= 10, iat= 877, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HA           40 GLU  HN          6.00    (#   3970:10  Preassigned    1.87, 2.93 A)
 &rst
  ixpk= 3970, nxpk= 10, iat= 581, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 VAL  QG2          54 VAL  HN          3.50    (#   3971:10  Preassigned    2.27, 3.34 A)
 &rst
  ixpk= 3971, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 818, 819, 820,
 &end
#
#   54 VAL  HA           54 VAL  HN          4.50    (#   3972:10  Preassigned    2.82, 2.92 A)
 &rst
  ixpk= 3972, nxpk= 10, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ALA  HN           83 SER  HN          4.50    (#   3974:10  Preassigned    2.29, 2.56 A)
 &rst
  ixpk= 3974, nxpk= 10, iat=1260,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HA           83 SER  HN          4.50    (#   3975:10  Preassigned    3.82, 4.02 A)
 &rst
  ixpk= 3975, nxpk= 10, iat=1218,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  QG1          74 PHE  HN          3.50    (#   3976:10  Preassigned    2.06, 2.98 A)
 &rst
  ixpk= 3976, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1037,1038,1039,
 &end
#
#   75 ILE  QG2          74 PHE  HN          4.50    (#   3977:10  Preassigned    4.76, 5.95 A)
 &rst
  ixpk= 3977, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1131,1132,1133,
 &end
#
#   78 VAL  QG2          74 PHE  HN          4.50    (#   3978:10  Preassigned    4.15, 6.57 A)
 &rst
  ixpk= 3978, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1190,1191,1192,
 &end
#
#   69 VAL  QG2          74 PHE  HN          4.50    (#   3979:10  Preassigned    4.23, 5.39 A)
 &rst
  ixpk= 3979, nxpk= 10, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#   34 LYS  HN           33 LEU  HN          6.00    (#   3980:10  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 3980, nxpk= 10, iat= 490, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  QD2          33 LEU  HN          4.50    (#   3981:10  Preassigned    3.93, 4.85 A)
 &rst
  ixpk= 3981, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#    8 MET  HN            7 ALA  HN          4.50    (#   3982:10  Preassigned    2.15, 2.35 A)
 &rst
  ixpk= 3982, nxpk= 10, iat= 104,  94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  QD            7 ALA  HN          4.50    (#   3983:10  Preassigned    5.06, 6.06 A)
 &rst
  ixpk= 3983, nxpk= 10, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 158, 159, 160,
 &end
#
#   37 MET  HG2          37 MET  HN          4.50    (#   3985:10  Preassigned    1.88, 2.61 A)
 &rst
  ixpk= 3985, nxpk= 10, iat= 554, 547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  QB           37 MET  HN          3.50    (#   3986:10  Preassigned    2.44, 3.52 A)
 &rst
  ixpk= 3986, nxpk= 10, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 551, 552,
 &end
#
#   39 LYS  QB           37 MET  HN          3.50    (#   3987:10)
 &rst
  ixpk= 3987, nxpk= 10, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 584,
 &end
#
#   36 LEU  QD2          37 MET  HN          4.50    (#   3988:10  Preassigned    3.66, 5.11 A)
 &rst
  ixpk= 3988, nxpk= 10, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 541, 542, 543,
 &end
#
#   12 ILE  HB           12 ILE  HN          3.50    (#   3991:10  Preassigned    2.08, 2.17 A)
 &rst
  ixpk= 3991, nxpk= 10, iat= 168, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HN           18 TYR  HN          3.50    (#   3994:10  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 3994, nxpk= 10, iat= 287, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HA           18 TYR  HN          3.50    (#   3996:10  Preassigned    2.48, 2.70 A)
 &rst
  ixpk= 3996, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HB2          18 TYR  HN          3.50    (#   3997:10  Preassigned    2.07, 2.91 A)
 &rst
  ixpk= 3997, nxpk= 10, iat= 246, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HG3          18 TYR  HN          3.50    (#   3998:10  Preassigned    3.69, 4.36 A)
 &rst
  ixpk= 3998, nxpk= 10, iat= 250, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  QD2          34 LYS  HN          3.50    (#   4001:10  Preassigned    2.42, 3.81 A)
 &rst
  ixpk= 4001, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 484, 485, 486,
 &end
#
#   33 LEU  HB3          34 LYS  HN          3.50    (#   4002:10  Preassigned    2.36, 2.91 A)
 &rst
  ixpk= 4002, nxpk= 10, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HA           75 ILE  HN          3.50    (#   4005:10  Preassigned    3.49, 3.58 A)
 &rst
  ixpk= 4005, nxpk= 10, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HA           62 ASP  HN          3.50    (#   4010:10  Preassigned    2.80, 3.45 A)
 &rst
  ixpk= 4010, nxpk= 10, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB2          62 ASP  HN          3.50    (#   4011:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 4011, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HG3          39 LYS  HN          3.50    (#   4014:10  Preassigned    2.53, 3.72 A)
 &rst
  ixpk= 4014, nxpk= 10, iat= 587, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 ILE  HN           11 ILE  HN          4.50    (#   4018:10  Preassigned    2.11, 2.60 A)
 &rst
  ixpk= 4018, nxpk= 10, iat= 164, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  QG1          11 ILE  HN          4.50    (#   4019:10  Double Ambig)
 &rst
  ixpk= 4019, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 174, 175,
 &end
#
#   21 SER  HN           22 GLU  HN          4.50    (#   4020:10  Preassigned    2.28, 2.96 A)
 &rst
  ixpk= 4020, nxpk= 10, iat= 305, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HN           44 PHE  HN          4.50    (#   4023:10  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 4023, nxpk= 10, iat= 676, 656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HN           56 LYS  HN          3.50    (#   4024:10  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 4024, nxpk= 10, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB3          56 LYS  HN          3.50    (#   4025:10  Preassigned    3.17, 3.75 A)
 &rst
  ixpk= 4025, nxpk= 10, iat= 829, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 ALA  HA           82 THR  HN          3.50    (#   4026:10  Preassigned    3.41, 3.57 A)
 &rst
  ixpk= 4026, nxpk= 10, iat=1198,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 GLY  HN           66 ASP  HN          3.50    (#   4028:10  Preassigned    1.80, 2.71 A)
 &rst
  ixpk= 4028, nxpk= 10, iat= 985, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  QB           50 ASP  HN          3.50    (#   4032:10  Preassigned    3.81, 4.23 A)
 &rst
  ixpk= 4032, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 734, 735,
 &end
#
#   58 LEU  HB3          58 LEU  HN          3.50    (#   4033:10  Preassigned    2.19, 2.83 A)
 &rst
  ixpk= 4033, nxpk= 10, iat= 882, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  QB           69 VAL  HN          3.50    (#   4034:10  Preassigned    3.67, 4.29 A)
 &rst
  ixpk= 4034, nxpk= 10, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1018,1019,
 &end
#
#   28 LEU  QQD          69 VAL  HN          6.00    (#   4036:10  Preassigned    3.63, 6.56 A)
 &rst
  ixpk= 4036, nxpk= 10, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   26 GLN  HA           27 THR  HN          3.50    (#   4037:10  Preassigned    1.86, 2.66 A)
 &rst
  ixpk= 4037, nxpk= 10, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ALA  HN           81 ILE  HN          3.50    (#   4040:10  Preassigned    2.23, 2.35 A)
 &rst
  ixpk= 4040, nxpk= 10, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB3          77 PHE  HN          3.50    (#   4042:10  Preassigned    4.85, 6.23 A)
 &rst
  ixpk= 4042, nxpk= 10, iat= 935,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HN           21 SER  HN          4.50    (#   4043:10  Preassigned    2.28, 2.96 A)
 &rst
  ixpk= 4043, nxpk= 10, iat= 316, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 THR  HN           26 GLN  HN          6.00    (#   4044:10  Preassigned    2.72, 3.73 A)
 &rst
  ixpk= 4044, nxpk= 10, iat= 349, 363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  QG           26 GLN  HN          3.50    (#   4045:10  Preassigned    2.06, 3.14 A)
 &rst
  ixpk= 4045, nxpk= 10, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 370, 371,
 &end
#
#   77 PHE  HA           78 VAL  HN          3.50    (#   4046:10  Preassigned    3.50, 3.55 A)
 &rst
  ixpk= 4046, nxpk= 10, iat=1162,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 LYS  HN           50 ASP  HN          3.50    (#   4047:10  Preassigned    2.20, 2.82 A)
 &rst
  ixpk= 4047, nxpk= 10, iat= 764, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 THR  HA           93 GLY  HN          4.50    (#   4048:10  Preassigned    2.19, 3.41 A)
 &rst
  ixpk= 4048, nxpk= 10, iat=1400,1412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 GLY  QA           93 GLY  HN          4.50    (#   4049:10  Preassigned    2.31, 2.69 A)
 &rst
  ixpk= 4049, nxpk= 10, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   22 GLU  HA           23 GLY  HN          3.50    (#   4050:10  Preassigned    2.10, 3.44 A)
 &rst
  ixpk= 4050, nxpk= 10, iat= 318, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB3          54 VAL  HN          4.50    (#   4052:10  Preassigned    6.30, 6.97 A)
 &rst
  ixpk= 4052, nxpk= 10, iat= 829, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HA           61 LEU  HN          4.50    (#   4055:10  Preassigned    3.31, 3.37 A)
 &rst
  ixpk= 4055, nxpk= 10, iat= 920, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HB3          61 LEU  HN          3.50    (#   4056:10  Preassigned    3.53, 4.03 A)
 &rst
  ixpk= 4056, nxpk= 10, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB2          61 LEU  HN          3.50    (#   4057:10  Preassigned    3.64, 3.74 A)
 &rst
  ixpk= 4057, nxpk= 10, iat= 934, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HG           61 LEU  HN          3.50    (#   4058:10  Preassigned    2.09, 2.69 A)
 &rst
  ixpk= 4058, nxpk= 10, iat= 937, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  QD2          62 ASP  HN          4.50    (#   4059:10  Preassigned    3.92, 6.73 A)
 &rst
  ixpk= 4059, nxpk= 10, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 943, 944, 945,
 &end
#
#    9 GLY  HN           10 MET  HN          4.50    (#   4060:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 4060, nxpk= 10, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  QB           63 ALA  HN          3.50    (#   4061:10  Preassigned    2.33, 3.05 A)
 &rst
  ixpk= 4061, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   62 ASP  HA           63 ALA  HN          3.50    (#   4062:10  Preassigned    3.33, 3.49 A)
 &rst
  ixpk= 4062, nxpk= 10, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HG3          68 GLN  HN          3.50    (#   4064:10  Preassigned    2.97, 3.25 A)
 &rst
  ixpk= 4064, nxpk= 10, iat=1022,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  HN           68 GLN  HN          4.50    (#   4065:10  Preassigned    1.74, 1.90 A)
 &rst
  ixpk= 4065, nxpk= 10, iat=1004,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HB2          73 GLU  HN          3.50    (#   4066:10  Preassigned    2.48, 2.73 A)
 &rst
  ixpk= 4066, nxpk= 10, iat=1094,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HN           76 VAL  HN          4.50    (#   4067:10  Preassigned    2.46, 2.57 A)
 &rst
  ixpk= 4067, nxpk= 10, iat=1160,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  HN           76 VAL  HN          4.50    (#   4068:10  Preassigned    2.48, 2.66 A)
 &rst
  ixpk= 4068, nxpk= 10, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  QG2          76 VAL  HN          3.50    (#   4069:10  Preassigned    2.39, 3.31 A)
 &rst
  ixpk= 4069, nxpk= 10, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1131,1132,1133,
 &end
#
#   73 GLU  HA           76 VAL  HN          4.50    (#   4071:10  Preassigned    3.12, 3.43 A)
 &rst
  ixpk= 4071, nxpk= 10, iat=1092,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  QG2          81 ILE  HN          3.50    (#   4073:10  Preassigned    4.24, 4.57 A)
 &rst
  ixpk= 4073, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1222,1223,1224,
 &end
#
#   95 LYS  HA           95 LYS  HN          4.50    (#   4075:10  Preassigned    2.30, 2.76 A)
 &rst
  ixpk= 4075, nxpk= 10, iat=1440,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LEU  HG           95 LYS  HN          4.50    (#   4076:10  Preassigned    3.10, 4.00 A)
 &rst
  ixpk= 4076, nxpk= 10, iat=1426,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 LYS  HB3          95 LYS  HN          4.50    (#   4079:10  Preassigned    2.57, 3.01 A)
 &rst
  ixpk= 4079, nxpk= 10, iat=1443,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 THR  HB           92 THR  HN          4.50    (#   4081:10  Preassigned    2.93, 3.48 A)
 &rst
  ixpk= 4081, nxpk= 10, iat=1402,1398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HA           13 ASP  HN          3.50    (#   4082:10  Preassigned    2.80, 2.87 A)
 &rst
  ixpk= 4082, nxpk= 10, iat= 185, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  QQD          57 LEU  HN          3.50    (#   4085:10  Preassigned    2.19, 4.53 A)
 &rst
  ixpk= 4085, nxpk= 10, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   81 ILE  HN           82 THR  HN          4.50    (#   4086:10  Preassigned    2.51, 2.69 A)
 &rst
  ixpk= 4086, nxpk= 10, iat=1216,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  HA           82 THR  HN          4.50    (#   4087:10  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 4087, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  QB           80 ALA  HN          3.50    (#   4088:10  Preassigned    3.24, 4.03 A)
 &rst
  ixpk= 4088, nxpk= 10, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1200,1201,1202,
 &end
#
#   76 VAL  HN           75 ILE  HN          4.50    (#   4090:10  Preassigned    2.48, 2.66 A)
 &rst
  ixpk= 4090, nxpk= 10, iat=1144,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  QD           75 ILE  HN          3.50    (#   4091:10  Preassigned    4.00, 4.98 A)
 &rst
  ixpk= 4091, nxpk= 10, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1138,1139,1140,
 &end
#
#   73 GLU  HG3          71 PHE  HN          4.50    (#   4092:10  Preassigned    4.53, 5.03 A)
 &rst
  ixpk= 4092, nxpk= 10, iat=1098,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HN           72 SER  HN          3.50    (#   4093:10  Preassigned    4.32, 4.54 A)
 &rst
  ixpk= 4093, nxpk= 10, iat=1090,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HB3          70 ASP  HN          3.50    (#   4098:10  Preassigned    3.97, 4.35 A)
 &rst
  ixpk= 4098, nxpk= 10, iat=1095,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  QB           63 ALA  HN          3.50    (#   4102:10  Double Ambig)
 &rst
  ixpk= 4102, nxpk= 10, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   59 LYS  QB           60 ASP  HN          3.50    (#   4103:10  Preassigned    2.44, 3.01 A)
 &rst
  ixpk= 4103, nxpk= 10, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#   58 LEU  HB2          58 LEU  HN          3.50    (#   4104:10  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 4104, nxpk= 10, iat= 881, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HA           55 ASP  HN          3.50    (#   4106:10  Preassigned    2.14, 2.62 A)
 &rst
  ixpk= 4106, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HA           55 ASP  HN          3.50    (#   4107:10  Preassigned    3.40, 3.56 A)
 &rst
  ixpk= 4107, nxpk= 10, iat= 810, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB3          55 ASP  HN          3.50    (#   4108:10  Preassigned    2.09, 2.92 A)
 &rst
  ixpk= 4108, nxpk= 10, iat= 829, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  QG1          55 ASP  HN          3.50    (#   4109:10  Preassigned    3.86, 6.79 A)
 &rst
  ixpk= 4109, nxpk= 10, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 814, 815, 816,
 &end
#
#   57 LEU  HB3          58 LEU  HN          3.50    (#   4110:10  Preassigned    2.35, 3.52 A)
 &rst
  ixpk= 4110, nxpk= 10, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 SER  HA           47 SER  HN          4.50    (#   4111:10  Preassigned    2.68, 2.85 A)
 &rst
  ixpk= 4111, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLU  QB           40 GLU  HN          4.50    (#   4117:10  Preassigned    2.60, 3.37 A)
 &rst
  ixpk= 4117, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   36 LEU  QD1          40 GLU  HN          4.50    (#   4118:10  Preassigned    2.44, 5.30 A)
 &rst
  ixpk= 4118, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 537, 538, 539,
 &end
#
#   40 GLU  QG           40 GLU  HN          4.50    (#   4120:10  Preassigned    1.79, 2.89 A)
 &rst
  ixpk= 4120, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 608, 609,
 &end
#
#   36 LEU  HB3          40 GLU  HN          4.50    (#   4121:10  Preassigned    4.05, 4.82 A)
 &rst
  ixpk= 4121, nxpk= 10, iat= 533, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HD2          40 GLU  HN          6.00    (#   4123:10  Preassigned    4.00, 4.69 A)
 &rst
  ixpk= 4123, nxpk= 10, iat= 636, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LEU  HB3          43 GLY  HN          6.00    (#   4124:10  Preassigned    5.57, 6.40 A)
 &rst
  ixpk= 4124, nxpk= 10, iat= 681, 649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HD3          43 GLY  HN          4.50    (#   4126:10  Preassigned    4.15, 4.71 A)
 &rst
  ixpk= 4126, nxpk= 10, iat= 637, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 LEU  QD1          33 LEU  HN          4.50    (#   4128:10  Preassigned    4.50, 5.20 A)
 &rst
  ixpk= 4128, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 482,
 &end
#
#   28 LEU  HG           33 LEU  HN          3.50    (#   4129:10  Preassigned    3.44, 3.97 A)
 &rst
  ixpk= 4129, nxpk= 10, iat= 401, 471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HB2          33 LEU  HN          4.50    (#   4130:10  Preassigned    2.38, 3.58 A)
 &rst
  ixpk= 4130, nxpk= 10, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LYS  QD           31 GLY  HN          4.50    (#   4132:10  Preassigned    5.10, 5.65 A)
 &rst
  ixpk= 4132, nxpk= 10, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 500, 501,
 &end
#
#   19 SER  HN           20 GLY  HN          3.50    (#   4137:10  Preassigned    2.57, 2.82 A)
 &rst
  ixpk= 4137, nxpk= 10, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HN           20 GLY  HN          6.00    (#   4138:10  Preassigned    3.12, 3.96 A)
 &rst
  ixpk= 4138, nxpk= 10, iat= 266, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 SER  HB2          20 GLY  HN          4.50    (#   4139:10  Preassigned    3.77, 4.05 A)
 &rst
  ixpk= 4139, nxpk= 10, iat= 291, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HB3          20 GLY  HN          4.50    (#   4140:10  Preassigned    2.62, 3.37 A)
 &rst
  ixpk= 4140, nxpk= 10, iat= 292, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           25 THR  HN          4.50    (#   4141:10  Preassigned    2.72, 3.73 A)
 &rst
  ixpk= 4141, nxpk= 10, iat= 363, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HN           13 ASP  HN          4.50    (#   4142:10  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 4142, nxpk= 10, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  HN           12 ILE  HN          4.50    (#   4143:10  Preassigned    2.11, 2.60 A)
 &rst
  ixpk= 4143, nxpk= 10, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LEU  HN            3 GLU  HN          4.50    (#   4145:10  Preassigned    2.69, 3.07 A)
 &rst
  ixpk= 4145, nxpk= 10, iat=  50,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HN           12 ILE  HN          3.50    (#   4147:10  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 4147, nxpk= 10, iat= 183, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 ILE  QG1          12 ILE  HN          3.50    (#   4148:10  Preassigned    2.18, 3.71 A)
 &rst
  ixpk= 4148, nxpk= 10, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 155, 156,
 &end
#
#    7 ALA  HN            8 MET  HN          4.50    (#   4149:10  Preassigned    2.15, 2.35 A)
 &rst
  ixpk= 4149, nxpk= 10, iat=  94, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 SER  HA           24 SER  HN          4.50    (#   4150:10  Preassigned    2.16, 2.53 A)
 &rst
  ixpk= 4150, nxpk= 10, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HN           21 SER  HN          4.50    (#   4153:10  Preassigned    4.15, 4.59 A)
 &rst
  ixpk= 4153, nxpk= 10, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 THR  HB           27 THR  HN          4.50    (#   4154:10  Preassigned    3.49, 3.62 A)
 &rst
  ixpk= 4154, nxpk= 10, iat= 384, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HN           34 LYS  HN          4.50    (#   4155:10  Preassigned    3.23, 3.77 A)
 &rst
  ixpk= 4155, nxpk= 10, iat= 456, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HB3          38 GLU  HN          3.50    (#   4156:10  Preassigned    3.48, 3.70 A)
 &rst
  ixpk= 4156, nxpk= 10, iat= 569, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  HG3          40 GLU  HN          4.50    (#   4157:10  Preassigned    2.93, 3.96 A)
 &rst
  ixpk= 4157, nxpk= 10, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLU  HA            5 GLU  HN          4.50    (#   4163:10  Preassigned    3.13, 3.93 A)
 &rst
  ixpk= 4163, nxpk= 10, iat=  37,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HN           59 LYS  HN          3.50    (#   4167:10  Preassigned    2.77, 3.15 A)
 &rst
  ixpk= 4167, nxpk= 10, iat= 918, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  HN           66 ASP  HN          3.50    (#   4171:10  Preassigned    2.88, 3.64 A)
 &rst
  ixpk= 4171, nxpk= 10, iat=1004, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ASP  HB2          72 SER  HN          4.50    (#   4173:10  Preassigned    2.82, 3.65 A)
 &rst
  ixpk= 4173, nxpk= 10, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  QQD          47 SER  HN          4.50    (#   4174:10  Preassigned    5.44, 6.57 A)
 &rst
  ixpk= 4174, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   45 LEU  HN           46 GLN  HN          3.50    (#   4175:10  Preassigned    2.42, 2.68 A)
 &rst
  ixpk= 4175, nxpk= 10, iat= 676, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 SER  HB3          26 GLN  HN          4.50    (#   4176:10  Preassigned    3.34, 5.29 A)
 &rst
  ixpk= 4176, nxpk= 10, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HA           17 ARG  HN          3.50    (#   4177:10  Preassigned    2.25, 2.75 A)
 &rst
  ixpk= 4177, nxpk= 10, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 THR  HA           92 THR  HN          4.50    (#   4179:10  Preassigned    2.14, 2.73 A)
 &rst
  ixpk= 4179, nxpk= 10, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 GLY  QA           92 THR  HN          4.50    (#   4185:10  Preassigned    1.82, 4.38 A)
 &rst
  ixpk= 4185, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   54 VAL  HN           55 ASP  HN          3.50    (#   4187:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 4187, nxpk= 10, iat= 808, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LYS  HA           34 LYS  HN          3.50    (#   4189:10  Preassigned    2.82, 2.86 A)
 &rst
  ixpk= 4189, nxpk= 10, iat= 492, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LEU  QD2          36 LEU  HN          4.50    (#   4191:10  Preassigned    3.64, 4.98 A)
 &rst
  ixpk= 4191, nxpk= 10, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 541, 542, 543,
 &end
#
#   36 LEU  QD1          36 LEU  HN          3.50    (#   4192:10  Preassigned    2.43, 4.73 A)
 &rst
  ixpk= 4192, nxpk= 10, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 537, 538, 539,
 &end
#
#   36 LEU  HB3          36 LEU  HN          3.50    (#   4193:10  Preassigned    2.24, 2.62 A)
 &rst
  ixpk= 4193, nxpk= 10, iat= 533, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 VAL  HN           55 ASP  HN          4.50    (#   4195:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 4195, nxpk= 10, iat= 808, 824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 ALA  QB           55 ASP  HN          3.50    (#   4196:10  Preassigned    2.77, 4.68 A)
 &rst
  ixpk= 4196, nxpk= 10, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 802, 803, 804,
 &end
#
#   45 LEU  QQD          46 GLN  HN          3.50    (#   4197:10  Preassigned    3.96, 5.29 A)
 &rst
  ixpk= 4197, nxpk= 10, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   81 ILE  QD           81 ILE  HN          3.50    (#   4198:10  Double Ambig)
 &rst
  ixpk= 4198, nxpk= 10, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1229,1230,1231,
 &end
#
#   81 ILE  HG3          81 ILE  HN          3.50    (#   4199:10  Preassigned    3.54, 3.68 A)
 &rst
  ixpk= 4199, nxpk= 10, iat=1227,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HB3          13 ASP  HN          3.50    (#   4202:10  Preassigned    2.14, 2.52 A)
 &rst
  ixpk= 4202, nxpk= 10, iat= 188, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HB3           2 THR  HN          6.00    (#   4203:10  Preassigned    3.30, 4.11 A)
 &rst
  ixpk= 4203, nxpk= 10, iat=  74,  21, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HB3           4 LEU  HN          4.50    (#   4207:10  Preassigned    4.96, 5.96 A)
 &rst
  ixpk= 4207, nxpk= 10, iat=  74,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HG3           4 LEU  HN          4.50    (#   4208:10  Preassigned    4.11, 6.87 A)
 &rst
  ixpk= 4208, nxpk= 10, iat=  77,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HB3           6 ALA  HN          3.50    (#   4209:10  Preassigned    3.11, 3.59 A)
 &rst
  ixpk= 4209, nxpk= 10, iat=  74,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HN            7 ALA  HN          6.00    (#   4210:10  Preassigned    2.72, 3.24 A)
 &rst
  ixpk= 4210, nxpk= 10, iat=  69,  94, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 MET  HG3           8 MET  HN          3.50    (#   4211:10  Preassigned    4.00, 4.31 A)
 &rst
  ixpk= 4211, nxpk= 10, iat= 112, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 ILE  QG2          12 ILE  HN          3.50    (#   4214:10  Preassigned    3.85, 4.38 A)
 &rst
  ixpk= 4214, nxpk= 10, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 170, 171, 172,
 &end
#
#   78 VAL  QG1          12 ILE  HN          4.50    (#   4215:10  Preassigned    4.01, 4.20 A)
 &rst
  ixpk= 4215, nxpk= 10, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1186,1187,1188,
 &end
#
#   11 ILE  HB           12 ILE  HN          3.50    (#   4216:10  Preassigned    2.98, 3.52 A)
 &rst
  ixpk= 4216, nxpk= 10, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 ILE  HB           12 ILE  HN          3.50    (#   4217:10  Preassigned    2.98, 3.52 A)
 &rst
  ixpk= 4217, nxpk= 10, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 PHE  HB3          12 ILE  HN          4.50    (#   4219:10  Double Ambig)
 &rst
  ixpk= 4219, nxpk= 10, iat= 216, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HA           12 ILE  HN          4.50    (#   4220:10  Preassigned    3.51, 4.10 A)
 &rst
  ixpk= 4220, nxpk= 10, iat= 130, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HA2          12 ILE  HN          4.50    (#   4222:10  Preassigned    2.33, 3.56 A)
 &rst
  ixpk= 4222, nxpk= 10, iat= 123, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HN           14 VAL  HN          4.50    (#   4224:10  Preassigned    2.56, 2.87 A)
 &rst
  ixpk= 4224, nxpk= 10, iat= 211, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HB2          14 VAL  HN          3.50    (#   4225:10  Preassigned    2.19, 3.48 A)
 &rst
  ixpk= 4225, nxpk= 10, iat= 187, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HB3          14 VAL  HN          3.50    (#   4226:10  Preassigned    2.18, 2.63 A)
 &rst
  ixpk= 4226, nxpk= 10, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QQG          14 VAL  HN          3.50    (#   4227:10  Preassigned    2.18, 3.94 A)
 &rst
  ixpk= 4227, nxpk= 10, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   14 VAL  HN           15 PHE  HN          3.50    (#   4228:10  Preassigned    2.56, 2.87 A)
 &rst
  ixpk= 4228, nxpk= 10, iat= 195, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HN           15 PHE  HN          4.50    (#   4229:10  Preassigned    3.88, 4.70 A)
 &rst
  ixpk= 4229, nxpk= 10, iat= 242, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HN           16 SER  HN          4.50    (#   4232:10  Preassigned    3.92, 4.60 A)
 &rst
  ixpk= 4232, nxpk= 10, iat= 195, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB2          16 SER  HN          4.50    (#   4233:10  Preassigned    3.42, 3.93 A)
 &rst
  ixpk= 4233, nxpk= 10, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB3          16 SER  HN          4.50    (#   4234:10  Preassigned    2.41, 3.36 A)
 &rst
  ixpk= 4234, nxpk= 10, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HN           18 TYR  HN          3.50    (#   4235:10  Preassigned    2.55, 2.98 A)
 &rst
  ixpk= 4235, nxpk= 10, iat= 242, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HB2          19 SER  HN          4.50    (#   4237:10  Preassigned    2.13, 2.67 A)
 &rst
  ixpk= 4237, nxpk= 10, iat= 270, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HG           19 SER  HN          4.50    (#   4238:10  Preassigned    3.75, 5.16 A)
 &rst
  ixpk= 4238, nxpk= 10, iat= 401, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 TYR  HN           19 SER  HN          4.50    (#   4239:10  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 4239, nxpk= 10, iat= 266, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HB2          17 ARG  HN          3.50    (#   4240:10  Preassigned    4.11, 4.51 A)
 &rst
  ixpk= 4240, nxpk= 10, iat= 246, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HN           39 LYS  HN          3.50    (#   4241:10  Preassigned    1.99, 3.05 A)
 &rst
  ixpk= 4241, nxpk= 10, iat= 564, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  QD1          40 GLU  HN          4.50    (#   4242:10  Preassigned    3.51, 5.03 A)
 &rst
  ixpk= 4242, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 625, 626, 627,
 &end
#
#   78 VAL  HA           79 ALA  HN          4.50    (#   4244:10  Preassigned    3.55, 3.58 A)
 &rst
  ixpk= 4244, nxpk= 10, iat=1182,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ALA  HN            4 LEU  HN          4.50    (#   4245:10  Preassigned    3.17, 4.08 A)
 &rst
  ixpk= 4245, nxpk= 10, iat=  84,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HB2          28 LEU  HN          4.50    (#   4252:10  Preassigned    2.67, 3.25 A)
 &rst
  ixpk= 4252, nxpk= 10, iat= 398, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 SER  HA           74 PHE  HN          4.50    (#   4253:10  Preassigned    4.33, 4.76 A)
 &rst
  ixpk= 4253, nxpk= 10, iat=1081,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HB2          26 GLN  HN          3.50    (#   4255:10  Preassigned    2.25, 2.93 A)
 &rst
  ixpk= 4255, nxpk= 10, iat= 367, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HB3          26 GLN  HN          3.50    (#   4256:10  Preassigned    2.23, 2.98 A)
 &rst
  ixpk= 4256, nxpk= 10, iat= 368, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HB3          58 LEU  HN          3.50    (#   4258:10  Preassigned    2.35, 3.52 A)
 &rst
  ixpk= 4258, nxpk= 10, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 LYS  HB3          91 LYS  HN          3.50    (#   4260:10  Preassigned    2.28, 3.30 A)
 &rst
  ixpk= 4260, nxpk= 10, iat=1381,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 LYS  HB2          91 LYS  HN          3.50    (#   4261:10  Preassigned    2.63, 3.32 A)
 &rst
  ixpk= 4261, nxpk= 10, iat=1380,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HB3          77 PHE  HN          3.50    (#   4263:10  Preassigned    2.07, 2.32 A)
 &rst
  ixpk= 4263, nxpk= 10, iat=1165,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LEU  HB3          34 LYS  HN          4.50    (#   4272:10  Preassigned    5.19, 5.45 A)
 &rst
  ixpk= 4272, nxpk= 10, iat= 533, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HG           46 GLN  HN          4.50    (#   4275:10  Preassigned    4.13, 4.28 A)
 &rst
  ixpk= 4275, nxpk= 10, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 LYS  QD           89 PHE  HN          3.50    (#   4279:10  Preassigned    3.92, 4.82 A)
 &rst
  ixpk= 4279, nxpk= 10, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1386,1387,
 &end
#
#   37 MET  HA           39 LYS  HN          4.50    (#   4280:10  Preassigned    2.01, 3.85 A)
 &rst
  ixpk= 4280, nxpk= 10, iat= 549, 579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LEU  HN           57 LEU  HN          3.50    (#   4287:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 4287, nxpk= 10, iat= 877, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 VAL  HA           76 VAL  HN          4.50    (#   4289:10  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 4289, nxpk= 10, iat=1146,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  HA            2 THR  HN          4.50    (#   4290:10  Preassigned    2.28, 2.60 A)
 &rst
  ixpk= 4290, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  QD           40 GLU  HN          4.50    (#   4292:10  Preassigned    4.80, 5.55 A)
 &rst
  ixpk= 4292, nxpk= 10, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 589, 590,
 &end
#
#    3 GLU  HG2           4 LEU  HN          4.50    (#   4293:10  Preassigned    3.16, 5.21 A)
 &rst
  ixpk= 4293, nxpk= 10, iat=  42,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  QG1          79 ALA  HN          4.50    (#   4295:10  Preassigned    4.20, 5.43 A)
 &rst
  ixpk= 4295, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1135,1136,
 &end
#
#    3 GLU  HN            4 LEU  HN          4.50    (#   4298:10  Preassigned    2.69, 3.07 A)
 &rst
  ixpk= 4298, nxpk= 10, iat=  35,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLU  HG2           4 LEU  HN          4.50    (#   4300:10  Preassigned    3.46, 4.66 A)
 &rst
  ixpk= 4300, nxpk= 10, iat=  76,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HB3          30 LYS  HN          4.50    (#   4304:10  Preassigned    2.28, 2.59 A)
 &rst
  ixpk= 4304, nxpk= 10, iat= 432, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  HA           71 PHE  HN          3.50    (#   4305:10  Preassigned    2.75, 2.83 A)
 &rst
  ixpk= 4305, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 PHE  QB           71 PHE  HN          3.50    (#   4306:10  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 4306, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1063,1064,
 &end
#
#   27 THR  HA           28 LEU  HN          3.50    (#   4317:10  Preassigned    2.44, 2.65 A)
 &rst
  ixpk= 4317, nxpk= 10, iat= 382, 394, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HA           28 LEU  HN          4.50    (#   4318:10  Preassigned    2.88, 2.94 A)
 &rst
  ixpk= 4318, nxpk= 10, iat= 396, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  HA           28 LEU  HN          6.00    (#   4319:10  Preassigned    4.15, 4.39 A)
 &rst
  ixpk= 4319, nxpk= 10, iat=1033, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 MET  QG            7 ALA  HN          4.50    (#   4320:10  Preassigned    4.70, 5.50 A)
 &rst
  ixpk= 4320, nxpk= 10, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    8 MET  HG3           7 ALA  HN          4.50    (#   4321:10  Preassigned    4.70, 5.50 A)
 &rst
  ixpk= 4321, nxpk= 10, iat= 112,  94, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HA           29 THR  HN          3.50    (#   4322:10  Preassigned    2.07, 2.15 A)
 &rst
  ixpk= 4322, nxpk= 10, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LEU  HA           29 THR  HN          3.50    (#   4323:10  Preassigned    2.07, 2.15 A)
 &rst
  ixpk= 4323, nxpk= 10, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HA           26 GLN  HN          3.50    (#   4327:10  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 4327, nxpk= 10, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HB2          78 VAL  HN          3.50    (#   4335:10  Preassigned    1.96, 3.15 A)
 &rst
  ixpk= 4335, nxpk= 10, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 VAL  HA           78 VAL  HN          3.50    (#   4337:10  Preassigned    2.78, 2.81 A)
 &rst
  ixpk= 4337, nxpk= 10, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HB2          14 VAL  HN          4.50    (#   4339:10  Preassigned    5.24, 5.42 A)
 &rst
  ixpk= 4339, nxpk= 10, iat= 246, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HG2          14 VAL  HN          4.50    (#   4340:10  Preassigned    4.11, 4.67 A)
 &rst
  ixpk= 4340, nxpk= 10, iat= 249, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 VAL  HN           34 LYS  HN          4.50    (#   4341:10  Preassigned    2.61, 2.80 A)
 &rst
  ixpk= 4341, nxpk= 10, iat= 512, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ILE  QG1          13 ASP  HN          4.50    (#   4343:10  Preassigned    4.70, 5.80 A)
 &rst
  ixpk= 4343, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 155, 156,
 &end
#
#   78 VAL  QG2          77 PHE  HN          4.50    (#   4348:10  Preassigned    4.88, 6.24 A)
 &rst
  ixpk= 4348, nxpk= 10, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1190,1191,1192,
 &end
#
#    5 GLU  HB2           5 GLU  HN          4.50    (#   4350:10  Preassigned    2.47, 2.79 A)
 &rst
  ixpk= 4350, nxpk= 10, iat=  73,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HB2          46 GLN  HN          3.50    (#   4353:10  Preassigned    1.89, 2.42 A)
 &rst
  ixpk= 4353, nxpk= 10, iat= 680, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HG3          67 ALA  HN          4.50    (#   4354:10  Preassigned    4.47, 4.90 A)
 &rst
  ixpk= 4354, nxpk= 10, iat=1022,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 LYS  HA           89 PHE  HN          3.50    (#   4360:10  Preassigned    2.12, 2.29 A)
 &rst
  ixpk= 4360, nxpk= 10, iat=1378,1341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LYS  HN           57 LEU  HN          3.50    (#   4366:10  Preassigned    2.15, 2.39 A)
 &rst
  ixpk= 4366, nxpk= 10, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 LYS  HZ           95 LYS  HN          4.50    (#   4376:10  Preassigned    2.77, 5.17 A)
 &rst
  ixpk= 4376, nxpk= 10, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1454,1455,1456,
 &end
#
#   68 GLN  HA           70 ASP  HN          6.00    (#   4377:10  Preassigned    5.05, 5.41 A)
 &rst
  ixpk= 4377, nxpk= 10, iat=1016,1047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 GLU  HB2          70 ASP  HN          3.50    (#   4378:10  Preassigned    2.62, 3.30 A)
 &rst
  ixpk= 4378, nxpk= 10, iat=1094,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 THR  HN           32 GLU  HN          4.50    (#   4379:10  Preassigned    3.75, 4.05 A)
 &rst
  ixpk= 4379, nxpk= 10, iat= 413, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HA           32 GLU  HN          4.50    (#   4380:10  Preassigned    3.99, 4.25 A)
 &rst
  ixpk= 4380, nxpk= 10, iat= 429, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HN           67 ALA  HN          4.50    (#   4383:10  Preassigned    2.88, 3.64 A)
 &rst
  ixpk= 4383, nxpk= 10, iat= 992,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 GLU  HG3          90 GLU  HN          4.50    (#   4387:10  Preassigned    3.58, 4.40 A)
 &rst
  ixpk= 4387, nxpk= 10, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 GLU  HB3          90 GLU  HN          3.50    (#   4388:10  Preassigned    2.39, 2.89 A)
 &rst
  ixpk= 4388, nxpk= 10, iat=1366,1361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ILE  QD           80 ALA  HN          3.50    (#   4392:10  Double Ambig)
 &rst
  ixpk= 4392, nxpk= 10, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1229,1230,1231,
 &end
#
#   78 VAL  HA           80 ALA  HN          6.00    (#   4393:10  Preassigned    3.78, 3.86 A)
 &rst
  ixpk= 4393, nxpk= 10, iat=1182,1206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 SER  HA           73 GLU  HN          3.50    (#   4394:10  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 4394, nxpk= 10, iat=1081,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 ILE  HA           13 ASP  HN          4.50    (#   4395:10  Preassigned    3.37, 3.52 A)
 &rst
  ixpk= 4395, nxpk= 10, iat= 166, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HB3          13 ASP  HN          3.50    (#   4396:10  Preassigned    2.14, 2.52 A)
 &rst
  ixpk= 4396, nxpk= 10, iat= 188, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HN           33 LEU  HN          6.00    (#   4398:10  Preassigned    2.12, 2.27 A)
 &rst
  ixpk= 4398, nxpk= 10, iat= 456, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 GLU  QG           33 LEU  HN          4.50    (#   4399:10  Preassigned    2.60, 4.06 A)
 &rst
  ixpk= 4399, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 463, 464,
 &end
#
#   32 GLU  QB           33 LEU  HN          4.50    (#   4400:10  Preassigned    2.17, 3.39 A)
 &rst
  ixpk= 4400, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 460, 461,
 &end
#
#   28 LEU  QQD          33 LEU  HN          3.50    (#   4401:10  Preassigned    3.18, 5.23 A)
 &rst
  ixpk= 4401, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   68 GLN  HG2          30 LYS  HN          4.50    (#   4403:10  Preassigned    4.09, 4.42 A)
 &rst
  ixpk= 4403, nxpk= 10, iat=1021, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HG           28 LEU  HN          4.50    (#   4405:10  Preassigned    3.48, 4.47 A)
 &rst
  ixpk= 4405, nxpk= 10, iat= 401, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HA           14 VAL  HN          3.50    (#   4406:10  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 4406, nxpk= 10, iat= 197, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  HA           14 VAL  HN          3.50    (#   4407:10  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 4407, nxpk= 10, iat= 197, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HG2          12 ILE  HN          4.50    (#   4408:10  Preassigned    4.20, 4.77 A)
 &rst
  ixpk= 4408, nxpk= 10, iat= 111, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HN           69 VAL  HN          4.50    (#   4410:10  Preassigned    5.05, 5.44 A)
 &rst
  ixpk= 4410, nxpk= 10, iat= 427,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HA           65 GLY  HN          6.00    (#   4413:10  Preassigned    6.08, 6.88 A)
 &rst
  ixpk= 4413, nxpk= 10, iat=1006, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ALA  QB           65 GLY  HN          4.50    (#   4414:10  Preassigned    5.13, 5.81 A)
 &rst
  ixpk= 4414, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 966, 967,
 &end
#
#   19 SER  HN           20 GLY  HN          4.50    (#   4416:10  Preassigned    2.60, 2.78 A)
 &rst
  ixpk= 4416, nxpk= 10, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 SER  HA           48 GLY  HN          4.50    (#   4417:10  Preassigned    4.02, 4.05 A)
 &rst
  ixpk= 4417, nxpk= 10, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HA           20 GLY  HN          3.50    (#   4418:10  Preassigned    2.90, 3.43 A)
 &rst
  ixpk= 4418, nxpk= 10, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  QQD          48 GLY  HN          6.00    (#   4420:10  Preassigned    3.34, 5.91 A)
 &rst
  ixpk= 4420, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   70 ASP  HA           27 THR  HN          4.50    (#   4421:10  Unique         4.47, 4.93 A)
 &rst
  ixpk= 4421, nxpk= 10, iat=1049, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  QB           27 THR  HN          4.50    (#   4422:10  Preassigned    4.63, 5.93 A)
 &rst
  ixpk= 4422, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1018,1019,
 &end
#
#   84 ALA  HA           85 SER  HN          4.50    (#   4423:10  Preassigned    3.29, 3.49 A)
 &rst
  ixpk= 4423, nxpk= 10, iat=1262,1270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 THR  HB           29 THR  HN          4.50    (#   4425:10  Preassigned    3.36, 4.63 A)
 &rst
  ixpk= 4425, nxpk= 10, iat= 384, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 LYS  HA           92 THR  HN          3.50    (#   4426:10  Preassigned    2.53, 3.27 A)
 &rst
  ixpk= 4426, nxpk= 10, iat=1378,1398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HB3          72 SER  HN          6.00    (#   4428:10  Preassigned    4.76, 5.00 A)
 &rst
  ixpk= 4428, nxpk= 10, iat=1110,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 SER  HA           72 SER  HN          3.50    (#   4429:10  Preassigned    2.86, 2.89 A)
 &rst
  ixpk= 4429, nxpk= 10, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ILE  QG2          72 SER  HN          4.50    (#   4430:10  Preassigned    4.77, 5.71 A)
 &rst
  ixpk= 4430, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1131,1132,1133,
 &end
#
#   12 ILE  HA           16 SER  HN          4.50    (#   4432:10  Unique         3.73, 4.85 A)
 &rst
  ixpk= 4432, nxpk= 10, iat= 166, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 THR  HA           25 THR  HN          3.50    (#   4434:10  Preassigned    2.63, 2.80 A)
 &rst
  ixpk= 4434, nxpk= 10, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 THR  HB           25 THR  HN          3.50    (#   4435:10  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 4435, nxpk= 10, iat= 353, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLY  HA3           8 MET  HN          6.00    (#   4436:10  Preassigned    4.29, 5.24 A)
 &rst
  ixpk= 4436, nxpk= 10, iat= 124, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 LEU  HN           38 GLU  HN          4.50    (#   4440:10  Preassigned    3.48, 5.34 A)
 &rst
  ixpk= 4440, nxpk= 10, iat= 616, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLY  HA2          24 SER  HN          4.50    (#   4441:10  Preassigned    3.46, 3.70 A)
 &rst
  ixpk= 4441, nxpk= 10, iat= 333, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  QG2          84 ALA  HN          4.50    (#   4442:10  Double Ambig)
 &rst
  ixpk= 4442, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1222,1223,1224,
 &end
#
#    2 THR  HB            4 LEU  HN          4.50    (#   4443:10  Preassigned    3.36, 4.73 A)
 &rst
  ixpk= 4443, nxpk= 10, iat=  25,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  HN           74 PHE  HN          4.50    (#   4444:10  Preassigned    2.69, 2.88 A)
 &rst
  ixpk= 4444, nxpk= 10, iat=1125,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ASP  HA           55 ASP  HN          6.00    (#   4446:10  Preassigned    3.90, 4.99 A)
 &rst
  ixpk= 4446, nxpk= 10, iat= 788, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ASP  HA           55 ASP  HN          3.50    (#   4447:10  Double Ambig)
 &rst
  ixpk= 4447, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HN           59 LYS  HN          4.50    (#   4451:10  Preassigned    3.99, 4.49 A)
 &rst
  ixpk= 4451, nxpk= 10, iat= 858, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  HN           75 ILE  HN          6.00    (#   4452:10  Preassigned    5.80, 6.03 A)
 &rst
  ixpk= 4452, nxpk= 10, iat=1196,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HA           75 ILE  HN          4.50    (#   4454:10  Preassigned    5.23, 5.76 A)
 &rst
  ixpk= 4454, nxpk= 10, iat= 166,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 GLY  QA           89 PHE  HN          3.50    (#   4458:10  Double Ambig)
 &rst
  ixpk= 4458, nxpk= 10, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1414,1415,
 &end
#
#   81 ILE  QG2          82 THR  HN          3.50    (#   4462:10  Preassigned    3.37, 4.56 A)
 &rst
  ixpk= 4462, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1222,1223,1224,
 &end
#
#   78 VAL  QG1          82 THR  HN          4.50    (#   4463:10  Preassigned    4.23, 5.28 A)
 &rst
  ixpk= 4463, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1186,1187,1188,
 &end
#
#   63 ALA  HA           66 ASP  HN          4.50    (#   4465:10  Preassigned    4.52, 5.07 A)
 &rst
  ixpk= 4465, nxpk= 10, iat= 963, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HE21         46 GLN  HN          4.50    (#   4466:10  Preassigned    3.53, 4.16 A)
 &rst
  ixpk= 4466, nxpk= 10, iat= 707, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  HN           78 VAL  HN          4.50    (#   4468:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 4468, nxpk= 10, iat=1196,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HG2          78 VAL  HN          3.50    (#   4470:10)
 &rst
  ixpk= 4470, nxpk= 10, iat=1226,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HN           17 ARG  HN          4.50    (#   4471:10  Double Ambig)
 &rst
  ixpk= 4471, nxpk= 10, iat= 266, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           51 LYS  HN          3.50    (#   4472:10  Preassigned    2.76, 3.55 A)
 &rst
  ixpk= 4472, nxpk= 10, iat= 732, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 PHE  HA           15 PHE  HN          3.50    (#   4475:10  Preassigned    2.18, 2.63 A)
 &rst
  ixpk= 4475, nxpk= 10, iat= 213, 211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ARG  HG2          15 PHE  HN          4.50    (#   4476:10  Preassigned    4.38, 5.61 A)
 &rst
  ixpk= 4476, nxpk= 10, iat= 249, 211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HA           75 ILE  HN          4.50    (#   4477:10  Preassigned    5.23, 5.76 A)
 &rst
  ixpk= 4477, nxpk= 10, iat= 166,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  HB2          75 ILE  HN          4.50    (#   4478:10  Preassigned    3.78, 4.04 A)
 &rst
  ixpk= 4478, nxpk= 10, iat=1109,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  QB           75 ILE  HN          6.00    (#   4480:10  Unique         5.06, 5.90 A)
 &rst
  ixpk= 4480, nxpk= 10, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1063,1064,
 &end
#
#   77 PHE  HB2          78 VAL  HN          3.50    (#   4484:10  Preassigned    1.96, 3.15 A)
 &rst
  ixpk= 4484, nxpk= 10, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 SER  HN           81 ILE  HN          6.00    (#   4485:10  Preassigned    5.78, 6.07 A)
 &rst
  ixpk= 4485, nxpk= 10, iat=1270,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 VAL  HN           81 ILE  HN          6.00    (#   4487:10  Preassigned    4.79, 4.89 A)
 &rst
  ixpk= 4487, nxpk= 10, iat=1180,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA  HN           81 ILE  HN          6.00    (#   4488:10  Preassigned    4.16, 4.42 A)
 &rst
  ixpk= 4488, nxpk= 10, iat=1196,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 VAL  HA           81 ILE  HN          6.00    (#   4490:10  Preassigned    3.07, 3.23 A)
 &rst
  ixpk= 4490, nxpk= 10, iat=1182,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 PHE  HB2          81 ILE  HN          6.00    (#   4491:10  Preassigned    5.81, 6.20 A)
 &rst
  ixpk= 4491, nxpk= 10, iat=1164,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 LYS  HN           55 ASP  HN          3.50    (#   4493:10  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 4493, nxpk= 10, iat= 836, 824, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 MET  HN           36 LEU  HN          4.50    (#   4494:10  Preassigned    2.23, 3.11 A)
 &rst
  ixpk= 4494, nxpk= 10, iat= 547, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 VAL  HN           36 LEU  HN          4.50    (#   4495:10  Preassigned    1.97, 2.30 A)
 &rst
  ixpk= 4495, nxpk= 10, iat= 512, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HG3          36 LEU  HN          4.50    (#   4497:10  Preassigned    4.54, 5.00 A)
 &rst
  ixpk= 4497, nxpk= 10, iat= 587, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HG2          36 LEU  HN          4.50    (#   4498:10  Preassigned    4.62, 4.99 A)
 &rst
  ixpk= 4498, nxpk= 10, iat= 586, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           22 GLU  HN          3.50    (#   4499:10  Preassigned    2.55, 2.88 A)
 &rst
  ixpk= 4499, nxpk= 10, iat= 318, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  HA           22 GLU  HN          3.50    (#   4500:10  Preassigned    2.15, 3.22 A)
 &rst
  ixpk= 4500, nxpk= 10, iat= 307, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 ASP  HN           51 LYS  HN          3.50    (#   4501:10  Preassigned    2.20, 2.82 A)
 &rst
  ixpk= 4501, nxpk= 10, iat= 752, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HA           41 LEU  HN          6.00    (#   4502:10  Preassigned    2.05, 2.73 A)
 &rst
  ixpk= 4502, nxpk= 10, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HA           12 ILE  HN          4.50    (#   4503:10  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 4503, nxpk= 10, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HA           12 ILE  HN          4.50    (#   4504:10  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 4504, nxpk= 10, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB2          12 ILE  HN          6.00    (#   4505:10  Preassigned    5.37, 6.08 A)
 &rst
  ixpk= 4505, nxpk= 10, iat= 215, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 PHE  QB           91 LYS  HN          3.50    (#   4506:10  Preassigned    2.79, 4.36 A)
 &rst
  ixpk= 4506, nxpk= 10, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1345,1346,
 &end
#
#   59 LYS  HN           60 ASP  HN          3.50    (#   4507:10  Preassigned    2.77, 3.15 A)
 &rst
  ixpk= 4507, nxpk= 10, iat= 896, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  HN           60 ASP  HN          4.50    (#   4508:10  Preassigned    4.27, 4.44 A)
 &rst
  ixpk= 4508, nxpk= 10, iat= 949, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HA           68 GLN  HN          3.50    (#   4509:10  Preassigned    3.44, 3.54 A)
 &rst
  ixpk= 4509, nxpk= 10, iat=1006,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 MET  HG2          36 LEU  HN          3.50    (#   4511:10  Preassigned    3.17, 4.08 A)
 &rst
  ixpk= 4511, nxpk= 10, iat= 554, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 THR  QG            5 GLU  HN          3.50    (#   4512:10  Preassigned    3.34, 4.75 A)
 &rst
  ixpk= 4512, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  27,  28,  29,
 &end
#
#   70 ASP  HB3          70 ASP  HN          4.50    (#   4513:10  Preassigned    2.27, 2.93 A)
 &rst
  ixpk= 4513, nxpk= 10, iat=1052,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  HN           81 ILE  HN          4.50    (#   4514:10  Preassigned    2.51, 2.69 A)
 &rst
  ixpk= 4514, nxpk= 10, iat=1235,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLY  HN           25 THR  HN          4.50    (#   4515:10  Preassigned    4.81, 6.77 A)
 &rst
  ixpk= 4515, nxpk= 10, iat= 331, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 VAL  QG2          68 GLN  HN          4.50    (#   4516:10  Preassigned    4.64, 5.93 A)
 &rst
  ixpk= 4516, nxpk= 10, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#    5 GLU  HG3           6 ALA  HN          4.50    (#   4518:10  Preassigned    3.35, 4.49 A)
 &rst
  ixpk= 4518, nxpk= 10, iat=  77,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HG3          30 LYS  HN          4.50    (#   4519:10  Preassigned    4.32, 4.97 A)
 &rst
  ixpk= 4519, nxpk= 10, iat=1022, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HG3          75 ILE  HN          6.00    (#   4520:10  Preassigned    4.89, 5.53 A)
 &rst
  ixpk= 4520, nxpk= 10, iat=1098,1125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  QD1          55 ASP  HN          4.50    (#   4525:10  Preassigned    5.33, 6.64 A)
 &rst
  ixpk= 4525, nxpk= 10, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 482,
 &end
#
#   28 LEU  QQD          29 THR  HN          4.50    (#   4526:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 4526, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   28 LEU  HB2          29 THR  HN          4.50    (#   4527:10  Preassigned    2.73, 3.80 A)
 &rst
  ixpk= 4527, nxpk= 10, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 SER  HA           76 VAL  HN          4.50    (#   4529:10  Preassigned    4.06, 4.40 A)
 &rst
  ixpk= 4529, nxpk= 10, iat=1081,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  QG           32 GLU  HN          3.50    (#   4530:10  Preassigned    2.33, 4.00 A)
 &rst
  ixpk= 4530, nxpk= 10, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
#   32 GLU  QB           32 GLU  HN          4.50    (#   4531:10  Preassigned    2.12, 2.72 A)
 &rst
  ixpk= 4531, nxpk= 10, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 460, 461,
 &end
#
#   11 ILE  QD            8 MET  HN          4.50    (#   4535:10  Preassigned    3.82, 5.15 A)
 &rst
  ixpk= 4535, nxpk= 10, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 158, 159, 160,
 &end
#
#   84 ALA  HA           83 SER  HN          6.00    (#   4539:10  Preassigned    4.99, 5.24 A)
 &rst
  ixpk= 4539, nxpk= 10, iat=1262,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ALA  HA           67 ALA  HN          4.50    (#   4542:10  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 4542, nxpk= 10, iat=1006,1004, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLY  QA           33 LEU  HN          4.50    (#   4543:10  Preassigned    4.57, 4.88 A)
 &rst
  ixpk= 4543, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#   55 ASP  HA           55 ASP  HN          4.50    (#   4546:10  Preassigned    2.14, 2.62 A)
 &rst
  ixpk= 4546, nxpk= 10, iat= 826, 824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 SER  QB           22 GLU  HN          3.50    (#   4547:10  Preassigned    2.32, 3.54 A)
 &rst
  ixpk= 4547, nxpk= 10, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 310,
 &end
#
#   28 LEU  HG           19 SER  HN          4.50    (#   4557:10  Preassigned    3.75, 5.16 A)
 &rst
  ixpk= 4557, nxpk= 10, iat= 401, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  QG2          13 ASP  HN          4.50    (#   4564:10  Preassigned    3.12, 4.27 A)
 &rst
  ixpk= 4564, nxpk= 10, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 170, 171, 172,
 &end
#
#   58 LEU  QD1          69 VAL  HN          3.50    (#   4565:10  Unique         2.57, 4.62 A)
 &rst
  ixpk= 4565, nxpk= 10, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   83 SER  HA           83 SER  HN          4.50    (#   4569:10  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 4569, nxpk= 10, iat=1251,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  QD           12 ILE  HN          4.50    (#   4570:10  Preassigned    3.44, 4.55 A)
 &rst
  ixpk= 4570, nxpk= 10, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138,1139,1140,
 &end
#
#   75 ILE  QD           12 ILE  HN          4.50    (#   4571:10  Preassigned    3.44, 4.55 A)
 &rst
  ixpk= 4571, nxpk= 10, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138,1139,1140,
 &end
#
#   92 THR  HA           93 GLY  HN          4.50    (#   4575:10  Preassigned    2.19, 3.41 A)
 &rst
  ixpk= 4575, nxpk= 10, iat=1400,1412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 GLY  QA           93 GLY  HN          4.50    (#   4576:10  Preassigned    2.31, 2.69 A)
 &rst
  ixpk= 4576, nxpk= 10, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   94 LEU  HN           89 PHE  HN          4.50    (#   4577:10  Double Ambig)
 &rst
  ixpk= 4577, nxpk= 10, iat=1419,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           10 MET  HN          4.50    (#   4578:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 4578, nxpk= 10, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           32 GLU  HN          4.50    (#   4581:10  Preassigned    2.90, 2.95 A)
 &rst
  ixpk= 4581, nxpk= 10, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 THR  HB           25 THR  HN          3.50    (#   4585:10  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 4585, nxpk= 10, iat= 353, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 ALA  HA           83 SER  HN          4.50    (#   4589:10  Preassigned    4.64, 4.83 A)
 &rst
  ixpk= 4589, nxpk= 10, iat=1198,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 PHE  HA           78 VAL  HN          3.50    (#   4590:10  Preassigned    3.50, 3.55 A)
 &rst
  ixpk= 4590, nxpk= 10, iat=1162,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 ALA  QB           54 VAL  HN          4.50    (#   4593:10  Preassigned    3.28, 4.14 A)
 &rst
  ixpk= 4593, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 802, 803, 804,
 &end
#
#   59 LYS  HG2          59 LYS  HN          3.50    (#   4594:10  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 4594, nxpk= 10, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HG           32 GLU  HN          4.50    (#   4595:10  Preassigned    5.25, 5.75 A)
 &rst
  ixpk= 4595, nxpk= 10, iat= 401, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           26 GLN  HN          4.50    (#   4602:10  Double Ambig)
 &rst
  ixpk= 4602, nxpk= 10, iat= 318, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 GLY  HN          127 GLU  HN          6.00    (#   5112:10  Preassigned    2.66, 2.75 A)
 &rst
  ixpk= 5112, nxpk= 10, iat=1908,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  126 GLY  HN          125 LYS  HN          4.50    (#   5113:10  Preassigned    2.93, 3.11 A)
 &rst
  ixpk= 5113, nxpk= 10, iat=1908,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  HN          123 LEU  HN          4.50    (#   5118:10  Unique         2.99, 3.49 A)
 &rst
  ixpk= 5118, nxpk= 10, iat=2490,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  HN          165 ASP  HN          6.00    (#   5121:10  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 5121, nxpk= 10, iat=2490,2506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  174 ALA  HN          175 ALA  HN          4.50    (#   5164:10  Preassigned    2.82, 2.90 A)
 &rst
  ixpk= 5164, nxpk= 10, iat=2655,2665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  HN          173 VAL  HN          4.50    (#   5171:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 5171, nxpk= 10, iat=2655,2639, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 SER  HN          112 ARG  HN          6.00    (#   5186:10  Preassigned    1.89, 3.24 A)
 &rst
  ixpk= 5186, nxpk= 10, iat=1690,1701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  111 SER  HN          110 PHE  HN          4.50    (#   5189:10  Preassigned    2.50, 2.98 A)
 &rst
  ixpk= 5189, nxpk= 10, iat=1690,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LEU  HN          129 LYS  HN          6.00    (#   5196:10  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 5196, nxpk= 10, iat=1930,1949, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 ALA  HN          100 GLU  HN          4.50    (#   5203:10  Single         0.00, 0.00)
 &rst
  ixpk= 5203, nxpk= 10, iat=1543,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  169 PHE  HN          168 GLU  HN          3.50    (#   5205:10  Preassigned    2.21, 2.34 A)
 &rst
  ixpk= 5205, nxpk= 10, iat=2564,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HN          170 ILE  HN          4.50    (#   5211:10  Unique         2.69, 2.88 A)
 &rst
  ixpk= 5211, nxpk= 10, iat=2564,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LEU  HN          127 GLU  HN          4.50    (#   5225:10  Preassigned    2.12, 2.27 A)
 &rst
  ixpk= 5225, nxpk= 10, iat=1930,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HN          166 PHE  HN          4.50    (#   5241:10  Preassigned    4.54, 4.63 A)
 &rst
  ixpk= 5241, nxpk= 10, iat=2506,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLU  HN          134 LYS  HN          4.50    (#   5258:10  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 5258, nxpk= 10, iat=2060,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  HN          167 SER  HN          4.50    (#   5265:10  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 5265, nxpk= 10, iat=2518,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HN          133 GLU  HN          4.50    (#   5277:10  Preassigned    2.34, 3.76 A)
 &rst
  ixpk= 5277, nxpk= 10, iat=2006,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HN          122 THR  HN          4.50    (#   5294:10  Preassigned    1.97, 3.44 A)
 &rst
  ixpk= 5294, nxpk= 10, iat=1822,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HN          126 GLY  HN          4.50    (#   5300:10  Preassigned    2.93, 3.11 A)
 &rst
  ixpk= 5300, nxpk= 10, iat=1886,1908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HN          172 PHE  HN          4.50    (#   5392:10  Preassigned    2.88, 3.03 A)
 &rst
  ixpk= 5392, nxpk= 10, iat=2639,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HN          162 ALA  HN          3.50    (#   5402:10  Preassigned    1.74, 1.90 A)
 &rst
  ixpk= 5402, nxpk= 10, iat=2473,2463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HN          149 VAL  HN          4.50    (#   5448:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 5448, nxpk= 10, iat=2283,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  131 LEU  HN          132 MET  HN          4.50    (#   5480:10  Preassigned    2.23, 3.11 A)
 &rst
  ixpk= 5480, nxpk= 10, iat=1987,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  HN          178 SER  HN          4.50    (#   5493:10  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 5493, nxpk= 10, iat=2694,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HN          165 ASP  HN          4.50    (#   5503:10  Preassigned    3.63, 3.97 A)
 &rst
  ixpk= 5503, nxpk= 10, iat=2549,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HN          169 PHE  HN          4.50    (#   5505:10  Preassigned    2.21, 2.34 A)
 &rst
  ixpk= 5505, nxpk= 10, iat=2549,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HN          132 MET  HN          4.50    (#   5558:10  Preassigned    2.34, 3.76 A)
 &rst
  ixpk= 5558, nxpk= 10, iat=2023,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  167 SER  HN          166 PHE  HN          4.50    (#   5563:10  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 5563, nxpk= 10, iat=2538,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HN          101 ALA  HN          4.50    (#   5586:10  Preassigned    2.13, 2.42 A)
 &rst
  ixpk= 5586, nxpk= 10, iat=1528,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 THR  HN          121 GLN  HN          6.00    (#   5588:10  Preassigned    1.97, 3.44 A)
 &rst
  ixpk= 5588, nxpk= 10, iat=1839,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HN          101 ALA  HN          4.50    (#   5601:10  Preassigned    2.13, 2.42 A)
 &rst
  ixpk= 5601, nxpk= 10, iat=1528,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  HN          169 PHE  HN          4.50    (#   5603:10  Preassigned    2.69, 2.88 A)
 &rst
  ixpk= 5603, nxpk= 10, iat=2584,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HN           99 LEU  HN          6.00    (#   5605:10  Preassigned    2.21, 2.46 A)
 &rst
  ixpk= 5605, nxpk= 10, iat=1528,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HN           99 LEU  HN          6.00    (#   5606:10  Preassigned    2.21, 2.46 A)
 &rst
  ixpk= 5606, nxpk= 10, iat=1528,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  144 LYS  HN          145 ASP  HN          3.50    (#   5609:10  Preassigned    3.04, 3.46 A)
 &rst
  ixpk= 5609, nxpk= 10, iat=2189,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HN          173 VAL  HN          3.50    (#   5611:10  Preassigned    2.88, 3.03 A)
 &rst
  ixpk= 5611, nxpk= 10, iat=2619,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  184 PHE  HN          185 GLU  HN          4.50    (#   5638:10  Preassigned    2.59, 3.70 A)
 &rst
  ixpk= 5638, nxpk= 10, iat=2800,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  178 SER  HN          177 THR  HN          4.50    (#   5647:10  Preassigned    2.75, 2.89 A)
 &rst
  ixpk= 5647, nxpk= 10, iat=2708,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HN          111 SER  HN          4.50    (#   5650:10  Preassigned    2.50, 2.98 A)
 &rst
  ixpk= 5650, nxpk= 10, iat=1670,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  136 LEU  HN          134 LYS  HN          4.50    (#   5674:10  Preassigned    3.01, 4.11 A)
 &rst
  ixpk= 5674, nxpk= 10, iat=2075,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  136 LEU  HN          135 GLU  HN          4.50    (#   5679:10  Preassigned    2.13, 3.01 A)
 &rst
  ixpk= 5679, nxpk= 10, iat=2075,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 GLY  HN          114 SER  HN          3.50    (#   5693:10  Preassigned    2.57, 2.82 A)
 &rst
  ixpk= 5693, nxpk= 10, iat=1757,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 MET  HN          103 MET  HN          6.00    (#   5723:10  Preassigned    3.12, 3.73 A)
 &rst
  ixpk= 5723, nxpk= 10, iat=1587,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HN          111 SER  HN          4.50    (#   5725:10  Preassigned    1.89, 3.24 A)
 &rst
  ixpk= 5725, nxpk= 10, iat=1701,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  158 ALA  HN          157 ASP  HN          3.50    (#   5751:10  Preassigned    3.07, 3.31 A)
 &rst
  ixpk= 5751, nxpk= 10, iat=2420,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 GLU  HN          124 THR  HN          6.00    (#   5755:10  Preassigned    3.75, 4.05 A)
 &rst
  ixpk= 5755, nxpk= 10, iat=1915,1872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  139 PHE  HN          138 GLY  HN          4.50    (#   5767:10  Preassigned    2.73, 3.30 A)
 &rst
  ixpk= 5767, nxpk= 10, iat=2115,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 GLN  HN          142 SER  HN          3.50    (#   5779:10  Preassigned    1.76, 3.22 A)
 &rst
  ixpk= 5779, nxpk= 10, iat=2154,2171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HN          157 ASP  HN          3.50    (#   5793:10  Preassigned    1.97, 2.44 A)
 &rst
  ixpk= 5793, nxpk= 10, iat=2389,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  161 ASP  HN          160 GLY  HN          4.50    (#   5802:10  Preassigned    1.80, 2.71 A)
 &rst
  ixpk= 5802, nxpk= 10, iat=2451,2444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  157 ASP  HN          156 LEU  HN          3.50    (#   5863:10  Preassigned    1.97, 2.44 A)
 &rst
  ixpk= 5863, nxpk= 10, iat=2408,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HN          112 ARG  HN          3.50    (#   5868:10  Double         0.00, 0.00)
 &rst
  ixpk= 5868, nxpk= 10, iat=1725,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  HN          158 ALA  HN          3.50    (#   5869:10  Preassigned    3.07, 3.31 A)
 &rst
  ixpk= 5869, nxpk= 10, iat=2408,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HN          153 LEU  HN          4.50    (#   5883:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 5883, nxpk= 10, iat=2317,2336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  171 VAL  HN          172 PHE  HN          4.50    (#   5890:10  Preassigned    2.46, 2.57 A)
 &rst
  ixpk= 5890, nxpk= 10, iat=2603,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  139 PHE  HE1         139 PHE  HN          6.00    (#   5892:10  Preassigned    4.31, 4.99 A)
 &rst
  ixpk= 5892, nxpk= 10, iat=2125,2115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  171 VAL  HN          173 VAL  HN          6.00    (#   5896:10  Preassigned    4.06, 4.31 A)
 &rst
  ixpk= 5896, nxpk= 10, iat=2603,2639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         110 PHE  HN          6.00    (#   5915:10  Preassigned    3.47, 4.07 A)
 &rst
  ixpk= 5915, nxpk= 10, iat=2574,1670, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         173 VAL  HN          6.00    (#   5918:10  Unique         4.85, 5.86 A)
 &rst
  ixpk= 5918, nxpk= 10, iat=2574,2639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         169 PHE  HN          6.00    (#   5919:10  Preassigned    6.45, 6.77 A)
 &rst
  ixpk= 5919, nxpk= 10, iat=2574,2564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  134 LYS  HN          133 GLU  HN          4.50    (#   5928:10  Preassigned    1.99, 3.05 A)
 &rst
  ixpk= 5928, nxpk= 10, iat=2038,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HN          135 GLU  HN          4.50    (#   5931:10  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 5931, nxpk= 10, iat=2038,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  152 LEU  HN          151 LYS  HN          4.50    (#   5997:10  Preassigned    2.15, 2.39 A)
 &rst
  ixpk= 5997, nxpk= 10, iat=2317,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HA          165 ASP  HN          4.50    (#   6170:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 6170, nxpk= 10, iat=2508,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 THR  HA          123 LEU  HN          3.50    (#   6171:10  Preassigned    2.44, 2.65 A)
 &rst
  ixpk= 6171, nxpk= 10, iat=1841,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 THR  HA          164 VAL  HN          4.50    (#   6172:10  Preassigned    3.37, 3.82 A)
 &rst
  ixpk= 6172, nxpk= 10, iat=1874,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HA          166 PHE  HN          3.50    (#   6173:10  Preassigned    2.23, 2.45 A)
 &rst
  ixpk= 6173, nxpk= 10, iat=2508,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 THR  HA          125 LYS  HN          4.50    (#   6177:10  Preassigned    2.24, 2.39 A)
 &rst
  ixpk= 6177, nxpk= 10, iat=1874,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 THR  HB           98 GLU  HN          3.50    (#   6178:10  Preassigned    2.17, 3.37 A)
 &rst
  ixpk= 6178, nxpk= 10, iat=1484,1494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 THR  HB          125 LYS  HN          4.50    (#   6181:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 6181, nxpk= 10, iat=1876,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 THR  HA          122 THR  HN          4.50    (#   6301:10  Double         0.00, 0.00)
 &rst
  ixpk= 6301, nxpk= 10, iat=1841,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HA          159 ASN  HN          4.50    (#   6304:10  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 6304, nxpk= 10, iat=2432,2430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLU  HA          135 GLU  HN          4.50    (#   6306:10  Preassigned    2.41, 2.75 A)
 &rst
  ixpk= 6306, nxpk= 10, iat=2062,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HA          160 GLY  HN          4.50    (#   6444:10  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 6444, nxpk= 10, iat=2432,2444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  189 LEU  HA          190 LYS  HN          3.50    (#   6469:10  Preassigned    3.17, 3.32 A)
 &rst
  ixpk= 6469, nxpk= 10, iat=2880,2897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  164 VAL  HA          164 VAL  HN          3.50    (#   6484:10  Preassigned    2.47, 2.77 A)
 &rst
  ixpk= 6484, nxpk= 10, iat=2492,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HA          125 LYS  HN          4.50    (#   6490:10  Unique         4.13, 4.44 A)
 &rst
  ixpk= 6490, nxpk= 10, iat=2475,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 THR  HA           98 GLU  HN          3.50    (#   6501:10  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 6501, nxpk= 10, iat=1482,1494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  164 VAL  HA          163 GLN  HN          6.00    (#   6504:10  Preassigned    5.01, 5.18 A)
 &rst
  ixpk= 6504, nxpk= 10, iat=2492,2473, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  164 VAL  HA          164 VAL  HN          3.50    (#   6529:10  Preassigned    2.47, 2.77 A)
 &rst
  ixpk= 6529, nxpk= 10, iat=2492,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  155 ASP  HA          155 ASP  HN          3.50    (#   6533:10  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 6533, nxpk= 10, iat=2379,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 ALA  HA          102 ALA  HN          3.50    (#   6536:10  Preassigned    2.94, 2.97 A)
 &rst
  ixpk= 6536, nxpk= 10, iat=1555,1553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  181 HIS  HA          184 PHE  HN          3.50    (#   6547:10  Preassigned    3.10, 3.93 A)
 &rst
  ixpk= 6547, nxpk= 10, iat=2742,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  155 ASP  HA          156 LEU  HN          4.50    (#   6562:10  Preassigned    3.31, 3.37 A)
 &rst
  ixpk= 6562, nxpk= 10, iat=2379,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HA          155 ASP  HN          3.50    (#   6565:10  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 6565, nxpk= 10, iat=2379,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 MET  HA          106 ILE  HN          4.50    (#   6570:10  Preassigned    3.28, 3.57 A)
 &rst
  ixpk= 6570, nxpk= 10, iat=1589,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HA          105 MET  HN          3.50    (#   6574:10  Preassigned    2.82, 2.87 A)
 &rst
  ixpk= 6574, nxpk= 10, iat=1589,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  158 ALA  HA          158 ALA  HN          3.50    (#   6582:10  Preassigned    2.65, 2.78 A)
 &rst
  ixpk= 6582, nxpk= 10, iat=2422,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 ALA  HA          102 ALA  HN          3.50    (#   6589:10  Preassigned    2.05, 3.04 A)
 &rst
  ixpk= 6589, nxpk= 10, iat=1545,1553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  162 ALA  HA          162 ALA  HN          4.50    (#   6598:10  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 6598, nxpk= 10, iat=2465,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  179 ALA  HA          179 ALA  HN          4.50    (#   6623:10  Preassigned    2.83, 2.91 A)
 &rst
  ixpk= 6623, nxpk= 10, iat=2721,2719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  152 LEU  HA          153 LEU  HN          3.50    (#   6629:10  Preassigned    3.20, 3.42 A)
 &rst
  ixpk= 6629, nxpk= 10, iat=2319,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HA          152 LEU  HN          3.50    (#   6638:10  Preassigned    2.89, 2.94 A)
 &rst
  ixpk= 6638, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 THR  HB          164 VAL  HN          6.00    (#   6645:10  Preassigned    3.29, 3.74 A)
 &rst
  ixpk= 6645, nxpk= 10, iat=1843,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  151 LYS  HA          152 LEU  HN          3.50    (#   6646:10  Preassigned    3.19, 3.44 A)
 &rst
  ixpk= 6646, nxpk= 10, iat=2297,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HA          154 LYS  HN          4.50    (#   6651:10  Preassigned    4.06, 4.79 A)
 &rst
  ixpk= 6651, nxpk= 10, iat=2319,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HA          140 LEU  HN          3.50    (#   6652:10  Preassigned    4.12, 4.76 A)
 &rst
  ixpk= 6652, nxpk= 10, iat=2104,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 ALA  HA          101 ALA  HN          3.50    (#   6654:10  Preassigned    2.33, 2.79 A)
 &rst
  ixpk= 6654, nxpk= 10, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  144 LYS  HA          144 LYS  HN          4.50    (#   6666:10  Preassigned    2.20, 2.51 A)
 &rst
  ixpk= 6666, nxpk= 10, iat=2191,2189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  169 PHE  HA          169 PHE  HN          4.50    (#   6673:10  Preassigned    2.70, 2.82 A)
 &rst
  ixpk= 6673, nxpk= 10, iat=2566,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 GLU  HA           99 LEU  HN          4.50    (#   6679:10  Preassigned    3.43, 3.54 A)
 &rst
  ixpk= 6679, nxpk= 10, iat=1496,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  HB          178 SER  HN          4.50    (#   6683:10  Preassigned    2.55, 3.53 A)
 &rst
  ixpk= 6683, nxpk= 10, iat=2698,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  185 GLU  HA          185 GLU  HN          3.50    (#   6685:10  Preassigned    2.88, 2.93 A)
 &rst
  ixpk= 6685, nxpk= 10, iat=2822,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  130 VAL  HA          131 LEU  HN          3.50    (#   6707:10  Preassigned    3.32, 3.40 A)
 &rst
  ixpk= 6707, nxpk= 10, iat=1973,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HA          155 ASP  HN          3.50    (#   6711:10  Preassigned    3.52, 3.56 A)
 &rst
  ixpk= 6711, nxpk= 10, iat=2357,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 THR  HB          123 LEU  HN          3.50    (#   6713:10  Preassigned    2.18, 2.32 A)
 &rst
  ixpk= 6713, nxpk= 10, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  148 ALA  HA          152 LEU  HN          3.50    (#   6716:10  Preassigned    2.48, 3.40 A)
 &rst
  ixpk= 6716, nxpk= 10, iat=2259,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  144 LYS  HA          145 ASP  HN          3.50    (#   6720:10  Preassigned    2.02, 2.09 A)
 &rst
  ixpk= 6720, nxpk= 10, iat=2191,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HA          154 LYS  HN          3.50    (#   6733:10  Preassigned    2.52, 2.75 A)
 &rst
  ixpk= 6733, nxpk= 10, iat=2357,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  140 LEU  HA          140 LEU  HN          3.50    (#   6734:10  Preassigned    2.75, 2.93 A)
 &rst
  ixpk= 6734, nxpk= 10, iat=2137,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  188 GLY  QA          185 GLU  HN          3.50    (#   6750:10  Double         0.00, 0.00)
 &rst
  ixpk= 6750, nxpk= 10, iat=  -1,2820, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2873,2874,
 &end
#
#  175 ALA  HA          175 ALA  HN          3.50    (#   6751:10  Preassigned    2.93, 2.96 A)
 &rst
  ixpk= 6751, nxpk= 10, iat=2667,2665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 GLY  QA          117 GLU  HN          4.50    (#   6754:10  Preassigned    3.00, 4.96 A)
 &rst
  ixpk= 6754, nxpk= 10, iat=  -1,1775, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1759,1760,
 &end
#
#  153 LEU  HA          156 LEU  HN          3.50    (#   6762:10  Preassigned    3.68, 4.00 A)
 &rst
  ixpk= 6762, nxpk= 10, iat=2338,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 GLN  HA          120 THR  HN          3.50    (#   6789:10  Preassigned    2.13, 4.11 A)
 &rst
  ixpk= 6789, nxpk= 10, iat=1824,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  HA          116 SER  HN          3.50    (#   6795:10  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 6795, nxpk= 10, iat=1766,1764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  HA          157 ASP  HN          3.50    (#   6796:10  Preassigned    2.48, 2.67 A)
 &rst
  ixpk= 6796, nxpk= 10, iat=2410,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   96 MET  HA           97 THR  HN          4.50    (#   6799:10  Preassigned    2.28, 2.60 A)
 &rst
  ixpk= 6799, nxpk= 10, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HA          151 LYS  HN          4.50    (#   6816:10  Preassigned    3.47, 3.50 A)
 &rst
  ixpk= 6816, nxpk= 10, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  158 ALA  HA          159 ASN  HN          3.50    (#   6818:10  Preassigned    3.45, 3.48 A)
 &rst
  ixpk= 6818, nxpk= 10, iat=2422,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HA          133 GLU  HN          4.50    (#   6821:10  Preassigned    2.24, 4.22 A)
 &rst
  ixpk= 6821, nxpk= 10, iat=2040,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HA          134 LYS  HN          3.50    (#   6825:10  Preassigned    2.29, 2.71 A)
 &rst
  ixpk= 6825, nxpk= 10, iat=2040,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  179 ALA  HA          180 SER  HN          4.50    (#   6833:10  Preassigned    3.29, 3.49 A)
 &rst
  ixpk= 6833, nxpk= 10, iat=2721,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 THR  HB          163 GLN  HE22        6.00    (#   6839:10  Preassigned    5.67, 6.10 A)
 &rst
  ixpk= 6839, nxpk= 10, iat=1812,2486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  152 LEU  HA          151 LYS  HN          4.50    (#   6841:10  Preassigned    4.75, 5.03 A)
 &rst
  ixpk= 6841, nxpk= 10, iat=2319,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 GLN  HA          141 GLN  HN          3.50    (#   6850:10  Preassigned    2.19, 2.36 A)
 &rst
  ixpk= 6850, nxpk= 10, iat=2156,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  177 THR  HB          177 THR  HN          4.50    (#   6854:10  Preassigned    2.09, 2.81 A)
 &rst
  ixpk= 6854, nxpk= 10, iat=2698,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HA          114 SER  HN          3.50    (#   6857:10  Preassigned    2.74, 2.86 A)
 &rst
  ixpk= 6857, nxpk= 10, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 ALA  HA          103 MET  HN          6.00    (#   6858:10  Preassigned    3.81, 4.86 A)
 &rst
  ixpk= 6858, nxpk= 10, iat=1545,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HA          113 TYR  HN          3.50    (#   6877:10  Preassigned    3.27, 3.48 A)
 &rst
  ixpk= 6877, nxpk= 10, iat=1703,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  142 SER  QB          142 SER  HN          3.50    (#   6880:10  Preassigned    2.38, 2.86 A)
 &rst
  ixpk= 6880, nxpk= 10, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2175,2176,
 &end
#
#  143 GLY  QA          142 SER  HN          3.50    (#   6881:10  Preassigned    2.15, 3.34 A)
 &rst
  ixpk= 6881, nxpk= 10, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2184,2185,
 &end
#
#  114 SER  HA          114 SER  HN          3.50    (#   6887:10  Preassigned    2.74, 2.86 A)
 &rst
  ixpk= 6887, nxpk= 10, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 GLY  QA          111 SER  HN          4.50    (#   6889:10  Unique         1.85, 4.40 A)
 &rst
  ixpk= 6889, nxpk= 10, iat=  -1,1690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1759,1760,
 &end
#
#  148 ALA  HA          151 LYS  HN          4.50    (#   6895:10  Unique         2.84, 3.13 A)
 &rst
  ixpk= 6895, nxpk= 10, iat=2259,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  175 ALA  HA          177 THR  HN          4.50    (#   6896:10  Preassigned    4.15, 4.43 A)
 &rst
  ixpk= 6896, nxpk= 10, iat=2667,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HA          141 GLN  HN          3.50    (#   6904:10  Double         0.00, 0.00)
 &rst
  ixpk= 6904, nxpk= 10, iat=2137,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 SER  HB2         119 SER  HN          3.50    (#   6907:10  Preassigned    2.51, 3.08 A)
 &rst
  ixpk= 6907, nxpk= 10, iat=1801,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  QB          116 SER  HN          3.50    (#   6908:10  Preassigned    3.06, 3.64 A)
 &rst
  ixpk= 6908, nxpk= 10, iat=  -1,1764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1768,1769,
 &end
#
#  119 SER  HA          118 GLY  HN          3.50    (#   6934:10  Preassigned    3.63, 3.76 A)
 &rst
  ixpk= 6934, nxpk= 10, iat=1799,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 GLY  QA          115 GLY  HN          3.50    (#   6938:10  Preassigned    2.26, 2.57 A)
 &rst
  ixpk= 6938, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1759,1760,
 &end
#
#  118 GLY  HA2         118 GLY  HN          3.50    (#   6941:10  Preassigned    2.57, 2.78 A)
 &rst
  ixpk= 6941, nxpk= 10, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  138 GLY  QA          139 PHE  HN          3.50    (#   6949:10  Preassigned    2.35, 3.39 A)
 &rst
  ixpk= 6949, nxpk= 10, iat=  -1,2115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2110,2111,
 &end
#
#  104 GLY  HA2         106 ILE  HN          4.50    (#   6952:10  Preassigned    3.16, 4.30 A)
 &rst
  ixpk= 6952, nxpk= 10, iat=1582,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  153 LEU  HA          154 LYS  HN          3.50    (#   6953:10  Preassigned    3.53, 3.59 A)
 &rst
  ixpk= 6953, nxpk= 10, iat=2338,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  149 VAL  HA          152 LEU  HN          4.50    (#   6957:10  Preassigned    3.11, 3.66 A)
 &rst
  ixpk= 6957, nxpk= 10, iat=2269,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  154 LYS  HA          155 ASP  HN          3.50    (#   6959:10  Preassigned    3.52, 3.56 A)
 &rst
  ixpk= 6959, nxpk= 10, iat=2357,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  HA          131 LEU  HN          4.50    (#   6960:10  Preassigned    3.56, 3.87 A)
 &rst
  ixpk= 6960, nxpk= 10, iat=1932,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HA          172 PHE  HN          4.50    (#   6961:10  Preassigned    3.88, 4.19 A)
 &rst
  ixpk= 6961, nxpk= 10, iat=2551,2619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  153 LEU  HA          153 LEU  HN          3.50    (#   6963:10  Preassigned    2.40, 2.73 A)
 &rst
  ixpk= 6963, nxpk= 10, iat=2338,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HA          156 LEU  HN          3.50    (#   6964:10  Preassigned    2.09, 2.79 A)
 &rst
  ixpk= 6964, nxpk= 10, iat=2391,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  188 GLY  QA          185 GLU  HN          3.50    (#   6968:10  Double         0.00, 0.00)
 &rst
  ixpk= 6968, nxpk= 10, iat=  -1,2820, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2873,2874,
 &end
#
#  160 GLY  QA          162 ALA  HN          4.50    (#   6969:10  Preassigned    5.03, 6.37 A)
 &rst
  ixpk= 6969, nxpk= 10, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2446,2447,
 &end
#
#  128 LEU  HA          128 LEU  HN          4.50    (#   6972:10  Preassigned    2.74, 2.81 A)
 &rst
  ixpk= 6972, nxpk= 10, iat=1932,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HA          168 GLU  HN          3.50    (#   6973:10  Preassigned    2.91, 2.96 A)
 &rst
  ixpk= 6973, nxpk= 10, iat=2551,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HA          169 PHE  HN          4.50    (#   6985:10  Preassigned    3.49, 3.51 A)
 &rst
  ixpk= 6985, nxpk= 10, iat=2551,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  138 GLY  QA          141 GLN  HN          3.50    (#   6996:10  Preassigned    2.51, 4.39 A)
 &rst
  ixpk= 6996, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2110,2111,
 &end
#
#  104 GLY  HA3         106 ILE  HN          4.50    (#   7018:10  Preassigned    3.16, 4.50 A)
 &rst
  ixpk= 7018, nxpk= 10, iat=1583,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  175 ALA  HA          176 ILE  HN          3.50    (#   7022:10  Preassigned    3.50, 3.59 A)
 &rst
  ixpk= 7022, nxpk= 10, iat=2667,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  QB          117 GLU  HN          3.50    (#   7026:10  Double         0.00, 0.00)
 &rst
  ixpk= 7026, nxpk= 10, iat=  -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1768,1769,
 &end
#
#  104 GLY  HA3         105 MET  HN          3.50    (#   7031:10  Preassigned    2.87, 3.25 A)
 &rst
  ixpk= 7031, nxpk= 10, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 GLY  HA3         108 ASP  HN          6.00    (#   7049:10  Preassigned    3.84, 4.60 A)
 &rst
  ixpk= 7049, nxpk= 10, iat=1583,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  176 ILE  HA          179 ALA  HN          4.50    (#   7050:10  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 7050, nxpk= 10, iat=2677,2719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HA          176 ILE  HN          4.50    (#   7055:10  Preassigned    2.86, 2.88 A)
 &rst
  ixpk= 7055, nxpk= 10, iat=2677,2675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  HA          106 ILE  HN          4.50    (#   7064:10  Preassigned    2.72, 2.90 A)
 &rst
  ixpk= 7064, nxpk= 10, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HA          132 MET  HN          4.50    (#   7066:10  Preassigned    2.09, 2.59 A)
 &rst
  ixpk= 7066, nxpk= 10, iat=2008,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HA          110 PHE  HN          3.50    (#   7074:10  Preassigned    2.84, 3.34 A)
 &rst
  ixpk= 7074, nxpk= 10, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 LYS  HA          132 MET  HN          4.50    (#   7089:10  Preassigned    3.16, 4.07 A)
 &rst
  ixpk= 7089, nxpk= 10, iat=1951,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  HA          106 ILE  HN          4.50    (#   7093:10  Preassigned    2.72, 2.90 A)
 &rst
  ixpk= 7093, nxpk= 10, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HA          100 GLU  HN          4.50    (#   7099:10  Preassigned    2.89, 2.94 A)
 &rst
  ixpk= 7099, nxpk= 10, iat=1530,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HD2         136 LEU  HN          4.50    (#   7105:10  Preassigned    3.28, 3.90 A)
 &rst
  ixpk= 7105, nxpk= 10, iat=2095,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HB2         165 ASP  HN          4.50    (#   7108:10  Preassigned    2.27, 2.52 A)
 &rst
  ixpk= 7108, nxpk= 10, iat=2510,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  HA          166 PHE  HN          3.50    (#   7109:10  Preassigned    2.75, 2.83 A)
 &rst
  ixpk= 7109, nxpk= 10, iat=2520,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HB2         169 PHE  HN          3.50    (#   7114:10  Preassigned    2.22, 2.53 A)
 &rst
  ixpk= 7114, nxpk= 10, iat=2568,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HA          157 ASP  HN          3.50    (#   7123:10  Preassigned    2.31, 3.34 A)
 &rst
  ixpk= 7123, nxpk= 10, iat=2391,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  151 LYS  HA          151 LYS  HN          3.50    (#   7130:10  Preassigned    2.88, 2.95 A)
 &rst
  ixpk= 7130, nxpk= 10, iat=2297,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  160 GLY  QA          161 ASP  HN          3.50    (#   7131:10  Preassigned    2.36, 3.13 A)
 &rst
  ixpk= 7131, nxpk= 10, iat=  -1,2451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2446,2447,
 &end
#
#  119 SER  HB2         120 THR  HN          3.50    (#   7141:10  Preassigned    1.83, 3.16 A)
 &rst
  ixpk= 7141, nxpk= 10, iat=1801,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 SER  HB2         163 GLN  HE22        6.00    (#   7143:10  Preassigned    4.35, 4.92 A)
 &rst
  ixpk= 7143, nxpk= 10, iat=1801,2486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  156 LEU  HA          159 ASN  HN          3.50    (#   7145:10  Preassigned    4.05, 4.25 A)
 &rst
  ixpk= 7145, nxpk= 10, iat=2391,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 GLY  HA3         122 THR  HN          6.00    (#   7154:10  Unique         4.69, 6.27 A)
 &rst
  ixpk= 7154, nxpk= 10, iat=1793,1839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  119 SER  HB3         119 SER  HN          3.50    (#   7156:10  Preassigned    2.45, 3.07 A)
 &rst
  ixpk= 7156, nxpk= 10, iat=1802,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  HA          133 GLU  HN          3.50    (#   7159:10  Preassigned    2.14, 2.73 A)
 &rst
  ixpk= 7159, nxpk= 10, iat=2025,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  HA          134 LYS  HN          4.50    (#   7166:10  Preassigned    3.07, 3.36 A)
 &rst
  ixpk= 7166, nxpk= 10, iat=2025,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 GLY  QA          116 SER  HN          3.50    (#   7168:10  Preassigned    2.94, 3.26 A)
 &rst
  ixpk= 7168, nxpk= 10, iat=  -1,1764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1759,1760,
 &end
#
#  176 ILE  HA          180 SER  HN          4.50    (#   7175:10  Preassigned    3.20, 3.88 A)
 &rst
  ixpk= 7175, nxpk= 10, iat=2677,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HA          133 GLU  HN          3.50    (#   7176:10  Preassigned    3.23, 3.44 A)
 &rst
  ixpk= 7176, nxpk= 10, iat=2008,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  176 ILE  HA          177 THR  HN          3.50    (#   7185:10  Preassigned    3.49, 3.52 A)
 &rst
  ixpk= 7185, nxpk= 10, iat=2677,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 PHE  HA          111 SER  HN          4.50    (#   7196:10  Preassigned    2.23, 2.98 A)
 &rst
  ixpk= 7196, nxpk= 10, iat=1672,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HB2         114 SER  HN          4.50    (#   7197:10  Preassigned    2.35, 3.07 A)
 &rst
  ixpk= 7197, nxpk= 10, iat=1750,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  HA          167 SER  HN          4.50    (#   7202:10  Preassigned    3.49, 3.54 A)
 &rst
  ixpk= 7202, nxpk= 10, iat=2520,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  143 GLY  QA          143 GLY  HN          3.50    (#   7203:10  Preassigned    2.20, 2.60 A)
 &rst
  ixpk= 7203, nxpk= 10, iat=  -1,2182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2184,2185,
 &end
#
#  160 GLY  QA          160 GLY  HN          3.50    (#   7204:10  Preassigned    2.44, 2.81 A)
 &rst
  ixpk= 7204, nxpk= 10, iat=  -1,2444, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2446,2447,
 &end
#
#  118 GLY  HA3         118 GLY  HN          3.50    (#   7207:10  Preassigned    2.69, 2.85 A)
 &rst
  ixpk= 7207, nxpk= 10, iat=1793,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 LYS  HA          126 GLY  HN          3.50    (#   7212:10  Preassigned    3.51, 3.57 A)
 &rst
  ixpk= 7212, nxpk= 10, iat=1888,1908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  170 ILE  HA          170 ILE  HN          3.50    (#   7237:10  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 7237, nxpk= 10, iat=2586,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  170 ILE  HA          171 VAL  HN          3.50    (#   7241:10  Preassigned    3.47, 3.52 A)
 &rst
  ixpk= 7241, nxpk= 10, iat=2586,2603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 PHE  HB2         110 PHE  HN          4.50    (#   7242:10  Preassigned    2.55, 3.08 A)
 &rst
  ixpk= 7242, nxpk= 10, iat=1674,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  172 PHE  HB2         169 PHE  HN          4.50    (#   7256:10  Preassigned    4.73, 5.37 A)
 &rst
  ixpk= 7256, nxpk= 10, iat=2623,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  139 PHE  QB          139 PHE  HN          3.50    (#   7257:10  Preassigned    2.13, 2.93 A)
 &rst
  ixpk= 7257, nxpk= 10, iat=  -1,2115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2119,2120,
 &end
#
#  139 PHE  QB          140 LEU  HN          4.50    (#   7261:10  Preassigned    2.23, 3.51 A)
 &rst
  ixpk= 7261, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2119,2120,
 &end
#
#  169 PHE  HB3         170 ILE  HN          3.50    (#   7269:10  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 7269, nxpk= 10, iat=2569,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HB3         173 VAL  HN          3.50    (#   7270:10  Preassigned    2.25, 2.96 A)
 &rst
  ixpk= 7270, nxpk= 10, iat=2624,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HB3         169 PHE  HN          3.50    (#   7275:10  Preassigned    2.17, 2.35 A)
 &rst
  ixpk= 7275, nxpk= 10, iat=2569,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HB2         172 PHE  HN          3.50    (#   7276:10  Preassigned    2.15, 2.61 A)
 &rst
  ixpk= 7276, nxpk= 10, iat=2623,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HB2         108 ASP  HN          3.50    (#   7295:10  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 7295, nxpk= 10, iat=1646,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  145 ASP  HB2         146 LYS  HN          4.50    (#   7297:10  Preassigned    3.24, 3.92 A)
 &rst
  ixpk= 7297, nxpk= 10, iat=2215,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HB2         155 ASP  HN          3.50    (#   7300:10  Preassigned    2.20, 2.41 A)
 &rst
  ixpk= 7300, nxpk= 10, iat=2381,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  155 ASP  HB3         155 ASP  HN          3.50    (#   7307:10  Preassigned    2.27, 3.31 A)
 &rst
  ixpk= 7307, nxpk= 10, iat=2382,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HB3         106 ILE  HN          4.50    (#   7309:10  Preassigned    3.91, 4.83 A)
 &rst
  ixpk= 7309, nxpk= 10, iat=1647,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  145 ASP  HB2         145 ASP  HN          3.50    (#   7311:10  Preassigned    2.11, 2.98 A)
 &rst
  ixpk= 7311, nxpk= 10, iat=2215,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  155 ASP  HB2         156 LEU  HN          4.50    (#   7312:10  Preassigned    2.11, 3.13 A)
 &rst
  ixpk= 7312, nxpk= 10, iat=2381,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  QB          106 ILE  HN          3.50    (#   7316:10  Preassigned    3.25, 3.90 A)
 &rst
  ixpk= 7316, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1591,1592,
 &end
#
#  110 PHE  HB3         110 PHE  HN          3.50    (#   7318:10  Preassigned    2.23, 2.45 A)
 &rst
  ixpk= 7318, nxpk= 10, iat=1675,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 MET  QB          105 MET  HN          3.50    (#   7321:10  Preassigned    1.99, 2.62 A)
 &rst
  ixpk= 7321, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1591,1592,
 &end
#
#  150 ASP  HB2         146 LYS  HN          4.50    (#   7336:10  Preassigned    4.28, 4.83 A)
 &rst
  ixpk= 7336, nxpk= 10, iat=2287,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HG2         101 ALA  HN          4.50    (#   7342:10  Preassigned    2.37, 4.18 A)
 &rst
  ixpk= 7342, nxpk= 10, iat=1535,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HB2         150 ASP  HN          3.50    (#   7348:10  Preassigned    2.24, 3.01 A)
 &rst
  ixpk= 7348, nxpk= 10, iat=2287,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  161 ASP  HB3         162 ALA  HN          4.50    (#   7355:10  Preassigned    1.88, 2.20 A)
 &rst
  ixpk= 7355, nxpk= 10, iat=2456,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  QB          166 PHE  HN          3.50    (#   7359:10  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 7359, nxpk= 10, iat=  -1,2518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2522,2523,
 &end
#
#  145 ASP  HB3         145 ASP  HN          3.50    (#   7361:10  Preassigned    2.48, 2.69 A)
 &rst
  ixpk= 7361, nxpk= 10, iat=2216,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 GLU  HG2         100 GLU  HN          4.50    (#   7362:10  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 7362, nxpk= 10, iat=1535,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HG2         101 ALA  HN          4.50    (#   7373:10  Preassigned    2.37, 4.18 A)
 &rst
  ixpk= 7373, nxpk= 10, iat=1535,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HG2         100 GLU  HN          4.50    (#   7377:10  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 7377, nxpk= 10, iat=1535,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  145 ASP  HB3         146 LYS  HN          4.50    (#   7378:10  Preassigned    3.62, 3.95 A)
 &rst
  ixpk= 7378, nxpk= 10, iat=2216,2223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HG2         105 MET  HN          3.50    (#   7381:10  Preassigned    3.79, 4.09 A)
 &rst
  ixpk= 7381, nxpk= 10, iat=1594,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HG2         168 GLU  HN          3.50    (#   7384:10  Preassigned    2.95, 3.30 A)
 &rst
  ixpk= 7384, nxpk= 10, iat=2556,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HG3         106 ILE  HN          4.50    (#   7386:10  Preassigned    4.02, 4.95 A)
 &rst
  ixpk= 7386, nxpk= 10, iat=1571,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HD3         111 SER  HN          4.50    (#   7387:10  Preassigned    5.13, 6.88 A)
 &rst
  ixpk= 7387, nxpk= 10, iat=1712,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HB2         159 ASN  HN          3.50    (#   7396:10  Preassigned    2.03, 3.18 A)
 &rst
  ixpk= 7396, nxpk= 10, iat=2434,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 SER  HB3         114 SER  HN          4.50    (#   7403:10  Preassigned    2.09, 2.60 A)
 &rst
  ixpk= 7403, nxpk= 10, iat=1751,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB3         111 SER  HN          4.50    (#   7404:10  Preassigned    2.41, 3.36 A)
 &rst
  ixpk= 7404, nxpk= 10, iat=1675,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  113 TYR  HB2         113 TYR  HN          3.50    (#   7406:10  Preassigned    2.05, 2.98 A)
 &rst
  ixpk= 7406, nxpk= 10, iat=1729,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB2         151 LYS  HN          4.50    (#   7407:10  Preassigned    2.11, 2.71 A)
 &rst
  ixpk= 7407, nxpk= 10, iat=2287,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  161 ASP  HB3         161 ASP  HN          3.50    (#   7411:10  Preassigned    2.75, 2.95 A)
 &rst
  ixpk= 7411, nxpk= 10, iat=2456,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  QB          157 ASP  HN          3.50    (#   7417:10  Preassigned    1.98, 2.74 A)
 &rst
  ixpk= 7417, nxpk= 10, iat=  -1,2408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2412,2413,
 &end
#
#  103 MET  HG2         103 MET  HN          4.50    (#   7419:10  Preassigned    4.31, 4.42 A)
 &rst
  ixpk= 7419, nxpk= 10, iat=1570,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  QB          167 SER  HN          4.50    (#   7425:10  Preassigned    3.29, 3.99 A)
 &rst
  ixpk= 7425, nxpk= 10, iat=  -1,2538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2522,2523,
 &end
#
#  159 ASN  HB3         159 ASN  HN          3.50    (#   7431:10  Preassigned    1.96, 2.32 A)
 &rst
  ixpk= 7431, nxpk= 10, iat=2435,2430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  QG          134 LYS  HN          4.50    (#   7437:10  Preassigned    4.75, 5.25 A)
 &rst
  ixpk= 7437, nxpk= 10, iat=  -1,2038, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2030,2031,
 &end
#
#  112 ARG  HB3         114 SER  HN          6.00    (#   7439:10  Preassigned    5.49, 6.17 A)
 &rst
  ixpk= 7439, nxpk= 10, iat=1706,1746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HB3         113 TYR  HN          3.50    (#   7440:10  Preassigned    2.15, 2.70 A)
 &rst
  ixpk= 7440, nxpk= 10, iat=1730,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  QG          133 GLU  HN          3.50    (#   7442:10  Preassigned    2.10, 3.27 A)
 &rst
  ixpk= 7442, nxpk= 10, iat=  -1,2023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2030,2031,
 &end
#
#  135 GLU  QG          134 LYS  HN          4.50    (#   7444:10  Preassigned    4.16, 5.51 A)
 &rst
  ixpk= 7444, nxpk= 10, iat=  -1,2038, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2067,2068,
 &end
#
#  103 MET  HG2         104 GLY  HN          6.00    (#   7449:10  Preassigned    1.65, 3.62 A)
 &rst
  ixpk= 7449, nxpk= 10, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 MET  HG3         104 GLY  HN          6.00    (#   7450:10  Preassigned    2.51, 3.60 A)
 &rst
  ixpk= 7450, nxpk= 10, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  159 ASN  HB3         160 GLY  HN          6.00    (#   7451:10  Preassigned    3.70, 4.29 A)
 &rst
  ixpk= 7451, nxpk= 10, iat=2435,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 MET  HG2         104 GLY  HN          6.00    (#   7452:10  Preassigned    5.24, 6.36 A)
 &rst
  ixpk= 7452, nxpk= 10, iat=1594,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 GLU  HG3          98 GLU  HN          4.50    (#   7469:10  Preassigned    3.24, 3.50 A)
 &rst
  ixpk= 7469, nxpk= 10, iat=1502,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HB          109 VAL  HN          3.50    (#   7473:10  Preassigned    2.14, 2.33 A)
 &rst
  ixpk= 7473, nxpk= 10, iat=1658,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HG2         163 GLN  HN          3.50    (#   7475:10  Preassigned    3.60, 3.92 A)
 &rst
  ixpk= 7475, nxpk= 10, iat=2480,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 GLU  QG          127 GLU  HN          3.50    (#   7476:10  Preassigned    2.33, 4.00 A)
 &rst
  ixpk= 7476, nxpk= 10, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1922,1923,
 &end
#
#  163 GLN  HG3         162 ALA  HN          4.50    (#   7477:10  Preassigned    4.47, 4.90 A)
 &rst
  ixpk= 7477, nxpk= 10, iat=2481,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HG3         131 LEU  HN          4.50    (#   7482:10  Preassigned    3.85, 4.87 A)
 &rst
  ixpk= 7482, nxpk= 10, iat=2014,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HB          110 PHE  HN          3.50    (#   7485:10  Preassigned    2.86, 3.61 A)
 &rst
  ixpk= 7485, nxpk= 10, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  132 MET  HG3         132 MET  HN          3.50    (#   7491:10  Preassigned    2.87, 3.59 A)
 &rst
  ixpk= 7491, nxpk= 10, iat=2014,2006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  185 GLU  HG3         185 GLU  HN          4.50    (#   7495:10  Preassigned    3.58, 4.40 A)
 &rst
  ixpk= 7495, nxpk= 10, iat=2828,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 VAL  HB          150 ASP  HN          3.50    (#   7501:10  Preassigned    1.90, 3.07 A)
 &rst
  ixpk= 7501, nxpk= 10, iat=2271,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  185 GLU  HG2         186 LYS  HN          3.50    (#   7509:10  Preassigned    3.45, 3.67 A)
 &rst
  ixpk= 7509, nxpk= 10, iat=2827,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  149 VAL  HB          149 VAL  HN          4.50    (#   7516:10  Preassigned    2.35, 2.47 A)
 &rst
  ixpk= 7516, nxpk= 10, iat=2271,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HG3         168 GLU  HN          3.50    (#   7520:10  Preassigned    1.95, 2.22 A)
 &rst
  ixpk= 7520, nxpk= 10, iat=2557,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  164 VAL  HB          164 VAL  HN          3.50    (#   7521:10  Preassigned    2.17, 2.49 A)
 &rst
  ixpk= 7521, nxpk= 10, iat=2494,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  QG          117 GLU  HN          3.50    (#   7522:10  Preassigned    2.13, 3.40 A)
 &rst
  ixpk= 7522, nxpk= 10, iat=  -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1782,1783,
 &end
#
#  164 VAL  HB          123 LEU  HN          4.50    (#   7526:10  Preassigned    2.10, 2.68 A)
 &rst
  ixpk= 7526, nxpk= 10, iat=2494,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HG3         106 ILE  HN          3.50    (#   7527:10  Preassigned    2.55, 3.30 A)
 &rst
  ixpk= 7527, nxpk= 10, iat=1595,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 MET  HG3         102 ALA  HN          4.50    (#   7531:10  Preassigned    5.36, 5.93 A)
 &rst
  ixpk= 7531, nxpk= 10, iat=1595,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  HB          106 ILE  HN          3.50    (#   7535:10  Preassigned    2.75, 3.24 A)
 &rst
  ixpk= 7535, nxpk= 10, iat=1608,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 GLU  QB          100 GLU  HN          4.50    (#   7536:10  Preassigned    3.83, 4.82 A)
 &rst
  ixpk= 7536, nxpk= 10, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1498,1499,
 &end
#
#  100 GLU  HB2         101 ALA  HN          3.50    (#   7537:10  Preassigned    1.88, 2.90 A)
 &rst
  ixpk= 7537, nxpk= 10, iat=1532,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  HB2         128 LEU  HN          3.50    (#   7538:10  Preassigned    2.10, 2.60 A)
 &rst
  ixpk= 7538, nxpk= 10, iat=1934,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HB2         169 PHE  HN          3.50    (#   7539:10  Preassigned    2.37, 2.51 A)
 &rst
  ixpk= 7539, nxpk= 10, iat=2553,2564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 GLU  HG2          98 GLU  HN          4.50    (#   7542:10  Preassigned    2.23, 2.54 A)
 &rst
  ixpk= 7542, nxpk= 10, iat=1501,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 GLU  QB           99 LEU  HN          3.50    (#   7553:10  Preassigned    3.03, 3.70 A)
 &rst
  ixpk= 7553, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#  105 MET  HG3         105 MET  HN          3.50    (#   7559:10  Preassigned    3.57, 3.98 A)
 &rst
  ixpk= 7559, nxpk= 10, iat=1595,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HB2         117 GLU  HN          3.50    (#   7570:10  Preassigned    2.79, 3.56 A)
 &rst
  ixpk= 7570, nxpk= 10, iat=1779,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HB3         158 ALA  HN          3.50    (#   7580:10  Preassigned    4.58, 5.00 A)
 &rst
  ixpk= 7580, nxpk= 10, iat=2554,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 LYS  HB2         129 LYS  HN          3.50    (#   7583:10  Preassigned    2.44, 2.99 A)
 &rst
  ixpk= 7583, nxpk= 10, iat=1953,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 GLU  QB          127 GLU  HN          4.50    (#   7584:10  Preassigned    2.12, 2.72 A)
 &rst
  ixpk= 7584, nxpk= 10, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1919,1920,
 &end
#
#  168 GLU  HB3         168 GLU  HN          3.50    (#   7585:10  Preassigned    3.53, 3.61 A)
 &rst
  ixpk= 7585, nxpk= 10, iat=2554,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  171 VAL  HB          171 VAL  HN          3.50    (#   7587:10  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 7587, nxpk= 10, iat=2607,2603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HB3         169 PHE  HN          4.50    (#   7590:10  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 7590, nxpk= 10, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  185 GLU  HB2         185 GLU  HN          3.50    (#   7598:10  Preassigned    2.09, 2.86 A)
 &rst
  ixpk= 7598, nxpk= 10, iat=2824,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  171 VAL  HB          172 PHE  HN          3.50    (#   7608:10  Preassigned    2.69, 2.84 A)
 &rst
  ixpk= 7608, nxpk= 10, iat=2607,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  QB          163 GLN  HN          3.50    (#   7611:10  Preassigned    2.26, 2.95 A)
 &rst
  ixpk= 7611, nxpk= 10, iat=  -1,2473, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2477,2478,
 &end
#
#  125 LYS  HB2         125 LYS  HN          4.50    (#   7615:10  Preassigned    2.35, 2.49 A)
 &rst
  ixpk= 7615, nxpk= 10, iat=1890,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  144 LYS  QB          146 LYS  HN          3.50    (#   7623:10  Preassigned    3.15, 4.44 A)
 &rst
  ixpk= 7623, nxpk= 10, iat=  -1,2223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2193,2194,
 &end
#
#  168 GLU  HB3         158 ALA  HN          3.50    (#   7624:10  Preassigned    4.95, 5.46 A)
 &rst
  ixpk= 7624, nxpk= 10, iat=2554,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  QB          154 LYS  HN          3.50    (#   7628:10  Preassigned    2.27, 3.05 A)
 &rst
  ixpk= 7628, nxpk= 10, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  153 LEU  HB2         153 LEU  HN          3.50    (#   7630:10  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 7630, nxpk= 10, iat=2340,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HB3         117 GLU  HN          3.50    (#   7634:10  Preassigned    2.09, 2.79 A)
 &rst
  ixpk= 7634, nxpk= 10, iat=1780,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HB3         112 ARG  HN          3.50    (#   7638:10  Preassigned    3.19, 3.50 A)
 &rst
  ixpk= 7638, nxpk= 10, iat=1706,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  QB          155 ASP  HN          3.50    (#   7643:10  Preassigned    2.44, 3.01 A)
 &rst
  ixpk= 7643, nxpk= 10, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  132 MET  QB          136 LEU  HN          3.50    (#   7663:10  Preassigned    4.31, 5.31 A)
 &rst
  ixpk= 7663, nxpk= 10, iat=  -1,2075, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2010,2011,
 &end
#
#  151 LYS  QB          152 LEU  HN          3.50    (#   7667:10  Preassigned    2.79, 3.59 A)
 &rst
  ixpk= 7667, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2299,2300,
 &end
#
#  100 GLU  HB3         100 GLU  HN          3.50    (#   7677:10  Preassigned    4.29, 5.58 A)
 &rst
  ixpk= 7677, nxpk= 10, iat=1533,1528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  151 LYS  QB          149 VAL  HN          4.50    (#   7678:10  Preassigned    3.68, 5.40 A)
 &rst
  ixpk= 7678, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2299,2300,
 &end
#
#  107 ILE  HB          108 ASP  HN          3.50    (#   7682:10  Preassigned    2.92, 3.22 A)
 &rst
  ixpk= 7682, nxpk= 10, iat=1627,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  131 LEU  HB2         132 MET  HN          3.50    (#   7687:10  Preassigned    2.21, 3.36 A)
 &rst
  ixpk= 7687, nxpk= 10, iat=1991,2006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HG          152 LEU  HN          3.50    (#   7694:10  Preassigned    2.40, 3.49 A)
 &rst
  ixpk= 7694, nxpk= 10, iat=2324,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 LYS  HB3         129 LYS  HN          3.50    (#   7696:10  Preassigned    2.14, 2.23 A)
 &rst
  ixpk= 7696, nxpk= 10, iat=1954,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 ALA  QB          102 ALA  HN          3.50    (#   7707:10  Preassigned    2.47, 3.14 A)
 &rst
  ixpk= 7707, nxpk= 10, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1557,1558,1559,
 &end
#
#  186 LYS  HB3         184 PHE  HN          3.50    (#   7709:10  Preassigned    2.70, 3.89 A)
 &rst
  ixpk= 7709, nxpk= 10, iat=2840,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HG          153 LEU  HN          4.50    (#   7725:10  Preassigned    4.14, 4.47 A)
 &rst
  ixpk= 7725, nxpk= 10, iat=2324,2336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HB2         140 LEU  HN          3.50    (#   7726:10  Preassigned    2.33, 2.47 A)
 &rst
  ixpk= 7726, nxpk= 10, iat=2139,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  141 GLN  QG          141 GLN  HN          3.50    (#   7729:10  Preassigned    2.05, 3.22 A)
 &rst
  ixpk= 7729, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2161,2162,
 &end
#
#  133 GLU  QG          133 GLU  HN          3.50    (#   7734:10  Preassigned    2.10, 3.27 A)
 &rst
  ixpk= 7734, nxpk= 10, iat=  -1,2023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2030,2031,
 &end
#
#  113 TYR  HB3         114 SER  HN          4.50    (#   7741:10  Preassigned    2.60, 3.07 A)
 &rst
  ixpk= 7741, nxpk= 10, iat=1730,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  QG          124 THR  HN          4.50    (#   7748:10  Preassigned    2.13, 4.11 A)
 &rst
  ixpk= 7748, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1922,1923,
 &end
#
#  121 GLN  QG          122 THR  HN          4.50    (#   7756:10  Preassigned    3.12, 4.73 A)
 &rst
  ixpk= 7756, nxpk= 10, iat=  -1,1839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1829,1830,
 &end
#
#   96 MET  QB           97 THR  HN          4.50    (#   7763:10  Preassigned    3.74, 4.51 A)
 &rst
  ixpk= 7763, nxpk= 10, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1467,1468,
 &end
#
#  163 GLN  HG3         124 THR  HN          4.50    (#   7766:10  Preassigned    4.54, 5.25 A)
 &rst
  ixpk= 7766, nxpk= 10, iat=2481,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HB2         122 THR  HN          4.50    (#   7770:10  Preassigned    3.78, 4.15 A)
 &rst
  ixpk= 7770, nxpk= 10, iat=1826,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HB2         138 GLY  HN          4.50    (#   7774:10  Preassigned    3.46, 4.05 A)
 &rst
  ixpk= 7774, nxpk= 10, iat=2101,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 MET  HB2         103 MET  HN          3.50    (#   7776:10  Preassigned    2.27, 2.37 A)
 &rst
  ixpk= 7776, nxpk= 10, iat=1567,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  141 GLN  QB          142 SER  HN          3.50    (#   7777:10  Preassigned    3.10, 3.65 A)
 &rst
  ixpk= 7777, nxpk= 10, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2158,2159,
 &end
#
#  141 GLN  QB          141 GLN  HN          3.50    (#   7780:10  Preassigned    2.91, 3.54 A)
 &rst
  ixpk= 7780, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2158,2159,
 &end
#
#  133 GLU  HB2         135 GLU  HN          4.50    (#   7782:10  Preassigned    4.36, 5.64 A)
 &rst
  ixpk= 7782, nxpk= 10, iat=2027,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  QG          138 GLY  HN          4.50    (#   7787:10  Preassigned    4.20, 5.00 A)
 &rst
  ixpk= 7787, nxpk= 10, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2098,2099,
 &end
#
#  121 GLN  HB3         122 THR  HN          4.50    (#   7788:10  Preassigned    3.45, 4.20 A)
 &rst
  ixpk= 7788, nxpk= 10, iat=1827,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HB2         133 GLU  HN          3.50    (#   7791:10  Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 7791, nxpk= 10, iat=2027,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HB3         103 MET  HN          3.50    (#   7796:10  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 7796, nxpk= 10, iat=1568,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  QB          135 GLU  HN          3.50    (#   7799:10  Preassigned    2.01, 3.70 A)
 &rst
  ixpk= 7799, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2042,2043,
 &end
#
#  134 LYS  QB          134 LYS  HN          3.50    (#   7804:10  Preassigned    2.52, 3.50 A)
 &rst
  ixpk= 7804, nxpk= 10, iat=  -1,2038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2042,2043,
 &end
#
#  127 GLU  QB          124 THR  HN          6.00    (#   7808:10  Preassigned    2.39, 3.66 A)
 &rst
  ixpk= 7808, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1919,1920,
 &end
#
#  133 GLU  HB3         134 LYS  HN          3.50    (#   7814:10  Preassigned    3.83, 4.24 A)
 &rst
  ixpk= 7814, nxpk= 10, iat=2028,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  176 ILE  HB          177 THR  HN          3.50    (#   7823:10  Preassigned    2.45, 2.85 A)
 &rst
  ixpk= 7823, nxpk= 10, iat=2679,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB2         157 ASP  HN          3.50    (#   7835:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 7835, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  151 LYS  QB          151 LYS  HN          3.50    (#   7837:10  Preassigned    2.15, 3.04 A)
 &rst
  ixpk= 7837, nxpk= 10, iat=  -1,2295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2299,2300,
 &end
#
#  137 PRO  HB3         138 GLY  HN          4.50    (#   7841:10  Preassigned    2.62, 3.39 A)
 &rst
  ixpk= 7841, nxpk= 10, iat=2102,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HB2         157 ASP  HN          3.50    (#   7844:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 7844, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  140 LEU  HB2         141 GLN  HN          3.50    (#   7847:10  Preassigned    1.89, 2.42 A)
 &rst
  ixpk= 7847, nxpk= 10, iat=2139,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 ALA  QB          103 MET  HN          3.50    (#   7851:10  Preassigned    2.23, 3.37 A)
 &rst
  ixpk= 7851, nxpk= 10, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1557,1558,1559,
 &end
#
#  133 GLU  HB2         134 LYS  HN          3.50    (#   7853:10  Preassigned    2.89, 4.89 A)
 &rst
  ixpk= 7853, nxpk= 10, iat=2027,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HB2         104 GLY  HN          6.00    (#   7858:10  Preassigned    2.73, 3.66 A)
 &rst
  ixpk= 7858, nxpk= 10, iat=1567,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HB2         104 GLY  HN          4.50    (#   7859:10  Preassigned    4.36, 5.18 A)
 &rst
  ixpk= 7859, nxpk= 10, iat=1532,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  QG          118 GLY  HN          4.50    (#   7861:10  Preassigned    3.63, 4.48 A)
 &rst
  ixpk= 7861, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1782,1783,
 &end
#
#  117 GLU  HB2         118 GLY  HN          4.50    (#   7867:10  Preassigned    2.81, 4.08 A)
 &rst
  ixpk= 7867, nxpk= 10, iat=1779,1790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HB3         118 GLY  HN          6.00    (#   7868:10  Preassigned    3.87, 5.00 A)
 &rst
  ixpk= 7868, nxpk= 10, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 ALA  QB          104 GLY  HN          6.00    (#   7870:10  Preassigned    5.02, 6.26 A)
 &rst
  ixpk= 7870, nxpk= 10, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1557,1558,1559,
 &end
#
#  190 LYS  HB2         190 LYS  HN          4.50    (#   7873:10  Preassigned    2.84, 3.37 A)
 &rst
  ixpk= 7873, nxpk= 10, iat=2901,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  190 LYS  HG3         190 LYS  HN          4.50    (#   7877:10  Preassigned    2.12, 3.87 A)
 &rst
  ixpk= 7877, nxpk= 10, iat=2905,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 LYS  QD          129 LYS  HN          3.50    (#   7891:10  Preassigned    2.95, 4.09 A)
 &rst
  ixpk= 7891, nxpk= 10, iat=  -1,1949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1959,1960,
 &end
#
#  173 VAL  HB          173 VAL  HN          3.50    (#   7895:10  Preassigned    1.97, 2.12 A)
 &rst
  ixpk= 7895, nxpk= 10, iat=2643,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HB2         153 LEU  HN          3.50    (#   7903:10  Preassigned    1.93, 3.08 A)
 &rst
  ixpk= 7903, nxpk= 10, iat=2321,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  QB          154 LYS  HN          3.50    (#   7917:10  Unique         2.27, 3.05 A)
 &rst
  ixpk= 7917, nxpk= 10, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  189 LEU  QB          189 LEU  HN          3.50    (#   7921:10  Preassigned    2.23, 3.13 A)
 &rst
  ixpk= 7921, nxpk= 10, iat=  -1,2878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2882,2883,
 &end
#
#  154 LYS  HG2         155 ASP  HN          4.50    (#   7925:10  Preassigned    4.62, 4.78 A)
 &rst
  ixpk= 7925, nxpk= 10, iat=2362,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 ALA  QB          101 ALA  HN          3.50    (#   7940:10  Preassigned    2.40, 2.95 A)
 &rst
  ixpk= 7940, nxpk= 10, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1547,1548,1549,
 &end
#
#  151 LYS  QD          152 LEU  HN          4.50    (#   7946:10  Preassigned    4.29, 4.69 A)
 &rst
  ixpk= 7946, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2305,2306,
 &end
#
#  186 LYS  QG          185 GLU  HN          6.00    (#   7950:10  Preassigned    4.39, 6.40 A)
 &rst
  ixpk= 7950, nxpk= 10, iat=  -1,2820, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2842,2843,
 &end
#
#  101 ALA  QB          102 ALA  HN          3.50    (#   7951:10  Preassigned    3.46, 4.18 A)
 &rst
  ixpk= 7951, nxpk= 10, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1547,1548,1549,
 &end
#
#  125 LYS  QG          125 LYS  HN          4.50    (#   7956:10  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 7956, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1893,1894,
 &end
#
#  140 LEU  HB3         140 LEU  HN          3.50    (#   7965:10  Preassigned    3.49, 3.55 A)
 &rst
  ixpk= 7965, nxpk= 10, iat=2140,2135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 LEU  HB2         125 LYS  HN          4.50    (#   7971:10  Preassigned    5.74, 6.03 A)
 &rst
  ixpk= 7971, nxpk= 10, iat=1857,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HG3         132 MET  HN          4.50    (#   7980:10  Preassigned    2.66, 3.76 A)
 &rst
  ixpk= 7980, nxpk= 10, iat=2046,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  153 LEU  HB3         154 LYS  HN          3.50    (#   7981:10  Preassigned    2.20, 2.54 A)
 &rst
  ixpk= 7981, nxpk= 10, iat=2341,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  162 ALA  QB          162 ALA  HN          3.50    (#   7987:10  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 7987, nxpk= 10, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2467,2468,2469,
 &end
#
#  125 LYS  QG          125 LYS  HN          4.50    (#   7991:10  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 7991, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1893,1894,
 &end
#
#  162 ALA  QB          163 GLN  HN          3.50    (#   7999:10  Preassigned    2.53, 3.71 A)
 &rst
  ixpk= 7999, nxpk= 10, iat=  -1,2473, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2467,2468,2469,
 &end
#
#  144 LYS  QG          146 LYS  HN          3.50    (#   8008:10  Preassigned    2.34, 3.86 A)
 &rst
  ixpk= 8008, nxpk= 10, iat=  -1,2223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2196,2197,
 &end
#
#  112 ARG  HG3         112 ARG  HN          3.50    (#   8010:10  Preassigned    2.12, 2.62 A)
 &rst
  ixpk= 8010, nxpk= 10, iat=1709,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  140 LEU  HG          139 PHE  HN          3.50    (#   8011:10  Preassigned    2.78, 4.23 A)
 &rst
  ixpk= 8011, nxpk= 10, iat=2142,2115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HG3         155 ASP  HN          4.50    (#   8014:10  Preassigned    4.52, 4.67 A)
 &rst
  ixpk= 8014, nxpk= 10, iat=2363,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 LEU  HB3         123 LEU  HN          4.50    (#   8017:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 8017, nxpk= 10, iat=1858,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HB3         156 LEU  HN          3.50    (#   8021:10  Preassigned    3.18, 3.42 A)
 &rst
  ixpk= 8021, nxpk= 10, iat=2394,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  175 ALA  QB          175 ALA  HN          3.50    (#   8027:10  Preassigned    2.52, 2.97 A)
 &rst
  ixpk= 8027, nxpk= 10, iat=  -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2669,2670,2671,
 &end
#
#  186 LYS  QG          184 PHE  HN          3.50    (#   8029:10  Preassigned    3.06, 4.76 A)
 &rst
  ixpk= 8029, nxpk= 10, iat=  -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2842,2843,
 &end
#
#  186 LYS  QG          186 LYS  HN          3.50    (#   8032:10  Preassigned    2.50, 4.11 A)
 &rst
  ixpk= 8032, nxpk= 10, iat=  -1,2835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2842,2843,
 &end
#
#  140 LEU  HG          136 LEU  HN          6.00    (#   8035:10  Preassigned    5.83, 6.26 A)
 &rst
  ixpk= 8035, nxpk= 10, iat=2142,2075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  153 LEU  HB3         153 LEU  HN          3.50    (#   8039:10  Preassigned    2.19, 2.83 A)
 &rst
  ixpk= 8039, nxpk= 10, iat=2341,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  170 ILE  HB          170 ILE  HN          3.50    (#   8054:10  Preassigned    2.15, 2.33 A)
 &rst
  ixpk= 8054, nxpk= 10, iat=2588,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  HB3         128 LEU  HN          3.50    (#   8061:10  Preassigned    2.05, 2.32 A)
 &rst
  ixpk= 8061, nxpk= 10, iat=1935,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 THR  QG           98 GLU  HN          4.50    (#   8068:10  Preassigned    2.82, 4.41 A)
 &rst
  ixpk= 8068, nxpk= 10, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1486,1487,1488,
 &end
#
#  175 ALA  QB          176 ILE  HN          3.50    (#   8072:10  Preassigned    2.47, 3.50 A)
 &rst
  ixpk= 8072, nxpk= 10, iat=  -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2669,2670,2671,
 &end
#
#  158 ALA  QB          158 ALA  HN          3.50    (#   8117:10  Preassigned    2.33, 3.05 A)
 &rst
  ixpk= 8117, nxpk= 10, iat=  -1,2420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  124 THR  QG          125 LYS  HN          4.50    (#   8127:10  Preassigned    3.22, 4.21 A)
 &rst
  ixpk= 8127, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1878,1879,1880,
 &end
#
#  120 THR  QG          121 GLN  HN          4.50    (#   8128:10  Preassigned    2.02, 3.92 A)
 &rst
  ixpk= 8128, nxpk= 10, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1814,1815,1816,
 &end
#
#  109 VAL  QQG         112 ARG  HN          4.50    (#   8129:10  Preassigned    4.02, 5.77 A)
 &rst
  ixpk= 8129, nxpk= 10, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  109 VAL  QQG         108 ASP  HN          4.50    (#   8138:10  Preassigned    4.25, 6.52 A)
 &rst
  ixpk= 8138, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  109 VAL  QQG         110 PHE  HN          3.50    (#   8144:10  Preassigned    2.51, 4.67 A)
 &rst
  ixpk= 8144, nxpk= 10, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  106 ILE  QG1         106 ILE  HN          3.50    (#   8165:10  Preassigned    2.04, 2.95 A)
 &rst
  ixpk= 8165, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1614,1615,
 &end
#
#  131 LEU  HB3         132 MET  HN          4.50    (#   8166:10  Preassigned    2.22, 2.67 A)
 &rst
  ixpk= 8166, nxpk= 10, iat=1992,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LEU  QD1         125 LYS  HN          4.50    (#   8171:10  Double         0.00, 0.00)
 &rst
  ixpk= 8171, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1939,1940,1941,
 &end
#
#  122 THR  QG          121 GLN  HN          4.50    (#   8172:10  Preassigned    2.80, 5.76 A)
 &rst
  ixpk= 8172, nxpk= 10, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  164 VAL  QG1         123 LEU  HN          4.50    (#   8196:10  Preassigned    3.45, 4.41 A)
 &rst
  ixpk= 8196, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  187 THR  QG          184 PHE  HN          3.50    (#   8202:10  Preassigned    3.65, 5.04 A)
 &rst
  ixpk= 8202, nxpk= 10, iat=  -1,2800, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2863,2864,2865,
 &end
#
#  164 VAL  QG1         164 VAL  HN          4.50    (#   8203:10  Preassigned    4.20, 4.46 A)
 &rst
  ixpk= 8203, nxpk= 10, iat=  -1,2490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  122 THR  QG          123 LEU  HN          3.50    (#   8206:10  Preassigned    4.03, 4.65 A)
 &rst
  ixpk= 8206, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#  164 VAL  QG1         166 PHE  HN          4.50    (#   8211:10  Preassigned    4.57, 6.12 A)
 &rst
  ixpk= 8211, nxpk= 10, iat=  -1,2518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  122 THR  QG          163 GLN  HN          4.50    (#   8219:10  Double         0.00, 0.00)
 &rst
  ixpk= 8219, nxpk= 10, iat=  -1,2473, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  164 VAL  QG1         168 GLU  HN          4.50    (#   8237:10  Preassigned    3.90, 4.64 A)
 &rst
  ixpk= 8237, nxpk= 10, iat=  -1,2549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  140 LEU  HB3         141 GLN  HN          3.50    (#   8248:10  Preassigned    1.96, 3.01 A)
 &rst
  ixpk= 8248, nxpk= 10, iat=2140,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HG2         133 GLU  HN          4.50    (#   8251:10  Double         0.00, 0.00)
 &rst
  ixpk= 8251, nxpk= 10, iat=2045,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  151 LYS  QD          151 LYS  HN          3.50    (#   8254:10  Preassigned    3.53, 4.53 A)
 &rst
  ixpk= 8254, nxpk= 10, iat=  -1,2295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2305,2306,
 &end
#
#  135 GLU  QB          135 GLU  HN          4.50    (#   8257:10  Preassigned    2.60, 3.37 A)
 &rst
  ixpk= 8257, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2064,2065,
 &end
#
#  123 LEU  HB3         124 THR  HN          4.50    (#   8272:10  Preassigned    3.46, 3.53 A)
 &rst
  ixpk= 8272, nxpk= 10, iat=1858,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  151 LYS  HG2         151 LYS  HN          3.50    (#   8275:10  Preassigned    2.40, 2.95 A)
 &rst
  ixpk= 8275, nxpk= 10, iat=2302,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HG3         133 GLU  HN          4.50    (#   8278:10  Preassigned    2.68, 4.20 A)
 &rst
  ixpk= 8278, nxpk= 10, iat=2046,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HB3         157 ASP  HN          4.50    (#   8282:10  Preassigned    3.95, 4.21 A)
 &rst
  ixpk= 8282, nxpk= 10, iat=2394,2408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  158 ALA  QB          159 ASN  HN          3.50    (#   8293:10  Preassigned    2.51, 3.71 A)
 &rst
  ixpk= 8293, nxpk= 10, iat=  -1,2430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  148 ALA  QB          149 VAL  HN          4.50    (#   8304:10  Preassigned    3.28, 4.14 A)
 &rst
  ixpk= 8304, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2261,2262,2263,
 &end
#
#   97 THR  QG           97 THR  HN          6.00    (#   8305:10  Preassigned    2.08, 3.53 A)
 &rst
  ixpk= 8305, nxpk= 10, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1486,1487,1488,
 &end
#
#  179 ALA  QB          180 SER  HN          4.50    (#   8317:10  Preassigned    2.21, 3.64 A)
 &rst
  ixpk= 8317, nxpk= 10, iat=  -1,2729, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2723,2724,2725,
 &end
#
#  176 ILE  HG2         177 THR  HN          4.50    (#   8318:10  Preassigned    3.96, 4.36 A)
 &rst
  ixpk= 8318, nxpk= 10, iat=2685,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HG3         177 THR  HN          6.00    (#   8324:10  Preassigned    4.71, 5.01 A)
 &rst
  ixpk= 8324, nxpk= 10, iat=2686,2694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  120 THR  QG          120 THR  HN          3.50    (#   8338:10  Preassigned    2.97, 4.40 A)
 &rst
  ixpk= 8338, nxpk= 10, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1814,1815,1816,
 &end
#
#  124 THR  QG          124 THR  HN          3.50    (#   8340:10  Preassigned    2.21, 3.13 A)
 &rst
  ixpk= 8340, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1878,1879,1880,
 &end
#
#  122 THR  QG          120 THR  HN          4.50    (#   8349:10  Preassigned    4.15, 5.85 A)
 &rst
  ixpk= 8349, nxpk= 10, iat=  -1,1808, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  122 THR  QG          122 THR  HN          4.50    (#   8358:10  Preassigned    2.22, 3.21 A)
 &rst
  ixpk= 8358, nxpk= 10, iat=  -1,1839, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  122 THR  QG          124 THR  HN          4.50    (#   8364:10  Double         0.00, 0.00)
 &rst
  ixpk= 8364, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  100 GLU  HB3         104 GLY  HN          6.00    (#   8367:10  Preassigned    3.13, 4.50 A)
 &rst
  ixpk= 8367, nxpk= 10, iat=1533,1580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  158 ALA  QB          160 GLY  HN          6.00    (#   8368:10  Preassigned    5.13, 5.81 A)
 &rst
  ixpk= 8368, nxpk= 10, iat=  -1,2444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2424,2425,2426,
 &end
#
#  153 LEU  QD1         125 LYS  HN          4.50    (#   8389:10  Preassigned    4.90, 6.55 A)
 &rst
  ixpk= 8389, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2345,2346,2347,
 &end
#
#  140 LEU  QQD         140 LEU  HN          3.50    (#   8418:10  Preassigned    3.16, 4.49 A)
 &rst
  ixpk= 8418, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  149 VAL  QG2         149 VAL  HN          3.50    (#   8422:10  Preassigned    2.27, 3.34 A)
 &rst
  ixpk= 8422, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2277,2278,2279,
 &end
#
#  153 LEU  QD1         153 LEU  HN          3.50    (#   8434:10  Preassigned    3.76, 4.78 A)
 &rst
  ixpk= 8434, nxpk= 10, iat=  -1,2336, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  164 VAL  QG2         123 LEU  HN          4.50    (#   8441:10  Preassigned    4.28, 5.09 A)
 &rst
  ixpk= 8441, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  106 ILE  QD          106 ILE  HN          3.50    (#   8442:10  Preassigned    1.66, 3.16 A)
 &rst
  ixpk= 8442, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1617,1618,1619,
 &end
#
#  153 LEU  QD2         154 LYS  HN          3.50    (#   8445:10  Preassigned    3.03, 4.72 A)
 &rst
  ixpk= 8445, nxpk= 10, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2349,2350,2351,
 &end
#
#  153 LEU  QD1         154 LYS  HN          4.50    (#   8446:10  Preassigned    5.15, 5.79 A)
 &rst
  ixpk= 8446, nxpk= 10, iat=  -1,2355, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2345,2346,2347,
 &end
#
#  153 LEU  QD2         125 LYS  HN          4.50    (#   8453:10  Preassigned    4.90, 6.55 A)
 &rst
  ixpk= 8453, nxpk= 10, iat=  -1,1886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2349,2350,2351,
 &end
#
#  164 VAL  QG2         164 VAL  HN          3.50    (#   8456:10  Preassigned    1.98, 3.07 A)
 &rst
  ixpk= 8456, nxpk= 10, iat=  -1,2490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2500,2501,2502,
 &end
#
#  106 ILE  QD          105 MET  HN          4.50    (#   8473:10  Preassigned    2.36, 4.83 A)
 &rst
  ixpk= 8473, nxpk= 10, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1617,1618,1619,
 &end
#
#  170 ILE  QG1         170 ILE  HN          4.50    (#   8486:10  Preassigned    4.09, 4.51 A)
 &rst
  ixpk= 8486, nxpk= 10, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2594,2595,
 &end
#
#  164 VAL  QG2         168 GLU  HN          6.00    (#   8492:10  Preassigned    5.62, 6.73 A)
 &rst
  ixpk= 8492, nxpk= 10, iat=  -1,2549, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2500,2501,2502,
 &end
#
#  140 LEU  QQD         132 MET  HN          4.50    (#   8499:10  Double         0.00, 0.00)
 &rst
  ixpk= 8499, nxpk= 10, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  152 LEU  QQD         153 LEU  HN          3.50    (#   8506:10  Preassigned    1.92, 5.12 A)
 &rst
  ixpk= 8506, nxpk= 10, iat=  -1,2336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  173 VAL  QG1         173 VAL  HN          3.50    (#   8508:10  Preassigned    3.75, 4.35 A)
 &rst
  ixpk= 8508, nxpk= 10, iat=  -1,2639, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2645,2646,2647,
 &end
#
#  177 THR  QG          178 SER  HN          4.50    (#   8510:10  Preassigned    2.54, 4.13 A)
 &rst
  ixpk= 8510, nxpk= 10, iat=  -1,2708, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2700,2701,2702,
 &end
#
#  177 THR  QG          176 ILE  HN          3.50    (#   8511:10  Double         0.00, 0.00)
 &rst
  ixpk= 8511, nxpk= 10, iat=  -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  177 THR  QG          175 ALA  HN          3.50    (#   8516:10  Double         0.00, 0.00)
 &rst
  ixpk= 8516, nxpk= 10, iat=  -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  140 LEU  QQD         139 PHE  HN          3.50    (#   8520:10  Preassigned    4.13, 6.58 A)
 &rst
  ixpk= 8520, nxpk= 10, iat=  -1,2115, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  152 LEU  QQD         155 ASP  HN          4.50    (#   8521:10  Preassigned    4.97, 6.85 A)
 &rst
  ixpk= 8521, nxpk= 10, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  152 LEU  QQD         152 LEU  HN          3.50    (#   8539:10  Preassigned    2.19, 4.53 A)
 &rst
  ixpk= 8539, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  149 VAL  QG1         152 LEU  HN          4.50    (#   8540:10  Double         0.00, 0.00)
 &rst
  ixpk= 8540, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2273,2274,2275,
 &end
#
#  171 VAL  QG2         172 PHE  HN          3.50    (#   8541:10  Preassigned    3.75, 4.69 A)
 &rst
  ixpk= 8541, nxpk= 10, iat=  -1,2619, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2613,2614,2615,
 &end
#
#  107 ILE  QG2         108 ASP  HN          3.50    (#   8563:10  Preassigned    3.12, 4.27 A)
 &rst
  ixpk= 8563, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1629,1630,1631,
 &end
#
#  171 VAL  QG2         172 PHE  HN          3.50    (#   8582:10  Preassigned    3.75, 4.69 A)
 &rst
  ixpk= 8582, nxpk= 10, iat=  -1,2619, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2613,2614,2615,
 &end
#
#  164 VAL  QG2         156 LEU  HN          4.50    (#   8601:10  Double         0.00, 0.00)
 &rst
  ixpk= 8601, nxpk= 10, iat=  -1,2389, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  156 LEU  QD1         156 LEU  HN          3.50    (#   8616:10  Preassigned    4.19, 4.82 A)
 &rst
  ixpk= 8616, nxpk= 10, iat=  -1,2389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2398,2399,2400,
 &end
#
#  131 LEU  QD1         132 MET  HN          4.50    (#   8639:10  Double         0.00, 0.00)
 &rst
  ixpk= 8639, nxpk= 10, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1996,1997,1998,
 &end
#
#  123 LEU  QQD         123 LEU  HN          4.50    (#   8656:10  Preassigned    2.42, 4.33 A)
 &rst
  ixpk= 8656, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  156 LEU  QD2         156 LEU  HN          3.50    (#   8681:10  Preassigned    2.05, 3.14 A)
 &rst
  ixpk= 8681, nxpk= 10, iat=  -1,2389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2402,2403,2404,
 &end
#
#  170 ILE  QG2         170 ILE  HN          3.50    (#   8697:10  Preassigned    2.17, 3.44 A)
 &rst
  ixpk= 8697, nxpk= 10, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2590,2591,2592,
 &end
#
#  173 VAL  QG2         173 VAL  HN          3.50    (#   8751:10  Preassigned    2.13, 3.42 A)
 &rst
  ixpk= 8751, nxpk= 10, iat=  -1,2639, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2649,2650,2651,
 &end
#
#  140 LEU  QQD         133 GLU  HN          4.50    (#   8822:10  Double         0.00, 0.00)
 &rst
  ixpk= 8822, nxpk= 10, iat=  -1,2023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  152 LEU  QQD         151 LYS  HN          4.50    (#   8824:10  Double         0.00, 0.00)
 &rst
  ixpk= 8824, nxpk= 10, iat=  -1,2295, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  140 LEU  QQD         133 GLU  HN          4.50    (#   8832:10  Double         0.00, 0.00)
 &rst
  ixpk= 8832, nxpk= 10, iat=  -1,2023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  177 THR  QG          177 THR  HN          3.50    (#   8835:10  Preassigned    1.99, 3.06 A)
 &rst
  ixpk= 8835, nxpk= 10, iat=  -1,2694, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  156 LEU  QD1         157 ASP  HN          4.50    (#   8845:10  Preassigned    3.02, 4.88 A)
 &rst
  ixpk= 8845, nxpk= 10, iat=  -1,2408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2398,2399,2400,
 &end
#
#  131 LEU  HG          135 GLU  HN          4.50    (#   8849:10  Preassigned    3.73, 4.66 A)
 &rst
  ixpk= 8849, nxpk= 10, iat=1994,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  131 LEU  QD1         111 SER  HN          6.00    (#   8852:10  Preassigned    3.73, 6.32 A)
 &rst
  ixpk= 8852, nxpk= 10, iat=  -1,1690, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1996,1997,1998,
 &end
#
#  123 LEU  QQD         114 SER  HN          4.50    (#   8867:10  Preassigned    2.28, 5.03 A)
 &rst
  ixpk= 8867, nxpk= 10, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  123 LEU  QQD         124 THR  HN          4.50    (#   8883:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 8883, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  131 LEU  QD2         114 SER  HN          4.50    (#   8885:10  Preassigned    4.90, 6.33 A)
 &rst
  ixpk= 8885, nxpk= 10, iat=  -1,1746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2000,2001,2002,
 &end
#
#  123 LEU  QQD         124 THR  HN          4.50    (#   8894:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 8894, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  124 THR  HB          125 LYS  HN          3.50    (#   8996:10  Preassigned    3.72, 3.83 A)
 &rst
  ixpk= 8996, nxpk= 10, iat=1876,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 LYS  HA          125 LYS  HN          4.50    (#   8997:10  Preassigned    2.74, 2.77 A)
 &rst
  ixpk= 8997, nxpk= 10, iat=1888,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  187 THR  HA          190 LYS  HN          3.50    (#   8998:10  Preassigned    3.33, 3.84 A)
 &rst
  ixpk= 8998, nxpk= 10, iat=2859,2897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 GLU  HA          127 GLU  HN          4.50    (#   8999:10  Preassigned    2.90, 2.95 A)
 &rst
  ixpk= 8999, nxpk= 10, iat=1917,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LEU  HA          127 GLU  HN          4.50    (#   9000:10  Preassigned    4.87, 4.99 A)
 &rst
  ixpk= 9000, nxpk= 10, iat=1932,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 GLY  QA          127 GLU  HN          3.50    (#   9001:10  Preassigned    2.92, 3.27 A)
 &rst
  ixpk= 9001, nxpk= 10, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1910,1911,
 &end
#
#  161 ASP  HB2         162 ALA  HN          4.50    (#   9003:10  Preassigned    3.33, 3.46 A)
 &rst
  ixpk= 9003, nxpk= 10, iat=2455,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HN          104 GLY  HN          4.50    (#   9005:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 9005, nxpk= 10, iat=1587,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 GLY  HA3         104 GLY  HN          3.50    (#   9006:10  Preassigned    2.08, 2.40 A)
 &rst
  ixpk= 9006, nxpk= 10, iat=1583,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 GLY  HA2         104 GLY  HN          3.50    (#   9007:10  Preassigned    2.33, 2.74 A)
 &rst
  ixpk= 9007, nxpk= 10, iat=1582,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HB3         104 GLY  HN          4.50    (#   9008:10  Preassigned    2.07, 2.88 A)
 &rst
  ixpk= 9008, nxpk= 10, iat=1568,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  138 GLY  QA          138 GLY  HN          3.50    (#   9011:10  Preassigned    2.24, 2.59 A)
 &rst
  ixpk= 9011, nxpk= 10, iat=  -1,2108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2110,2111,
 &end
#
#  175 ALA  HN          174 ALA  HN          4.50    (#   9021:10  Preassigned    2.82, 2.90 A)
 &rst
  ixpk= 9021, nxpk= 10, iat=2665,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HN          174 ALA  HN          4.50    (#   9022:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 9022, nxpk= 10, iat=2639,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  QG1         174 ALA  HN          3.50    (#   9023:10  Preassigned    2.69, 3.89 A)
 &rst
  ixpk= 9023, nxpk= 10, iat=  -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2645,2646,2647,
 &end
#
#  173 VAL  QG2         174 ALA  HN          3.50    (#   9026:10  Preassigned    4.48, 5.05 A)
 &rst
  ixpk= 9026, nxpk= 10, iat=  -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2649,2650,2651,
 &end
#
#  174 ALA  QB          174 ALA  HN          3.50    (#   9027:10  Preassigned    2.31, 2.83 A)
 &rst
  ixpk= 9027, nxpk= 10, iat=  -1,2655, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2659,2660,2661,
 &end
#
#  170 ILE  HA          174 ALA  HN          4.50    (#   9028:10  Preassigned    3.67, 3.87 A)
 &rst
  ixpk= 9028, nxpk= 10, iat=2586,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  HA          174 ALA  HN          4.50    (#   9030:10  Preassigned    2.79, 2.84 A)
 &rst
  ixpk= 9030, nxpk= 10, iat=2657,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HB          174 ALA  HN          3.50    (#   9031:10  Preassigned    2.69, 2.98 A)
 &rst
  ixpk= 9031, nxpk= 10, iat=2643,2655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  165 ASP  HA          165 ASP  HN          4.50    (#   9035:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 9035, nxpk= 10, iat=2508,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  HA          165 ASP  HN          3.50    (#   9036:10  Preassigned    2.24, 2.29 A)
 &rst
  ixpk= 9036, nxpk= 10, iat=2492,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HG3         165 ASP  HN          3.50    (#   9037:10  Preassigned    2.28, 2.69 A)
 &rst
  ixpk= 9037, nxpk= 10, iat=2557,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  164 VAL  QG1         165 ASP  HN          3.50    (#   9038:10  Preassigned    3.88, 4.51 A)
 &rst
  ixpk= 9038, nxpk= 10, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2496,2497,2498,
 &end
#
#  165 ASP  HB2         165 ASP  HN          4.50    (#   9039:10  Preassigned    2.27, 2.52 A)
 &rst
  ixpk= 9039, nxpk= 10, iat=2510,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  QG2         165 ASP  HN          4.50    (#   9041:10  Preassigned    4.56, 5.29 A)
 &rst
  ixpk= 9041, nxpk= 10, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  123 LEU  HN          164 VAL  HN          4.50    (#   9045:10  Preassigned    2.99, 3.49 A)
 &rst
  ixpk= 9045, nxpk= 10, iat=1853,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HN          164 VAL  HN          6.00    (#   9046:10  Preassigned    3.24, 3.85 A)
 &rst
  ixpk= 9046, nxpk= 10, iat=2473,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HA          164 VAL  HN          3.50    (#   9047:10  Preassigned    2.01, 2.19 A)
 &rst
  ixpk= 9047, nxpk= 10, iat=2475,2490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 LEU  HB3         164 VAL  HN          6.00    (#   9048:10  Preassigned    4.87, 5.67 A)
 &rst
  ixpk= 9048, nxpk= 10, iat=1858,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  165 ASP  HN          164 VAL  HN          6.00    (#   9049:10  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 9049, nxpk= 10, iat=2506,2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HG3         164 VAL  HN          4.50    (#   9050:10  Preassigned    4.99, 5.15 A)
 &rst
  ixpk= 9050, nxpk= 10, iat=2481,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HB2         160 GLY  HN          6.00    (#   9052:10  Preassigned    3.03, 4.18 A)
 &rst
  ixpk= 9052, nxpk= 10, iat=2434,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  171 VAL  QG1         171 VAL  HN          3.50    (#   9057:10  Preassigned    4.19, 4.57 A)
 &rst
  ixpk= 9057, nxpk= 10, iat=  -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2609,2610,2611,
 &end
#
#  171 VAL  QG2         171 VAL  HN          3.50    (#   9058:10  Preassigned    2.12, 3.07 A)
 &rst
  ixpk= 9058, nxpk= 10, iat=  -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2613,2614,2615,
 &end
#
#  170 ILE  HB          171 VAL  HN          4.50    (#   9060:10  Preassigned    3.77, 3.93 A)
 &rst
  ixpk= 9060, nxpk= 10, iat=2588,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  179 ALA  QB          179 ALA  HN          3.50    (#   9061:10  Preassigned    2.40, 2.93 A)
 &rst
  ixpk= 9061, nxpk= 10, iat=  -1,2719, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2723,2724,2725,
 &end
#
#  185 GLU  HN          184 PHE  HN          4.50    (#   9062:10  Preassigned    2.59, 3.70 A)
 &rst
  ixpk= 9062, nxpk= 10, iat=2820,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  187 THR  HN          184 PHE  HN          4.50    (#   9063:10  Preassigned    3.48, 4.54 A)
 &rst
  ixpk= 9063, nxpk= 10, iat=2857,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 ALA  HA          106 ILE  HN          4.50    (#   9065:10  Preassigned    3.88, 4.47 A)
 &rst
  ixpk= 9065, nxpk= 10, iat=1555,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 GLU  QB           98 GLU  HN          3.50    (#   9068:10  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 9068, nxpk= 10, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#  153 LEU  HN          152 LEU  HN          3.50    (#   9069:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 9069, nxpk= 10, iat=2336,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HA          135 GLU  HN          6.00    (#   9072:10  Preassigned    1.87, 2.93 A)
 &rst
  ixpk= 9072, nxpk= 10, iat=2040,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  149 VAL  QG2         149 VAL  HN          3.50    (#   9073:10  Preassigned    2.27, 3.34 A)
 &rst
  ixpk= 9073, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2277,2278,2279,
 &end
#
#  149 VAL  HA          149 VAL  HN          4.50    (#   9074:10  Preassigned    2.82, 2.92 A)
 &rst
  ixpk= 9074, nxpk= 10, iat=2269,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  179 ALA  HN          178 SER  HN          4.50    (#   9076:10  Preassigned    2.29, 2.56 A)
 &rst
  ixpk= 9076, nxpk= 10, iat=2719,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HA          178 SER  HN          4.50    (#   9077:10  Preassigned    3.82, 4.02 A)
 &rst
  ixpk= 9077, nxpk= 10, iat=2677,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  QG1         169 PHE  HN          3.50    (#   9078:10  Preassigned    2.06, 2.98 A)
 &rst
  ixpk= 9078, nxpk= 10, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2496,2497,2498,
 &end
#
#  170 ILE  QG2         169 PHE  HN          4.50    (#   9079:10  Preassigned    4.76, 5.95 A)
 &rst
  ixpk= 9079, nxpk= 10, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2590,2591,2592,
 &end
#
#  173 VAL  QG2         169 PHE  HN          4.50    (#   9080:10  Preassigned    4.15, 6.57 A)
 &rst
  ixpk= 9080, nxpk= 10, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2649,2650,2651,
 &end
#
#  164 VAL  QG2         169 PHE  HN          4.50    (#   9081:10  Preassigned    4.23, 5.39 A)
 &rst
  ixpk= 9081, nxpk= 10, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  129 LYS  HN          128 LEU  HN          6.00    (#   9082:10  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 9082, nxpk= 10, iat=1949,1930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 LEU  QD2         128 LEU  HN          4.50    (#   9083:10  Preassigned    3.93, 4.85 A)
 &rst
  ixpk= 9083, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1943,1944,1945,
 &end
#
#  103 MET  HN          102 ALA  HN          4.50    (#   9084:10  Preassigned    2.15, 2.35 A)
 &rst
  ixpk= 9084, nxpk= 10, iat=1563,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  QD          102 ALA  HN          4.50    (#   9085:10  Preassigned    5.06, 6.06 A)
 &rst
  ixpk= 9085, nxpk= 10, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1617,1618,1619,
 &end
#
#  132 MET  HG2         132 MET  HN          4.50    (#   9087:10  Preassigned    1.88, 2.61 A)
 &rst
  ixpk= 9087, nxpk= 10, iat=2013,2006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  QB          132 MET  HN          3.50    (#   9088:10  Preassigned    2.44, 3.52 A)
 &rst
  ixpk= 9088, nxpk= 10, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2010,2011,
 &end
#
#  134 LYS  QB          132 MET  HN          3.50    (#   9089:10                 0.00, 0.00)
 &rst
  ixpk= 9089, nxpk= 10, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2042,2043,
 &end
#
#  131 LEU  QD2         132 MET  HN          4.50    (#   9090:10  Preassigned    3.66, 5.11 A)
 &rst
  ixpk= 9090, nxpk= 10, iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2000,2001,2002,
 &end
#
#  107 ILE  HB          107 ILE  HN          3.50    (#   9093:10  Preassigned    2.08, 2.17 A)
 &rst
  ixpk= 9093, nxpk= 10, iat=1627,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 SER  HN          113 TYR  HN          3.50    (#   9096:10  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 9096, nxpk= 10, iat=1746,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HA          113 TYR  HN          3.50    (#   9098:10  Preassigned    2.48, 2.70 A)
 &rst
  ixpk= 9098, nxpk= 10, iat=1727,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HB2         113 TYR  HN          3.50    (#   9099:10  Preassigned    2.07, 2.91 A)
 &rst
  ixpk= 9099, nxpk= 10, iat=1705,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HG3         113 TYR  HN          3.50    (#   9100:10  Preassigned    3.69, 4.36 A)
 &rst
  ixpk= 9100, nxpk= 10, iat=1709,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  QD2         129 LYS  HN          3.50    (#   9103:10  Preassigned    2.42, 3.81 A)
 &rst
  ixpk= 9103, nxpk= 10, iat=  -1,1949, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1943,1944,1945,
 &end
#
#  128 LEU  HB3         129 LYS  HN          3.50    (#   9104:10  Preassigned    2.36, 2.91 A)
 &rst
  ixpk= 9104, nxpk= 10, iat=1935,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HA          170 ILE  HN          3.50    (#   9107:10  Preassigned    3.49, 3.58 A)
 &rst
  ixpk= 9107, nxpk= 10, iat=2566,2584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HA          157 ASP  HN          3.50    (#   9112:10  Preassigned    2.80, 3.45 A)
 &rst
  ixpk= 9112, nxpk= 10, iat=2357,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB2         157 ASP  HN          3.50    (#   9113:10  Preassigned    3.05, 3.53 A)
 &rst
  ixpk= 9113, nxpk= 10, iat=2393,2408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HG3         134 LYS  HN          3.50    (#   9116:10  Preassigned    2.53, 3.72 A)
 &rst
  ixpk= 9116, nxpk= 10, iat=2046,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ILE  HN          106 ILE  HN          4.50    (#   9120:10  Preassigned    2.11, 2.60 A)
 &rst
  ixpk= 9120, nxpk= 10, iat=1623,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  QG1         106 ILE  HN          4.50    (#   9121:10  Double         0.00, 0.00)
 &rst
  ixpk= 9121, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1633,1634,
 &end
#
#  116 SER  HN          117 GLU  HN          4.50    (#   9122:10  Preassigned    2.28, 2.96 A)
 &rst
  ixpk= 9122, nxpk= 10, iat=1764,1775, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HN          139 PHE  HN          4.50    (#   9125:10  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 9125, nxpk= 10, iat=2135,2115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HN          151 LYS  HN          3.50    (#   9126:10  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 9126, nxpk= 10, iat=2283,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB3         151 LYS  HN          3.50    (#   9127:10  Preassigned    3.17, 3.75 A)
 &rst
  ixpk= 9127, nxpk= 10, iat=2288,2295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  174 ALA  HA          177 THR  HN          3.50    (#   9128:10  Preassigned    3.41, 3.57 A)
 &rst
  ixpk= 9128, nxpk= 10, iat=2657,2694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  160 GLY  HN          161 ASP  HN          3.50    (#   9130:10  Preassigned    1.80, 2.71 A)
 &rst
  ixpk= 9130, nxpk= 10, iat=2444,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  144 LYS  QB          145 ASP  HN          3.50    (#   9134:10  Preassigned    3.81, 4.23 A)
 &rst
  ixpk= 9134, nxpk= 10, iat=  -1,2211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2193,2194,
 &end
#
#  153 LEU  HB3         153 LEU  HN          3.50    (#   9135:10  Preassigned    2.19, 2.83 A)
 &rst
  ixpk= 9135, nxpk= 10, iat=2341,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  QB          164 VAL  HN          3.50    (#   9136:10  Preassigned    3.67, 4.29 A)
 &rst
  ixpk= 9136, nxpk= 10, iat=  -1,2490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2477,2478,
 &end
#
#  123 LEU  QQD         164 VAL  HN          6.00    (#   9138:10  Preassigned    3.63, 6.56 A)
 &rst
  ixpk= 9138, nxpk= 10, iat=  -1,2490, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  121 GLN  HA          122 THR  HN          3.50    (#   9139:10  Preassigned    1.86, 2.66 A)
 &rst
  ixpk= 9139, nxpk= 10, iat=1824,1839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  175 ALA  HN          176 ILE  HN          3.50    (#   9142:10  Preassigned    2.23, 2.35 A)
 &rst
  ixpk= 9142, nxpk= 10, iat=2665,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB3         172 PHE  HN          3.50    (#   9144:10  Preassigned    4.85, 6.23 A)
 &rst
  ixpk= 9144, nxpk= 10, iat=2394,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HN          116 SER  HN          4.50    (#   9145:10  Preassigned    2.28, 2.96 A)
 &rst
  ixpk= 9145, nxpk= 10, iat=1775,1764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 THR  HN          121 GLN  HN          6.00    (#   9146:10  Preassigned    2.72, 3.73 A)
 &rst
  ixpk= 9146, nxpk= 10, iat=1808,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  121 GLN  QG          121 GLN  HN          3.50    (#   9147:10  Preassigned    2.06, 3.14 A)
 &rst
  ixpk= 9147, nxpk= 10, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1829,1830,
 &end
#
#  172 PHE  HA          173 VAL  HN          3.50    (#   9148:10  Preassigned    3.50, 3.55 A)
 &rst
  ixpk= 9148, nxpk= 10, iat=2621,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  146 LYS  HN          145 ASP  HN          3.50    (#   9149:10  Preassigned    2.20, 2.82 A)
 &rst
  ixpk= 9149, nxpk= 10, iat=2223,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  187 THR  HA          188 GLY  HN          4.50    (#   9150:10  Preassigned    2.19, 3.41 A)
 &rst
  ixpk= 9150, nxpk= 10, iat=2859,2871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  188 GLY  QA          188 GLY  HN          4.50    (#   9151:10  Preassigned    2.31, 2.69 A)
 &rst
  ixpk= 9151, nxpk= 10, iat=  -1,2871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2873,2874,
 &end
#
#  117 GLU  HA          118 GLY  HN          3.50    (#   9152:10  Preassigned    2.10, 3.44 A)
 &rst
  ixpk= 9152, nxpk= 10, iat=1777,1790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB3         149 VAL  HN          4.50    (#   9154:10  Preassigned    6.30, 6.97 A)
 &rst
  ixpk= 9154, nxpk= 10, iat=2288,2267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HA          156 LEU  HN          4.50    (#   9157:10  Preassigned    3.31, 3.37 A)
 &rst
  ixpk= 9157, nxpk= 10, iat=2379,2389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HB3         156 LEU  HN          3.50    (#   9158:10  Preassigned    3.53, 4.03 A)
 &rst
  ixpk= 9158, nxpk= 10, iat=2382,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB2         156 LEU  HN          3.50    (#   9159:10  Preassigned    3.64, 3.74 A)
 &rst
  ixpk= 9159, nxpk= 10, iat=2393,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HG          156 LEU  HN          3.50    (#   9160:10  Preassigned    2.09, 2.69 A)
 &rst
  ixpk= 9160, nxpk= 10, iat=2396,2389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  QD2         157 ASP  HN          4.50    (#   9161:10  Preassigned    3.92, 6.73 A)
 &rst
  ixpk= 9161, nxpk= 10, iat=  -1,2408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2402,2403,2404,
 &end
#
#  104 GLY  HN          105 MET  HN          4.50    (#   9162:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 9162, nxpk= 10, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  158 ALA  QB          158 ALA  HN          3.50    (#   9163:10  Preassigned    2.33, 3.05 A)
 &rst
  ixpk= 9163, nxpk= 10, iat=  -1,2420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  157 ASP  HA          158 ALA  HN          3.50    (#   9164:10  Preassigned    3.33, 3.49 A)
 &rst
  ixpk= 9164, nxpk= 10, iat=2410,2420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HG3         163 GLN  HN          3.50    (#   9166:10  Preassigned    2.97, 3.25 A)
 &rst
  ixpk= 9166, nxpk= 10, iat=2481,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  162 ALA  HN          163 GLN  HN          4.50    (#   9167:10  Preassigned    1.74, 1.90 A)
 &rst
  ixpk= 9167, nxpk= 10, iat=2463,2473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HB2         168 GLU  HN          3.50    (#   9168:10  Preassigned    2.48, 2.73 A)
 &rst
  ixpk= 9168, nxpk= 10, iat=2553,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HN          171 VAL  HN          4.50    (#   9169:10  Preassigned    2.46, 2.57 A)
 &rst
  ixpk= 9169, nxpk= 10, iat=2619,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  HN          171 VAL  HN          4.50    (#   9170:10  Preassigned    2.48, 2.66 A)
 &rst
  ixpk= 9170, nxpk= 10, iat=2584,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  QG2         171 VAL  HN          3.50    (#   9171:10  Preassigned    2.39, 3.31 A)
 &rst
  ixpk= 9171, nxpk= 10, iat=  -1,2603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2590,2591,2592,
 &end
#
#  168 GLU  HA          171 VAL  HN          4.50    (#   9173:10  Preassigned    3.12, 3.43 A)
 &rst
  ixpk= 9173, nxpk= 10, iat=2551,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  QG2         176 ILE  HN          3.50    (#   9175:10  Preassigned    4.24, 4.57 A)
 &rst
  ixpk= 9175, nxpk= 10, iat=  -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2681,2682,2683,
 &end
#
#  190 LYS  HA          190 LYS  HN          4.50    (#   9177:10  Preassigned    2.30, 2.76 A)
 &rst
  ixpk= 9177, nxpk= 10, iat=2899,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  189 LEU  HG          190 LYS  HN          4.50    (#   9178:10  Preassigned    3.10, 4.00 A)
 &rst
  ixpk= 9178, nxpk= 10, iat=2885,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  190 LYS  HB3         190 LYS  HN          4.50    (#   9181:10  Preassigned    2.57, 3.01 A)
 &rst
  ixpk= 9181, nxpk= 10, iat=2902,2897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  187 THR  HB          187 THR  HN          4.50    (#   9183:10  Preassigned    2.93, 3.48 A)
 &rst
  ixpk= 9183, nxpk= 10, iat=2861,2857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HA          108 ASP  HN          3.50    (#   9184:10  Preassigned    2.80, 2.87 A)
 &rst
  ixpk= 9184, nxpk= 10, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  QQD         152 LEU  HN          3.50    (#   9187:10  Preassigned    2.19, 4.53 A)
 &rst
  ixpk= 9187, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  176 ILE  HN          177 THR  HN          4.50    (#   9188:10  Preassigned    2.51, 2.69 A)
 &rst
  ixpk= 9188, nxpk= 10, iat=2675,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  HA          177 THR  HN          4.50    (#   9189:10  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 9189, nxpk= 10, iat=2696,2694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  QB          175 ALA  HN          3.50    (#   9190:10  Preassigned    3.24, 4.03 A)
 &rst
  ixpk= 9190, nxpk= 10, iat=  -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2659,2660,2661,
 &end
#
#  171 VAL  HN          170 ILE  HN          4.50    (#   9192:10  Preassigned    2.48, 2.66 A)
 &rst
  ixpk= 9192, nxpk= 10, iat=2603,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  QD          170 ILE  HN          3.50    (#   9193:10  Preassigned    4.00, 4.98 A)
 &rst
  ixpk= 9193, nxpk= 10, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2597,2598,2599,
 &end
#
#  168 GLU  HG3         166 PHE  HN          4.50    (#   9194:10  Preassigned    4.53, 5.03 A)
 &rst
  ixpk= 9194, nxpk= 10, iat=2557,2518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HN          167 SER  HN          3.50    (#   9195:10  Preassigned    4.32, 4.54 A)
 &rst
  ixpk= 9195, nxpk= 10, iat=2549,2538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HB3         165 ASP  HN          3.50    (#   9200:10  Preassigned    3.97, 4.35 A)
 &rst
  ixpk= 9200, nxpk= 10, iat=2554,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  QB          158 ALA  HN          3.50    (#   9204:10  Double         0.00, 0.00)
 &rst
  ixpk= 9204, nxpk= 10, iat=  -1,2420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2412,2413,
 &end
#
#  154 LYS  QB          155 ASP  HN          3.50    (#   9205:10  Preassigned    2.44, 3.01 A)
 &rst
  ixpk= 9205, nxpk= 10, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  153 LEU  HB2         153 LEU  HN          3.50    (#   9206:10  Preassigned    2.29, 2.61 A)
 &rst
  ixpk= 9206, nxpk= 10, iat=2340,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HA          150 ASP  HN          3.50    (#   9208:10  Preassigned    2.14, 2.62 A)
 &rst
  ixpk= 9208, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  149 VAL  HA          150 ASP  HN          3.50    (#   9209:10  Preassigned    3.40, 3.56 A)
 &rst
  ixpk= 9209, nxpk= 10, iat=2269,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB3         150 ASP  HN          3.50    (#   9210:10  Preassigned    2.09, 2.92 A)
 &rst
  ixpk= 9210, nxpk= 10, iat=2288,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  149 VAL  QG1         150 ASP  HN          3.50    (#   9211:10  Preassigned    3.86, 6.79 A)
 &rst
  ixpk= 9211, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2273,2274,2275,
 &end
#
#  152 LEU  HB3         153 LEU  HN          3.50    (#   9212:10  Preassigned    2.35, 3.52 A)
 &rst
  ixpk= 9212, nxpk= 10, iat=2322,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  142 SER  HA          142 SER  HN          4.50    (#   9213:10  Preassigned    2.68, 2.85 A)
 &rst
  ixpk= 9213, nxpk= 10, iat=2173,2171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLU  QB          135 GLU  HN          4.50    (#   9219:10  Preassigned    2.60, 3.37 A)
 &rst
  ixpk= 9219, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2064,2065,
 &end
#
#  131 LEU  QD1         135 GLU  HN          4.50    (#   9220:10  Preassigned    2.44, 5.30 A)
 &rst
  ixpk= 9220, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1996,1997,1998,
 &end
#
#  135 GLU  QG          135 GLU  HN          4.50    (#   9222:10  Preassigned    1.79, 2.89 A)
 &rst
  ixpk= 9222, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2067,2068,
 &end
#
#  131 LEU  HB3         135 GLU  HN          4.50    (#   9223:10  Preassigned    4.05, 4.82 A)
 &rst
  ixpk= 9223, nxpk= 10, iat=1992,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HD2         135 GLU  HN          6.00    (#   9225:10  Preassigned    4.00, 4.69 A)
 &rst
  ixpk= 9225, nxpk= 10, iat=2095,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  140 LEU  HB3         138 GLY  HN          6.00    (#   9226:10  Preassigned    5.57, 6.40 A)
 &rst
  ixpk= 9226, nxpk= 10, iat=2140,2108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  137 PRO  HD3         138 GLY  HN          4.50    (#   9228:10  Preassigned    4.15, 4.71 A)
 &rst
  ixpk= 9228, nxpk= 10, iat=2096,2108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LEU  QD1         128 LEU  HN          4.50    (#   9230:10  Preassigned    4.50, 5.20 A)
 &rst
  ixpk= 9230, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1939,1940,1941,
 &end
#
#  123 LEU  HG          128 LEU  HN          3.50    (#   9231:10  Preassigned    3.44, 3.97 A)
 &rst
  ixpk= 9231, nxpk= 10, iat=1860,1930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 LEU  HB2         128 LEU  HN          4.50    (#   9232:10  Preassigned    2.38, 3.58 A)
 &rst
  ixpk= 9232, nxpk= 10, iat=1857,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 LYS  QD          126 GLY  HN          4.50    (#   9234:10  Preassigned    5.10, 5.65 A)
 &rst
  ixpk= 9234, nxpk= 10, iat=  -1,1908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1959,1960,
 &end
#
#  114 SER  HN          115 GLY  HN          3.50    (#   9239:10  Preassigned    2.57, 2.82 A)
 &rst
  ixpk= 9239, nxpk= 10, iat=1746,1757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HN          115 GLY  HN          6.00    (#   9240:10  Preassigned    3.12, 3.96 A)
 &rst
  ixpk= 9240, nxpk= 10, iat=1725,1757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  114 SER  HB2         115 GLY  HN          4.50    (#   9241:10  Preassigned    3.77, 4.05 A)
 &rst
  ixpk= 9241, nxpk= 10, iat=1750,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HB3         115 GLY  HN          4.50    (#   9242:10  Preassigned    2.62, 3.37 A)
 &rst
  ixpk= 9242, nxpk= 10, iat=1751,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HN          120 THR  HN          4.50    (#   9243:10  Preassigned    2.72, 3.73 A)
 &rst
  ixpk= 9243, nxpk= 10, iat=1822,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  HN          108 ASP  HN          4.50    (#   9244:10  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 9244, nxpk= 10, iat=1623,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  HN          107 ILE  HN          4.50    (#   9245:10  Preassigned    2.11, 2.60 A)
 &rst
  ixpk= 9245, nxpk= 10, iat=1604,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 LEU  HN           98 GLU  HN          4.50    (#   9247:10  Preassigned    2.69, 3.07 A)
 &rst
  ixpk= 9247, nxpk= 10, iat=1509,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HN          107 ILE  HN          3.50    (#   9249:10  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 9249, nxpk= 10, iat=1642,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ILE  QG1         107 ILE  HN          3.50    (#   9250:10  Preassigned    2.18, 3.71 A)
 &rst
  ixpk= 9250, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1614,1615,
 &end
#
#  102 ALA  HN          103 MET  HN          4.50    (#   9251:10  Preassigned    2.15, 2.35 A)
 &rst
  ixpk= 9251, nxpk= 10, iat=1553,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 SER  HA          119 SER  HN          4.50    (#   9252:10  Preassigned    2.16, 2.53 A)
 &rst
  ixpk= 9252, nxpk= 10, iat=1799,1797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HN          116 SER  HN          4.50    (#   9255:10  Preassigned    4.15, 4.59 A)
 &rst
  ixpk= 9255, nxpk= 10, iat=1746,1764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 THR  HB          122 THR  HN          4.50    (#   9256:10  Preassigned    3.49, 3.62 A)
 &rst
  ixpk= 9256, nxpk= 10, iat=1843,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  HN          129 LYS  HN          4.50    (#   9257:10  Preassigned    3.23, 3.77 A)
 &rst
  ixpk= 9257, nxpk= 10, iat=1915,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HB3         133 GLU  HN          3.50    (#   9258:10  Preassigned    3.48, 3.70 A)
 &rst
  ixpk= 9258, nxpk= 10, iat=2028,2023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  HG3         135 GLU  HN          4.50    (#   9259:10  Preassigned    2.93, 3.96 A)
 &rst
  ixpk= 9259, nxpk= 10, iat=2046,2060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 GLU  HA          100 GLU  HN          4.50    (#   9265:10  Preassigned    3.13, 3.93 A)
 &rst
  ixpk= 9265, nxpk= 10, iat=1496,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HN          154 LYS  HN          3.50    (#   9269:10  Preassigned    2.77, 3.15 A)
 &rst
  ixpk= 9269, nxpk= 10, iat=2377,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  162 ALA  HN          161 ASP  HN          3.50    (#   9273:10  Preassigned    2.88, 3.64 A)
 &rst
  ixpk= 9273, nxpk= 10, iat=2463,2451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  165 ASP  HB2         167 SER  HN          4.50    (#   9275:10  Preassigned    2.82, 3.65 A)
 &rst
  ixpk= 9275, nxpk= 10, iat=2510,2538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  QQD         142 SER  HN          4.50    (#   9276:10  Preassigned    5.44, 6.57 A)
 &rst
  ixpk= 9276, nxpk= 10, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  140 LEU  HN          141 GLN  HN          3.50    (#   9277:10  Preassigned    2.42, 2.68 A)
 &rst
  ixpk= 9277, nxpk= 10, iat=2135,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 SER  HB3         121 GLN  HN          4.50    (#   9278:10  Preassigned    3.34, 5.29 A)
 &rst
  ixpk= 9278, nxpk= 10, iat=1802,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HA          112 ARG  HN          3.50    (#   9279:10  Preassigned    2.25, 2.75 A)
 &rst
  ixpk= 9279, nxpk= 10, iat=1703,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  187 THR  HA          187 THR  HN          4.50    (#   9281:10  Preassigned    2.14, 2.73 A)
 &rst
  ixpk= 9281, nxpk= 10, iat=2859,2857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  188 GLY  QA          187 THR  HN          4.50    (#   9287:10  Preassigned    1.82, 4.38 A)
 &rst
  ixpk= 9287, nxpk= 10, iat=  -1,2857, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2873,2874,
 &end
#
#  149 VAL  HN          150 ASP  HN          3.50    (#   9289:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 9289, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 LYS  HA          129 LYS  HN          3.50    (#   9291:10  Preassigned    2.82, 2.86 A)
 &rst
  ixpk= 9291, nxpk= 10, iat=1951,1949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  131 LEU  QD2         131 LEU  HN          4.50    (#   9293:10  Preassigned    3.64, 4.98 A)
 &rst
  ixpk= 9293, nxpk= 10, iat=  -1,1987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2000,2001,2002,
 &end
#
#  131 LEU  QD1         131 LEU  HN          3.50    (#   9294:10  Preassigned    2.43, 4.73 A)
 &rst
  ixpk= 9294, nxpk= 10, iat=  -1,1987, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1996,1997,1998,
 &end
#
#  131 LEU  HB3         131 LEU  HN          3.50    (#   9295:10  Preassigned    2.24, 2.62 A)
 &rst
  ixpk= 9295, nxpk= 10, iat=1992,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  149 VAL  HN          150 ASP  HN          4.50    (#   9297:10  Preassigned    2.65, 3.36 A)
 &rst
  ixpk= 9297, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  148 ALA  QB          150 ASP  HN          3.50    (#   9298:10  Preassigned    2.77, 4.68 A)
 &rst
  ixpk= 9298, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2261,2262,2263,
 &end
#
#  140 LEU  QQD         141 GLN  HN          3.50    (#   9299:10  Preassigned    3.96, 5.29 A)
 &rst
  ixpk= 9299, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  176 ILE  QD          176 ILE  HN          3.50    (#   9300:10  Double         0.00, 0.00)
 &rst
  ixpk= 9300, nxpk= 10, iat=  -1,2675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2688,2689,2690,
 &end
#
#  176 ILE  HG3         176 ILE  HN          3.50    (#   9301:10  Preassigned    3.54, 3.68 A)
 &rst
  ixpk= 9301, nxpk= 10, iat=2686,2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HB3         108 ASP  HN          3.50    (#   9304:10  Preassigned    2.14, 2.52 A)
 &rst
  ixpk= 9304, nxpk= 10, iat=1647,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 GLU  HB3          97 THR  HN          6.00    (#   9305:10  Preassigned    3.30, 4.11 A)
 &rst
  ixpk= 9305, nxpk= 10, iat=1533,1480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HB3          99 LEU  HN          4.50    (#   9309:10  Preassigned    4.96, 5.96 A)
 &rst
  ixpk= 9309, nxpk= 10, iat=1533,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HG3          99 LEU  HN          4.50    (#   9310:10  Preassigned    4.11, 6.87 A)
 &rst
  ixpk= 9310, nxpk= 10, iat=1536,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HB3         101 ALA  HN          3.50    (#   9311:10  Preassigned    3.11, 3.59 A)
 &rst
  ixpk= 9311, nxpk= 10, iat=1533,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 GLU  HN          102 ALA  HN          6.00    (#   9312:10  Preassigned    2.72, 3.24 A)
 &rst
  ixpk= 9312, nxpk= 10, iat=1528,1553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 MET  HG3         103 MET  HN          3.50    (#   9313:10  Preassigned    4.00, 4.31 A)
 &rst
  ixpk= 9313, nxpk= 10, iat=1571,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ILE  QG2         107 ILE  HN          3.50    (#   9316:10  Preassigned    3.85, 4.38 A)
 &rst
  ixpk= 9316, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1629,1630,1631,
 &end
#
#  173 VAL  QG1         107 ILE  HN          4.50    (#   9317:10  Preassigned    4.01, 4.20 A)
 &rst
  ixpk= 9317, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2645,2646,2647,
 &end
#
#  106 ILE  HB          107 ILE  HN          3.50    (#   9318:10  Preassigned    2.98, 3.52 A)
 &rst
  ixpk= 9318, nxpk= 10, iat=1608,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ILE  HB          107 ILE  HN          3.50    (#   9319:10  Preassigned    2.98, 3.52 A)
 &rst
  ixpk= 9319, nxpk= 10, iat=1608,1623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 PHE  HB3         107 ILE  HN          4.50    (#   9321:10  Double         0.00, 0.00)
 &rst
  ixpk= 9321, nxpk= 10, iat=1675,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HA          107 ILE  HN          4.50    (#   9322:10  Preassigned    3.51, 4.10 A)
 &rst
  ixpk= 9322, nxpk= 10, iat=1589,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 GLY  HA2         107 ILE  HN          4.50    (#   9324:10  Preassigned    2.33, 3.56 A)
 &rst
  ixpk= 9324, nxpk= 10, iat=1582,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HN          109 VAL  HN          4.50    (#   9326:10  Preassigned    2.56, 2.87 A)
 &rst
  ixpk= 9326, nxpk= 10, iat=1670,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HB2         109 VAL  HN          3.50    (#   9327:10  Preassigned    2.19, 3.48 A)
 &rst
  ixpk= 9327, nxpk= 10, iat=1646,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HB3         109 VAL  HN          3.50    (#   9328:10  Preassigned    2.18, 2.63 A)
 &rst
  ixpk= 9328, nxpk= 10, iat=1647,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 VAL  QQG         109 VAL  HN          3.50    (#   9329:10  Preassigned    2.18, 3.94 A)
 &rst
  ixpk= 9329, nxpk= 10, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  109 VAL  HN          110 PHE  HN          3.50    (#   9330:10  Preassigned    2.56, 2.87 A)
 &rst
  ixpk= 9330, nxpk= 10, iat=1654,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HN          110 PHE  HN          4.50    (#   9331:10  Preassigned    3.88, 4.70 A)
 &rst
  ixpk= 9331, nxpk= 10, iat=1701,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HN          111 SER  HN          4.50    (#   9334:10  Preassigned    3.92, 4.60 A)
 &rst
  ixpk= 9334, nxpk= 10, iat=1654,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB2         111 SER  HN          4.50    (#   9335:10  Preassigned    3.42, 3.93 A)
 &rst
  ixpk= 9335, nxpk= 10, iat=1674,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB3         111 SER  HN          4.50    (#   9336:10  Preassigned    2.41, 3.36 A)
 &rst
  ixpk= 9336, nxpk= 10, iat=1675,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HN          113 TYR  HN          3.50    (#   9337:10  Preassigned    2.55, 2.98 A)
 &rst
  ixpk= 9337, nxpk= 10, iat=1701,1725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HB2         114 SER  HN          4.50    (#   9339:10  Preassigned    2.13, 2.67 A)
 &rst
  ixpk= 9339, nxpk= 10, iat=1729,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 LEU  HG          114 SER  HN          4.50    (#   9340:10  Preassigned    3.75, 5.16 A)
 &rst
  ixpk= 9340, nxpk= 10, iat=1860,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  113 TYR  HN          114 SER  HN          4.50    (#   9341:10  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 9341, nxpk= 10, iat=1725,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HB2         112 ARG  HN          3.50    (#   9342:10  Preassigned    4.11, 4.51 A)
 &rst
  ixpk= 9342, nxpk= 10, iat=1705,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  HN          134 LYS  HN          3.50    (#   9343:10  Preassigned    1.99, 3.05 A)
 &rst
  ixpk= 9343, nxpk= 10, iat=2023,2038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  136 LEU  QD1         135 GLU  HN          4.50    (#   9344:10  Preassigned    3.51, 5.03 A)
 &rst
  ixpk= 9344, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2084,2085,2086,
 &end
#
#  173 VAL  HA          174 ALA  HN          4.50    (#   9346:10  Preassigned    3.55, 3.58 A)
 &rst
  ixpk= 9346, nxpk= 10, iat=2641,2655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 ALA  HN           99 LEU  HN          4.50    (#   9347:10  Preassigned    3.17, 4.08 A)
 &rst
  ixpk= 9347, nxpk= 10, iat=1543,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 LEU  HB2         123 LEU  HN          4.50    (#   9354:10  Preassigned    2.67, 3.25 A)
 &rst
  ixpk= 9354, nxpk= 10, iat=1857,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  167 SER  HA          169 PHE  HN          4.50    (#   9355:10  Preassigned    4.33, 4.76 A)
 &rst
  ixpk= 9355, nxpk= 10, iat=2540,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HB2         121 GLN  HN          3.50    (#   9357:10  Preassigned    2.25, 2.93 A)
 &rst
  ixpk= 9357, nxpk= 10, iat=1826,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 GLN  HB3         121 GLN  HN          3.50    (#   9358:10  Preassigned    2.23, 2.98 A)
 &rst
  ixpk= 9358, nxpk= 10, iat=1827,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HB3         153 LEU  HN          3.50    (#   9360:10  Preassigned    2.35, 3.52 A)
 &rst
  ixpk= 9360, nxpk= 10, iat=2322,2336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  186 LYS  HB3         186 LYS  HN          3.50    (#   9362:10  Preassigned    2.28, 3.30 A)
 &rst
  ixpk= 9362, nxpk= 10, iat=2840,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  186 LYS  HB2         186 LYS  HN          3.50    (#   9363:10  Preassigned    2.63, 3.32 A)
 &rst
  ixpk= 9363, nxpk= 10, iat=2839,2835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HB3         172 PHE  HN          3.50    (#   9365:10  Preassigned    2.07, 2.32 A)
 &rst
  ixpk= 9365, nxpk= 10, iat=2624,2619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  131 LEU  HB3         129 LYS  HN          4.50    (#   9374:10  Preassigned    5.19, 5.45 A)
 &rst
  ixpk= 9374, nxpk= 10, iat=1992,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HG          141 GLN  HN          4.50    (#   9377:10  Preassigned    4.13, 4.28 A)
 &rst
  ixpk= 9377, nxpk= 10, iat=2142,2154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  186 LYS  QD          184 PHE  HN          3.50    (#   9381:10  Preassigned    3.92, 4.82 A)
 &rst
  ixpk= 9381, nxpk= 10, iat=  -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2845,2846,
 &end
#
#  132 MET  HA          134 LYS  HN          4.50    (#   9382:10  Preassigned    2.01, 3.85 A)
 &rst
  ixpk= 9382, nxpk= 10, iat=2008,2038, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  153 LEU  HN          152 LEU  HN          3.50    (#   9389:10  Preassigned    2.13, 2.65 A)
 &rst
  ixpk= 9389, nxpk= 10, iat=2336,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  171 VAL  HA          171 VAL  HN          4.50    (#   9391:10  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 9391, nxpk= 10, iat=2605,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 MET  HA           97 THR  HN          4.50    (#   9392:10  Preassigned    2.28, 2.60 A)
 &rst
  ixpk= 9392, nxpk= 10, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  QD          135 GLU  HN          4.50    (#   9394:10  Preassigned    4.80, 5.55 A)
 &rst
  ixpk= 9394, nxpk= 10, iat=  -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2048,2049,
 &end
#
#   98 GLU  HG2          99 LEU  HN          4.50    (#   9395:10  Preassigned    3.16, 5.21 A)
 &rst
  ixpk= 9395, nxpk= 10, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  QG1         174 ALA  HN          4.50    (#   9397:10  Preassigned    4.20, 5.43 A)
 &rst
  ixpk= 9397, nxpk= 10, iat=  -1,2655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2594,2595,
 &end
#
#   98 GLU  HN           99 LEU  HN          4.50    (#   9400:10  Preassigned    2.69, 3.07 A)
 &rst
  ixpk= 9400, nxpk= 10, iat=1494,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HG2          99 LEU  HN          4.50    (#   9402:10  Preassigned    3.46, 4.66 A)
 &rst
  ixpk= 9402, nxpk= 10, iat=1535,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HB3         125 LYS  HN          4.50    (#   9406:10  Preassigned    2.28, 2.59 A)
 &rst
  ixpk= 9406, nxpk= 10, iat=1891,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  HA          166 PHE  HN          3.50    (#   9407:10  Preassigned    2.75, 2.83 A)
 &rst
  ixpk= 9407, nxpk= 10, iat=2520,2518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  166 PHE  QB          166 PHE  HN          3.50    (#   9408:10  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 9408, nxpk= 10, iat=  -1,2518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2522,2523,
 &end
#
#  122 THR  HA          123 LEU  HN          3.50    (#   9419:10  Preassigned    2.44, 2.65 A)
 &rst
  ixpk= 9419, nxpk= 10, iat=1841,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 LEU  HA          123 LEU  HN          4.50    (#   9420:10  Preassigned    2.88, 2.94 A)
 &rst
  ixpk= 9420, nxpk= 10, iat=1855,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  HA          123 LEU  HN          6.00    (#   9421:10  Preassigned    4.15, 4.39 A)
 &rst
  ixpk= 9421, nxpk= 10, iat=2492,1853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 MET  QG          102 ALA  HN          4.50    (#   9422:10  Preassigned    4.70, 5.50 A)
 &rst
  ixpk= 9422, nxpk= 10, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1470,1471,
 &end
#
#  103 MET  HG3         102 ALA  HN          4.50    (#   9423:10  Preassigned    4.70, 5.50 A)
 &rst
  ixpk= 9423, nxpk= 10, iat=1571,1553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 LEU  HA          124 THR  HN          3.50    (#   9424:10  Preassigned    2.07, 2.15 A)
 &rst
  ixpk= 9424, nxpk= 10, iat=1855,1872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 LEU  HA          124 THR  HN          3.50    (#   9425:10  Preassigned    2.07, 2.15 A)
 &rst
  ixpk= 9425, nxpk= 10, iat=1874,1872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 GLN  HA          121 GLN  HN          3.50    (#   9429:10  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 9429, nxpk= 10, iat=1824,1822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HB2         173 VAL  HN          3.50    (#   9437:10  Preassigned    1.96, 3.15 A)
 &rst
  ixpk= 9437, nxpk= 10, iat=2623,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  173 VAL  HA          173 VAL  HN          3.50    (#   9439:10  Preassigned    2.78, 2.81 A)
 &rst
  ixpk= 9439, nxpk= 10, iat=2641,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HB2         109 VAL  HN          4.50    (#   9441:10  Preassigned    5.24, 5.42 A)
 &rst
  ixpk= 9441, nxpk= 10, iat=1705,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HG2         109 VAL  HN          4.50    (#   9442:10  Preassigned    4.11, 4.67 A)
 &rst
  ixpk= 9442, nxpk= 10, iat=1708,1654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  130 VAL  HN          129 LYS  HN          4.50    (#   9443:10  Preassigned    2.61, 2.80 A)
 &rst
  ixpk= 9443, nxpk= 10, iat=1971,1949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 ILE  QG1         108 ASP  HN          4.50    (#   9445:10  Preassigned    4.70, 5.80 A)
 &rst
  ixpk= 9445, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1614,1615,
 &end
#
#  173 VAL  QG2         172 PHE  HN          4.50    (#   9450:10  Preassigned    4.88, 6.24 A)
 &rst
  ixpk= 9450, nxpk= 10, iat=  -1,2619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2649,2650,2651,
 &end
#
#  100 GLU  HB2         100 GLU  HN          4.50    (#   9452:10  Preassigned    2.47, 2.79 A)
 &rst
  ixpk= 9452, nxpk= 10, iat=1532,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HB2         141 GLN  HN          3.50    (#   9455:10  Preassigned    1.89, 2.42 A)
 &rst
  ixpk= 9455, nxpk= 10, iat=2139,2154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HG3         162 ALA  HN          4.50    (#   9456:10  Preassigned    4.47, 4.90 A)
 &rst
  ixpk= 9456, nxpk= 10, iat=2481,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  186 LYS  HA          184 PHE  HN          3.50    (#   9462:10  Preassigned    2.12, 2.29 A)
 &rst
  ixpk= 9462, nxpk= 10, iat=2837,2800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  151 LYS  HN          152 LEU  HN          3.50    (#   9468:10  Preassigned    2.15, 2.39 A)
 &rst
  ixpk= 9468, nxpk= 10, iat=2295,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  190 LYS  HZ          190 LYS  HN          4.50    (#   9478:10  Preassigned    2.77, 5.17 A)
 &rst
  ixpk= 9478, nxpk= 10, iat=  -1,2897, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2913,2914,2915,
 &end
#
#  163 GLN  HA          165 ASP  HN          6.00    (#   9479:10  Preassigned    5.05, 5.41 A)
 &rst
  ixpk= 9479, nxpk= 10, iat=2475,2506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  168 GLU  HB2         165 ASP  HN          3.50    (#   9480:10  Preassigned    2.62, 3.30 A)
 &rst
  ixpk= 9480, nxpk= 10, iat=2553,2506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 THR  HN          127 GLU  HN          4.50    (#   9481:10  Preassigned    3.75, 4.05 A)
 &rst
  ixpk= 9481, nxpk= 10, iat=1872,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HA          127 GLU  HN          4.50    (#   9482:10  Preassigned    3.99, 4.25 A)
 &rst
  ixpk= 9482, nxpk= 10, iat=1888,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  161 ASP  HN          162 ALA  HN          4.50    (#   9485:10  Preassigned    2.88, 3.64 A)
 &rst
  ixpk= 9485, nxpk= 10, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  185 GLU  HG3         185 GLU  HN          4.50    (#   9489:10  Preassigned    3.58, 4.40 A)
 &rst
  ixpk= 9489, nxpk= 10, iat=2828,2820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  185 GLU  HB3         185 GLU  HN          3.50    (#   9490:10  Preassigned    2.39, 2.89 A)
 &rst
  ixpk= 9490, nxpk= 10, iat=2825,2820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  176 ILE  QD          175 ALA  HN          3.50    (#   9494:10  Double         0.00, 0.00)
 &rst
  ixpk= 9494, nxpk= 10, iat=  -1,2665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2688,2689,2690,
 &end
#
#  173 VAL  HA          175 ALA  HN          6.00    (#   9495:10  Preassigned    3.78, 3.86 A)
 &rst
  ixpk= 9495, nxpk= 10, iat=2641,2665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  167 SER  HA          168 GLU  HN          3.50    (#   9496:10  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 9496, nxpk= 10, iat=2540,2549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ILE  HA          108 ASP  HN          4.50    (#   9497:10  Preassigned    3.37, 3.52 A)
 &rst
  ixpk= 9497, nxpk= 10, iat=1625,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HB3         108 ASP  HN          3.50    (#   9498:10  Preassigned    2.14, 2.52 A)
 &rst
  ixpk= 9498, nxpk= 10, iat=1647,1642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 GLU  HN          128 LEU  HN          6.00    (#   9500:10  Preassigned    2.12, 2.27 A)
 &rst
  ixpk= 9500, nxpk= 10, iat=1915,1930, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  127 GLU  QG          128 LEU  HN          4.50    (#   9501:10  Preassigned    2.60, 4.06 A)
 &rst
  ixpk= 9501, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1922,1923,
 &end
#
#  127 GLU  QB          128 LEU  HN          4.50    (#   9502:10  Preassigned    2.17, 3.39 A)
 &rst
  ixpk= 9502, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1919,1920,
 &end
#
#  123 LEU  QQD         128 LEU  HN          3.50    (#   9503:10  Preassigned    3.18, 5.23 A)
 &rst
  ixpk= 9503, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  163 GLN  HG2         125 LYS  HN          4.50    (#   9505:10  Preassigned    4.09, 4.42 A)
 &rst
  ixpk= 9505, nxpk= 10, iat=2480,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 LEU  HG          123 LEU  HN          4.50    (#   9507:10  Preassigned    3.48, 4.47 A)
 &rst
  ixpk= 9507, nxpk= 10, iat=1860,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HA          109 VAL  HN          3.50    (#   9508:10  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 9508, nxpk= 10, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 VAL  HA          109 VAL  HN          3.50    (#   9509:10  Preassigned    2.74, 2.85 A)
 &rst
  ixpk= 9509, nxpk= 10, iat=1656,1654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HG2         107 ILE  HN          4.50    (#   9510:10  Preassigned    4.20, 4.77 A)
 &rst
  ixpk= 9510, nxpk= 10, iat=1570,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HN          164 VAL  HN          4.50    (#   9512:10  Preassigned    5.05, 5.44 A)
 &rst
  ixpk= 9512, nxpk= 10, iat=1886,2490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  162 ALA  HA          160 GLY  HN          6.00    (#   9515:10  Preassigned    6.08, 6.88 A)
 &rst
  ixpk= 9515, nxpk= 10, iat=2465,2444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  158 ALA  QB          160 GLY  HN          4.50    (#   9516:10  Preassigned    5.13, 5.81 A)
 &rst
  ixpk= 9516, nxpk= 10, iat=  -1,2444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2424,2425,2426,
 &end
#
#  114 SER  HN          115 GLY  HN          4.50    (#   9518:10  Preassigned    2.60, 2.78 A)
 &rst
  ixpk= 9518, nxpk= 10, iat=1746,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  142 SER  HA          143 GLY  HN          4.50    (#   9519:10  Preassigned    4.02, 4.05 A)
 &rst
  ixpk= 9519, nxpk= 10, iat=2173,2182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HA          115 GLY  HN          3.50    (#   9520:10  Preassigned    2.90, 3.43 A)
 &rst
  ixpk= 9520, nxpk= 10, iat=1748,1757, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  140 LEU  QQD         143 GLY  HN          6.00    (#   9522:10  Preassigned    3.34, 5.91 A)
 &rst
  ixpk= 9522, nxpk= 10, iat=  -1,2182, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  165 ASP  HA          122 THR  HN          4.50    (#   9523:10  Unique         4.47, 4.93 A)
 &rst
  ixpk= 9523, nxpk= 10, iat=2508,1839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  QB          122 THR  HN          4.50    (#   9524:10  Preassigned    4.63, 5.93 A)
 &rst
  ixpk= 9524, nxpk= 10, iat=  -1,1839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2477,2478,
 &end
#
#  179 ALA  HA          180 SER  HN          4.50    (#   9525:10  Preassigned    3.29, 3.49 A)
 &rst
  ixpk= 9525, nxpk= 10, iat=2721,2729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 THR  HB          124 THR  HN          4.50    (#   9527:10  Preassigned    3.36, 4.63 A)
 &rst
  ixpk= 9527, nxpk= 10, iat=1843,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  186 LYS  HA          187 THR  HN          3.50    (#   9528:10  Preassigned    2.53, 3.27 A)
 &rst
  ixpk= 9528, nxpk= 10, iat=2837,2857, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HB3         167 SER  HN          6.00    (#   9530:10  Preassigned    4.76, 5.00 A)
 &rst
  ixpk= 9530, nxpk= 10, iat=2569,2538, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  167 SER  HA          167 SER  HN          3.50    (#   9531:10  Preassigned    2.86, 2.89 A)
 &rst
  ixpk= 9531, nxpk= 10, iat=2540,2538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  170 ILE  QG2         167 SER  HN          4.50    (#   9532:10  Preassigned    4.77, 5.71 A)
 &rst
  ixpk= 9532, nxpk= 10, iat=  -1,2538, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2590,2591,2592,
 &end
#
#  107 ILE  HA          111 SER  HN          4.50    (#   9534:10  Unique         3.73, 4.85 A)
 &rst
  ixpk= 9534, nxpk= 10, iat=1625,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 THR  HA          120 THR  HN          3.50    (#   9536:10  Preassigned    2.63, 2.80 A)
 &rst
  ixpk= 9536, nxpk= 10, iat=1810,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 THR  HB          120 THR  HN          3.50    (#   9537:10  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 9537, nxpk= 10, iat=1812,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 GLY  HA3         103 MET  HN          6.00    (#   9538:10  Preassigned    4.29, 5.24 A)
 &rst
  ixpk= 9538, nxpk= 10, iat=1583,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  136 LEU  HN          133 GLU  HN          4.50    (#   9542:10  Preassigned    3.48, 5.34 A)
 &rst
  ixpk= 9542, nxpk= 10, iat=2075,2023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 GLY  HA2         119 SER  HN          4.50    (#   9543:10  Preassigned    3.46, 3.70 A)
 &rst
  ixpk= 9543, nxpk= 10, iat=1792,1797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  QG2         179 ALA  HN          4.50    (#   9544:10  Double         0.00, 0.00)
 &rst
  ixpk= 9544, nxpk= 10, iat=  -1,2719, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2681,2682,2683,
 &end
#
#   97 THR  HB           99 LEU  HN          4.50    (#   9545:10  Preassigned    3.36, 4.73 A)
 &rst
  ixpk= 9545, nxpk= 10, iat=1484,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  HN          169 PHE  HN          4.50    (#   9546:10  Preassigned    2.69, 2.88 A)
 &rst
  ixpk= 9546, nxpk= 10, iat=2584,2564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  147 ASP  HA          150 ASP  HN          6.00    (#   9548:10  Preassigned    3.90, 4.99 A)
 &rst
  ixpk= 9548, nxpk= 10, iat=2247,2283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  150 ASP  HA          150 ASP  HN          3.50    (#   9549:10  Double         0.00, 0.00)
 &rst
  ixpk= 9549, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HN          154 LYS  HN          4.50    (#   9553:10  Preassigned    3.99, 4.49 A)
 &rst
  ixpk= 9553, nxpk= 10, iat=2317,2355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  HN          170 ILE  HN          6.00    (#   9554:10  Preassigned    5.80, 6.03 A)
 &rst
  ixpk= 9554, nxpk= 10, iat=2655,2584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 ILE  HA          170 ILE  HN          4.50    (#   9556:10  Preassigned    5.23, 5.76 A)
 &rst
  ixpk= 9556, nxpk= 10, iat=1625,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  188 GLY  QA          184 PHE  HN          3.50    (#   9560:10  Double         0.00, 0.00)
 &rst
  ixpk= 9560, nxpk= 10, iat=  -1,2800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2873,2874,
 &end
#
#  176 ILE  QG2         177 THR  HN          3.50    (#   9564:10  Preassigned    3.37, 4.56 A)
 &rst
  ixpk= 9564, nxpk= 10, iat=  -1,2694, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2681,2682,2683,
 &end
#
#  173 VAL  QG1         177 THR  HN          4.50    (#   9565:10  Preassigned    4.23, 5.28 A)
 &rst
  ixpk= 9565, nxpk= 10, iat=  -1,2694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2645,2646,2647,
 &end
#
#  158 ALA  HA          161 ASP  HN          4.50    (#   9567:10  Preassigned    4.52, 5.07 A)
 &rst
  ixpk= 9567, nxpk= 10, iat=2422,2451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 GLN  HE21        141 GLN  HN          4.50    (#   9568:10  Preassigned    3.53, 4.16 A)
 &rst
  ixpk= 9568, nxpk= 10, iat=2166,2154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  HN          173 VAL  HN          4.50    (#   9570:10  Preassigned    2.76, 2.92 A)
 &rst
  ixpk= 9570, nxpk= 10, iat=2655,2639, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HG2         173 VAL  HN          3.50    (#   9572:10                 0.00, 0.00)
 &rst
  ixpk= 9572, nxpk= 10, iat=2685,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HN          112 ARG  HN          4.50    (#   9573:10  Double         0.00, 0.00)
 &rst
  ixpk= 9573, nxpk= 10, iat=1725,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  144 LYS  HA          146 LYS  HN          3.50    (#   9574:10  Preassigned    2.76, 3.55 A)
 &rst
  ixpk= 9574, nxpk= 10, iat=2191,2223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 PHE  HA          110 PHE  HN          3.50    (#   9577:10  Preassigned    2.18, 2.63 A)
 &rst
  ixpk= 9577, nxpk= 10, iat=1672,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ARG  HG2         110 PHE  HN          4.50    (#   9578:10  Preassigned    4.38, 5.61 A)
 &rst
  ixpk= 9578, nxpk= 10, iat=1708,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  HA          170 ILE  HN          4.50    (#   9579:10  Preassigned    5.23, 5.76 A)
 &rst
  ixpk= 9579, nxpk= 10, iat=1625,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  169 PHE  HB2         170 ILE  HN          4.50    (#   9580:10  Preassigned    3.78, 4.04 A)
 &rst
  ixpk= 9580, nxpk= 10, iat=2568,2584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  QB          170 ILE  HN          6.00    (#   9582:10  Unique         5.06, 5.90 A)
 &rst
  ixpk= 9582, nxpk= 10, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2522,2523,
 &end
#
#  172 PHE  HB2         173 VAL  HN          3.50    (#   9586:10  Preassigned    1.96, 3.15 A)
 &rst
  ixpk= 9586, nxpk= 10, iat=2623,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  180 SER  HN          176 ILE  HN          6.00    (#   9587:10  Preassigned    5.78, 6.07 A)
 &rst
  ixpk= 9587, nxpk= 10, iat=2729,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  173 VAL  HN          176 ILE  HN          6.00    (#   9589:10  Preassigned    4.79, 4.89 A)
 &rst
  ixpk= 9589, nxpk= 10, iat=2639,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  174 ALA  HN          176 ILE  HN          6.00    (#   9590:10  Preassigned    4.16, 4.42 A)
 &rst
  ixpk= 9590, nxpk= 10, iat=2655,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  173 VAL  HA          176 ILE  HN          6.00    (#   9592:10  Preassigned    3.07, 3.23 A)
 &rst
  ixpk= 9592, nxpk= 10, iat=2641,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  172 PHE  HB2         176 ILE  HN          6.00    (#   9593:10  Preassigned    5.81, 6.20 A)
 &rst
  ixpk= 9593, nxpk= 10, iat=2623,2675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  151 LYS  HN          150 ASP  HN          3.50    (#   9595:10  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 9595, nxpk= 10, iat=2295,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  132 MET  HN          131 LEU  HN          4.50    (#   9596:10  Preassigned    2.23, 3.11 A)
 &rst
  ixpk= 9596, nxpk= 10, iat=2006,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  130 VAL  HN          131 LEU  HN          4.50    (#   9597:10  Preassigned    1.97, 2.30 A)
 &rst
  ixpk= 9597, nxpk= 10, iat=1971,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HG3         131 LEU  HN          4.50    (#   9599:10  Preassigned    4.54, 5.00 A)
 &rst
  ixpk= 9599, nxpk= 10, iat=2046,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HG2         131 LEU  HN          4.50    (#   9600:10  Preassigned    4.62, 4.99 A)
 &rst
  ixpk= 9600, nxpk= 10, iat=2045,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HA          117 GLU  HN          3.50    (#   9601:10  Preassigned    2.55, 2.88 A)
 &rst
  ixpk= 9601, nxpk= 10, iat=1777,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  HA          117 GLU  HN          3.50    (#   9602:10  Preassigned    2.15, 3.22 A)
 &rst
  ixpk= 9602, nxpk= 10, iat=1766,1775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  145 ASP  HN          146 LYS  HN          3.50    (#   9603:10  Preassigned    2.20, 2.82 A)
 &rst
  ixpk= 9603, nxpk= 10, iat=2211,2223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  136 LEU  HA          136 LEU  HN          6.00    (#   9604:10  Preassigned    2.05, 2.73 A)
 &rst
  ixpk= 9604, nxpk= 10, iat=2077,2075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 ILE  HA          107 ILE  HN          4.50    (#   9605:10  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 9605, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  HA          107 ILE  HN          4.50    (#   9606:10  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 9606, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB2         107 ILE  HN          6.00    (#   9607:10  Preassigned    5.37, 6.08 A)
 &rst
  ixpk= 9607, nxpk= 10, iat=1674,1623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  184 PHE  QB          186 LYS  HN          3.50    (#   9608:10  Preassigned    2.79, 4.36 A)
 &rst
  ixpk= 9608, nxpk= 10, iat=  -1,2835, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2804,2805,
 &end
#
#  154 LYS  HN          155 ASP  HN          3.50    (#   9609:10  Preassigned    2.77, 3.15 A)
 &rst
  ixpk= 9609, nxpk= 10, iat=2355,2377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  HN          155 ASP  HN          4.50    (#   9610:10  Preassigned    4.27, 4.44 A)
 &rst
  ixpk= 9610, nxpk= 10, iat=2408,2377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  162 ALA  HA          163 GLN  HN          3.50    (#   9611:10  Preassigned    3.44, 3.54 A)
 &rst
  ixpk= 9611, nxpk= 10, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  132 MET  HG2         131 LEU  HN          3.50    (#   9613:10  Preassigned    3.17, 4.08 A)
 &rst
  ixpk= 9613, nxpk= 10, iat=2013,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 THR  QG          100 GLU  HN          3.50    (#   9614:10  Preassigned    3.34, 4.75 A)
 &rst
  ixpk= 9614, nxpk= 10, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1486,1487,1488,
 &end
#
#  165 ASP  HB3         165 ASP  HN          4.50    (#   9615:10  Preassigned    2.27, 2.93 A)
 &rst
  ixpk= 9615, nxpk= 10, iat=2511,2506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  HN          176 ILE  HN          4.50    (#   9616:10  Preassigned    2.51, 2.69 A)
 &rst
  ixpk= 9616, nxpk= 10, iat=2694,2675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 GLY  HN          120 THR  HN          4.50    (#   9617:10  Preassigned    4.81, 6.77 A)
 &rst
  ixpk= 9617, nxpk= 10, iat=1790,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  164 VAL  QG2         163 GLN  HN          4.50    (#   9618:10  Preassigned    4.64, 5.93 A)
 &rst
  ixpk= 9618, nxpk= 10, iat=  -1,2473, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  100 GLU  HG3         101 ALA  HN          4.50    (#   9620:10  Preassigned    3.35, 4.49 A)
 &rst
  ixpk= 9620, nxpk= 10, iat=1536,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HG3         125 LYS  HN          4.50    (#   9621:10  Preassigned    4.32, 4.97 A)
 &rst
  ixpk= 9621, nxpk= 10, iat=2481,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HG3         170 ILE  HN          6.00    (#   9622:10  Preassigned    4.89, 5.53 A)
 &rst
  ixpk= 9622, nxpk= 10, iat=2557,2584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 LEU  QD1         150 ASP  HN          4.50    (#   9627:10  Preassigned    5.33, 6.64 A)
 &rst
  ixpk= 9627, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1939,1940,1941,
 &end
#
#  123 LEU  QQD         124 THR  HN          4.50    (#   9628:10  Preassigned    3.90, 5.74 A)
 &rst
  ixpk= 9628, nxpk= 10, iat=  -1,1872, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  123 LEU  HB2         124 THR  HN          4.50    (#   9629:10  Preassigned    2.73, 3.80 A)
 &rst
  ixpk= 9629, nxpk= 10, iat=1857,1872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  167 SER  HA          171 VAL  HN          4.50    (#   9631:10  Preassigned    4.06, 4.40 A)
 &rst
  ixpk= 9631, nxpk= 10, iat=2540,2603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  QG          127 GLU  HN          3.50    (#   9632:10  Preassigned    2.33, 4.00 A)
 &rst
  ixpk= 9632, nxpk= 10, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1922,1923,
 &end
#
#  127 GLU  QB          127 GLU  HN          4.50    (#   9633:10  Preassigned    2.12, 2.72 A)
 &rst
  ixpk= 9633, nxpk= 10, iat=  -1,1915, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1919,1920,
 &end
#
#  106 ILE  QD          103 MET  HN          4.50    (#   9637:10  Preassigned    3.82, 5.15 A)
 &rst
  ixpk= 9637, nxpk= 10, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1617,1618,1619,
 &end
#
#  179 ALA  HA          178 SER  HN          6.00    (#   9641:10  Preassigned    4.99, 5.24 A)
 &rst
  ixpk= 9641, nxpk= 10, iat=2721,2708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  162 ALA  HA          162 ALA  HN          4.50    (#   9644:10  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 9644, nxpk= 10, iat=2465,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 GLY  QA          128 LEU  HN          4.50    (#   9645:10  Preassigned    4.57, 4.88 A)
 &rst
  ixpk= 9645, nxpk= 10, iat=  -1,1930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1910,1911,
 &end
#
#  150 ASP  HA          150 ASP  HN          4.50    (#   9648:10  Preassigned    2.14, 2.62 A)
 &rst
  ixpk= 9648, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 SER  QB          117 GLU  HN          3.50    (#   9649:10  Preassigned    2.32, 3.54 A)
 &rst
  ixpk= 9649, nxpk= 10, iat=  -1,1775, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1768,1769,
 &end
#
#  123 LEU  HG          114 SER  HN          4.50    (#   9659:10  Preassigned    3.75, 5.16 A)
 &rst
  ixpk= 9659, nxpk= 10, iat=1860,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  QG2         108 ASP  HN          4.50    (#   9666:10  Preassigned    3.12, 4.27 A)
 &rst
  ixpk= 9666, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1629,1630,1631,
 &end
#
#  153 LEU  QD1         164 VAL  HN          3.50    (#   9667:10  Unique         2.57, 4.62 A)
 &rst
  ixpk= 9667, nxpk= 10, iat=  -1,2490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  178 SER  HA          178 SER  HN          4.50    (#   9671:10  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 9671, nxpk= 10, iat=2710,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  QD          107 ILE  HN          4.50    (#   9672:10  Preassigned    3.44, 4.55 A)
 &rst
  ixpk= 9672, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2597,2598,2599,
 &end
#
#  170 ILE  QD          107 ILE  HN          4.50    (#   9673:10  Preassigned    3.44, 4.55 A)
 &rst
  ixpk= 9673, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2597,2598,2599,
 &end
#
#  187 THR  HA          188 GLY  HN          4.50    (#   9677:10  Preassigned    2.19, 3.41 A)
 &rst
  ixpk= 9677, nxpk= 10, iat=2859,2871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  188 GLY  QA          188 GLY  HN          4.50    (#   9678:10  Preassigned    2.31, 2.69 A)
 &rst
  ixpk= 9678, nxpk= 10, iat=  -1,2871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2873,2874,
 &end
#
#  189 LEU  HN          184 PHE  HN          4.50    (#   9679:10  Double         0.00, 0.00)
 &rst
  ixpk= 9679, nxpk= 10, iat=2878,2800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 GLY  HN          105 MET  HN          4.50    (#   9680:10  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 9680, nxpk= 10, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  HA          127 GLU  HN          4.50    (#   9683:10  Preassigned    2.90, 2.95 A)
 &rst
  ixpk= 9683, nxpk= 10, iat=1917,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 THR  HB          120 THR  HN          3.50    (#   9687:10  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 9687, nxpk= 10, iat=1812,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  174 ALA  HA          178 SER  HN          4.50    (#   9691:10  Preassigned    4.64, 4.83 A)
 &rst
  ixpk= 9691, nxpk= 10, iat=2657,2708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  172 PHE  HA          173 VAL  HN          3.50    (#   9692:10  Preassigned    3.50, 3.55 A)
 &rst
  ixpk= 9692, nxpk= 10, iat=2621,2639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  148 ALA  QB          149 VAL  HN          4.50    (#   9695:10  Preassigned    3.28, 4.14 A)
 &rst
  ixpk= 9695, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2261,2262,2263,
 &end
#
#  154 LYS  HG2         154 LYS  HN          3.50    (#   9696:10  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 9696, nxpk= 10, iat=2362,2355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 LEU  HG          127 GLU  HN          4.50    (#   9697:10  Preassigned    5.25, 5.75 A)
 &rst
  ixpk= 9697, nxpk= 10, iat=1860,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HA          121 GLN  HN          4.50    (#   9704:10  Double         0.00, 0.00)
 &rst
  ixpk= 9704, nxpk= 10, iat=1777,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HN           12 ILE  HA          6.00    (#     24:20  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 24, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#   27 THR  HA           27 THR  HB          4.50    (#     68:20  Preassigned    2.27, 2.40 A)
 &rst
  ixpk= 68, nxpk= 20, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HA           27 THR  HB          6.00    (#     69:20  Preassigned    3.11, 3.43 A)
 &rst
  ixpk= 69, nxpk= 20, iat=1016, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HA           27 THR  HB          6.00    (#     70:20  Preassigned    3.11, 3.43 A)
 &rst
  ixpk= 70, nxpk= 20, iat=1016, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HN           76 VAL  HA          6.00    (#     94:20  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 94, nxpk= 20, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          12 ILE  HA          4.50    (#    101:20  Preassigned    2.29, 3.76 A)
 &rst
  ixpk= 101, nxpk= 20, iat=1115, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  QE           15 PHE  HA          6.00    (#    117:20  Preassigned    4.41, 5.23 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 221, 225,
 &end
#
#   74 PHE  HE1          15 PHE  HA          6.00    (#    118:20  Preassigned    5.03, 5.38 A)
 &rst
  ixpk= 118, nxpk= 20, iat=1115, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          75 ILE  HA          6.00    (#    120:20  Preassigned    3.66, 4.30 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          74 PHE  HA          4.50    (#    136:20  Preassigned    5.54, 5.80 A)
 &rst
  ixpk= 136, nxpk= 20, iat=1115,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 THR  HB           29 THR  HA          4.50    (#    141:20  Preassigned    2.46, 2.48 A)
 &rst
  ixpk= 141, nxpk= 20, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HA           29 THR  HA          4.50    (#    142:20  Preassigned    2.20, 2.43 A)
 &rst
  ixpk= 142, nxpk= 20, iat=1016, 415, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 SER  HB2          27 THR  HB          6.00    (#    204:20  Double Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat= 342, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HG2          27 THR  HB          6.00    (#    206:20  Preassigned    2.62, 3.99 A)
 &rst
  ixpk= 206, nxpk= 20, iat=1021, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HG3          27 THR  HB          6.00    (#    208:20  Preassigned    4.28, 5.19 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1022, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  QB           27 THR  HB          4.50    (#    209:20  Preassigned    2.60, 3.48 A)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1018,1019,
 &end
#
#    2 THR  HA            2 THR  HB          4.50    (#    229:20  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  23,  25, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HB3          92 THR  HB          6.00    (#    238:20  Unique         2.44, 5.78 A)
 &rst
  ixpk= 238, nxpk= 20, iat=1286,1402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 PHE  QB           92 THR  HB          6.00    (#    239:20  Double Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1345,1346,
 &end
#
#   79 ALA  HA           82 THR  HB          3.50    (#    261:20  Preassigned    2.38, 3.76 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1198,1239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 THR  HA           82 THR  HB          4.50    (#    263:20  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 263, nxpk= 20, iat=1237,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HB           82 THR  HB          6.00    (#    264:20  Preassigned    3.99, 5.26 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA  QB           82 THR  HB          6.00    (#    266:20  Preassigned    4.31, 6.11 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1200,1201,1202,
 &end
#
#   17 ARG  HA           14 VAL  HA          6.00    (#    267:20  Preassigned    4.27, 5.05 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 244, 197, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HD2          14 VAL  HA          4.50    (#    271:20  Preassigned    2.33, 3.30 A)
 &rst
  ixpk= 271, nxpk= 20, iat= 252, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HB           14 VAL  HA          4.50    (#    272:20  Preassigned    2.56, 2.88 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 199, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HB2          14 VAL  HA          4.50    (#    273:20  Preassigned    2.43, 3.46 A)
 &rst
  ixpk= 273, nxpk= 20, iat= 246, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HB3          14 VAL  HA          4.50    (#    274:20  Preassigned    3.95, 4.60 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 247, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HG2          14 VAL  HA          4.50    (#    275:20  Preassigned    2.02, 3.30 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 249, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  HB           82 THR  HA          4.50    (#    278:20  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 278, nxpk= 20, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HA           42 PRO  HA          6.00    (#    280:20  Preassigned    2.42, 4.50 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 566, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA  HA           76 VAL  HA          6.00    (#    281:20  Preassigned    5.03, 5.37 A)
 &rst
  ixpk= 281, nxpk= 20, iat=1198,1146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HD2          42 PRO  HA          6.00    (#    282:20  Preassigned    3.51, 3.67 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 636, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 GLU  QG           42 PRO  HA          6.00    (#    289:20  Double Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 571, 572,
 &end
#
#   14 VAL  HB           11 ILE  HA          4.50    (#    290:20  Preassigned    2.53, 2.91 A)
 &rst
  ixpk= 290, nxpk= 20, iat= 199, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HB           78 VAL  HA          3.50    (#    294:20  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 294, nxpk= 20, iat=1220,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 VAL  HB           78 VAL  HA          4.50    (#    296:20  Preassigned    2.93, 2.97 A)
 &rst
  ixpk= 296, nxpk= 20, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 ALA  QB           76 VAL  HA          4.50    (#    299:20  Preassigned    2.10, 3.56 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1200,1201,1202,
 &end
#
#   42 PRO  HD3          42 PRO  HA          6.00    (#    306:20  Preassigned    2.29, 2.94 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 PHE  HB2          12 ILE  HA          4.50    (#    307:20  Preassigned    3.13, 3.82 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 215, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB3          12 ILE  HA          4.50    (#    310:20  Preassigned    2.09, 2.61 A)
 &rst
  ixpk= 310, nxpk= 20, iat= 216, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB2          42 PRO  HA          4.50    (#    312:20  Preassigned    2.35, 2.76 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 642, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HB           54 VAL  HA          4.50    (#    313:20  Preassigned    2.97, 3.01 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 812, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB3          42 PRO  HA          4.50    (#    316:20  Preassigned    2.32, 2.63 A)
 &rst
  ixpk= 316, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 LEU  HB2          54 VAL  HA          4.50    (#    317:20  Preassigned    2.50, 3.73 A)
 &rst
  ixpk= 317, nxpk= 20, iat= 862, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HB2          42 PRO  HA          4.50    (#    318:20  Preassigned    3.75, 5.28 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 680, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HB           12 ILE  HA          3.50    (#    319:20  Preassigned    2.99, 3.00 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 LEU  HG           54 VAL  HA          4.50    (#    320:20  Preassigned    2.69, 4.01 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 865, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HG2          54 VAL  HA          6.00    (#    326:20  Double Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat= 554, 810, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 GLU  HB3          24 SER  HB3         4.50    (#    338:20  Double Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat= 321, 343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 SER  HA           24 SER  HB2         3.50    (#    342:20  Preassigned    2.48, 2.91 A)
 &rst
  ixpk= 342, nxpk= 20, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  HA           21 SER  QB          3.50    (#    343:20  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 309, 310,
 &end
#
#   50 ASP  HB3          47 SER  QB          6.00    (#    354:20  Preassigned    4.74, 6.64 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   22 GLU  HB2          21 SER  QB          4.50    (#    360:20  Preassigned    3.64, 5.44 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 309, 310,
 &end
#
#   26 GLN  HB3          19 SER  HB2         6.00    (#    361:20  Double Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat= 368, 291, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 GLU  HB3          21 SER  QB          4.50    (#    362:20  Double Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 309, 310,
 &end
#
#   19 SER  HA           19 SER  HB2         4.50    (#    368:20  Preassigned    2.26, 2.51 A)
 &rst
  ixpk= 368, nxpk= 20, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HA           19 SER  HB3         6.00    (#    369:20  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 289, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 SER  HA           15 PHE  HA          4.50    (#    370:20  Double Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat= 289, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 SER  HB2          19 SER  HB2         4.50    (#    371:20  Preassigned    3.85, 5.26 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 342, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 PHE  QB           19 SER  HB2         6.00    (#    387:20  Unique         3.97, 6.97 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1063,1064,
 &end
#
#   26 GLN  QG           19 SER  HB2         6.00    (#    388:20  Preassigned    2.58, 4.37 A)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 371,
 &end
#
#   15 PHE  HB2          15 PHE  HA          4.50    (#    402:20  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB3          15 PHE  HA          4.50    (#    403:20  Preassigned    2.26, 2.79 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 216, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 PHE  HB3          75 ILE  HA          6.00    (#    405:20  Preassigned    6.16, 6.54 A)
 &rst
  ixpk= 405, nxpk= 20, iat= 216,1127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 TYR  HB3          15 PHE  HA          6.00    (#    408:20  Preassigned    2.15, 3.77 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 271, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ILE  HB           81 ILE  HA          4.50    (#    410:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 410, nxpk= 20, iat=1220,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HB2          15 PHE  HA          6.00    (#    411:20  Preassigned    4.55, 4.98 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 246, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 VAL  HB           75 ILE  HA          4.50    (#    413:20  Preassigned    2.12, 2.56 A)
 &rst
  ixpk= 413, nxpk= 20, iat=1184,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  HB           75 ILE  HA          4.50    (#    415:20  Preassigned    2.47, 2.58 A)
 &rst
  ixpk= 415, nxpk= 20, iat=1129,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ALA  QB           81 ILE  HA          3.50    (#    416:20  Preassigned    2.12, 3.17 A)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1264,1265,1266,
 &end
#
#   71 PHE  QB           71 PHE  HA          4.50    (#    426:20  Preassigned    2.25, 2.43 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1063,1064,
 &end
#
#   89 PHE  QB           92 THR  HA          6.00    (#    427:20  Unique         2.27, 5.23 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1345,1346,
 &end
#
#   26 GLN  QG           25 THR  HA          6.00    (#    429:20  Preassigned    3.13, 4.88 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 371,
 &end
#
#   91 LYS  QD           92 THR  HA          6.00    (#    435:20  Double Ambig)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1386,1387,
 &end
#
#   75 ILE  HB           71 PHE  HA          6.00    (#    436:20  Preassigned    4.55, 4.86 A)
 &rst
  ixpk= 436, nxpk= 20, iat=1129,1061, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 PHE  HB2          77 PHE  HA          3.50    (#    439:20  Preassigned    2.21, 2.55 A)
 &rst
  ixpk= 439, nxpk= 20, iat=1164,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 PHE  HB3          77 PHE  HA          3.50    (#    441:20  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1165,1162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HB2          30 LYS  HA          3.50    (#    445:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 475, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  HB3          30 LYS  HA          3.50    (#    448:20  Preassigned    2.51, 2.94 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 432, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LYS  QG           30 LYS  HA          3.50    (#    449:20  Preassigned    2.42, 2.79 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 434, 435,
 &end
#
#   80 ALA  QB           77 PHE  HA          3.50    (#    450:20  Preassigned    3.08, 4.25 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1210,1211,1212,
 &end
#
#   74 PHE  HB2          74 PHE  HA          3.50    (#    452:20  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 452, nxpk= 20, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HB3          74 PHE  HA          3.50    (#    453:20  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1110,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HG3          29 THR  HA          6.00    (#    457:20  Preassigned    2.72, 3.51 A)
 &rst
  ixpk= 457, nxpk= 20, iat=1022, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  QG           29 THR  HA          6.00    (#    458:20  Preassigned    6.30, 6.58 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 434, 435,
 &end
#
#   27 THR  QG           27 THR  HB          4.50    (#    481:20  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   92 THR  QG           92 THR  HB          3.50    (#    492:20  Preassigned    2.33, 2.65 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1404,1405,1406,
 &end
#
#   25 THR  QG           25 THR  HB          3.50    (#    495:20  Preassigned    2.36, 2.66 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 355, 356, 357,
 &end
#
#   82 THR  QG           82 THR  HB          4.50    (#    504:20  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1241,1242,1243,
 &end
#
#   14 VAL  QQG          14 VAL  HA          3.50    (#    508:20  Preassigned    2.21, 3.24 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   76 VAL  QG1          76 VAL  HA          3.50    (#    513:20  Preassigned    2.33, 3.03 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1150,1151,1152,
 &end
#
#   76 VAL  QG2          76 VAL  HA          3.50    (#    515:20  Preassigned    2.41, 3.26 A)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1154,1155,1156,
 &end
#
#   78 VAL  QG2          78 VAL  HA          3.50    (#    516:20  Preassigned    2.13, 2.83 A)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1190,1191,1192,
 &end
#
#   54 VAL  QG1          54 VAL  HA          3.50    (#    521:20  Preassigned    2.48, 3.27 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 814, 815, 816,
 &end
#
#   45 LEU  QQD          42 PRO  HA          4.50    (#    522:20  Preassigned    3.68, 6.55 A)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   82 THR  QG           82 THR  HA          3.50    (#    523:20  Preassigned    2.53, 3.35 A)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   12 ILE  QG2          12 ILE  HA          3.50    (#    524:20  Preassigned    2.75, 3.47 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 170, 171, 172,
 &end
#
#   75 ILE  QG2          12 ILE  HA          4.50    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1131,1132,1133,
 &end
#
#   29 THR  QG           24 SER  HB3         4.50    (#    540:20  Double Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 419, 420, 421,
 &end
#
#   27 THR  QG           24 SER  HB3         3.50    (#    541:20  Unique         2.57, 5.17 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 386, 387, 388,
 &end
#
#   27 THR  QG           24 SER  HB2         4.50    (#    542:20  Double Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   54 VAL  QG2          47 SER  QB          4.50    (#    545:20  Double Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 818, 819, 820,
 igr2= 716, 717,
 &end
#
#   81 ILE  QD           81 ILE  HA          3.50    (#    549:20  Double Ambig)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1229,1230,1231,
 &end
#
#   28 LEU  QQD          19 SER  HB2         4.50    (#    551:20  Preassigned    3.13, 5.85 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   28 LEU  QQD          19 SER  HB3         4.50    (#    552:20  Preassigned    2.82, 5.83 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   14 VAL  QQG          15 PHE  HA          4.50    (#    553:20  Preassigned    3.59, 5.85 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   11 ILE  QG1          75 ILE  HA          6.00    (#    554:20  Double Ambig)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 155, 156,
 &end
#
#   81 ILE  QG2           81 ILE  HA         3.50    (#    555:20  Double Ambig)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1222,1223,1224,
 &end
#
#   75 ILE  QG1          75 ILE  HA          4.50    (#    556:20  Preassigned    2.12, 3.15 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1135,1136,
 &end
#
#   36 LEU  QD2          15 PHE  HA          4.50    (#    557:20  Preassigned    2.40, 5.11 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 541, 542, 543,
 &end
#
#   75 ILE  QD           75 ILE  HA          3.50    (#    558:20  Preassigned    3.46, 4.63 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1138,1139,1140,
 &end
#
#   25 THR  QG           25 THR  HA          4.50    (#    561:20  Preassigned    2.48, 3.34 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 355, 356, 357,
 &end
#
#   69 VAL  QG1          71 PHE  HA          6.00    (#    563:20  Double Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1037,1038,1039,
 &end
#
#   92 THR  QG           92 THR  HA          4.50    (#    564:20  Preassigned    2.36, 3.61 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1404,1405,1406,
 &end
#
#   75 ILE  QG2          71 PHE  HA          6.00    (#    568:20  Preassigned    5.26, 6.59 A)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1131,1132,1133,
 &end
#
#   28 LEU  QQD          71 PHE  HA          6.00    (#    569:20  Preassigned    5.26, 6.87 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   58 LEU  QD1          30 LYS  HA          3.50    (#    572:20  Preassigned    4.62, 6.00 A)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   81 ILE  QD           77 PHE  HA          3.50    (#    575:20  Double Ambig)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1229,1230,1231,
 &end
#
#   33 LEU  QD2          30 LYS  HA          3.50    (#    576:20  Double Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 484, 485, 486,
 &end
#
#   33 LEU  QD2          30 LYS  HA          3.50    (#    577:20  Preassigned    2.25, 3.25 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 484, 485, 486,
 &end
#
#   29 THR  QG           29 THR  HA          4.50    (#    578:20  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 419, 420, 421,
 &end
#
#   69 VAL  QG1          74 PHE  HA          3.50    (#    580:20  Preassigned    4.71, 6.44 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1037,1038,1039,
 &end
#
#   69 VAL  QG2          74 PHE  HA          4.50    (#    582:20  Preassigned    4.48, 5.38 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#   18 TYR  HN           18 TYR  HA          6.00    (#    635:20  Preassigned    2.48, 2.70 A)
 &rst
  ixpk= 635, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 PHE  QE           74 PHE  HA          4.50    (#    636:20  Preassigned    4.05, 4.56 A)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 221, 225,
 &end
#
#   15 PHE  QE           27 THR  HA          6.00    (#    644:20  Preassigned    3.39, 4.60 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 221, 225,
 &end
#
#   15 PHE  HZ           27 THR  HA          6.00    (#    647:20  Preassigned    1.96, 3.31 A)
 &rst
  ixpk= 647, nxpk= 20, iat= 223, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 PHE  QE           70 ASP  HA          6.00    (#    767:20  Preassigned    3.53, 4.76 A)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 221, 225,
 &end
#
#   15 PHE  HZ           70 ASP  HA          6.00    (#    768:20  Preassigned    2.36, 3.58 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 223,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 GLU  HA           42 PRO  HD2         6.00    (#    775:20  Preassigned    2.41, 3.85 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 603, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 GLU  HA           42 PRO  HD3         6.00    (#    776:20  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 603, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 LEU  HA           28 LEU  HB2         6.00    (#    789:20  Preassigned    2.57, 2.84 A)
 &rst
  ixpk= 789, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 LEU  HA           28 LEU  HB3         4.50    (#    790:20  Preassigned    2.16, 2.35 A)
 &rst
  ixpk= 790, nxpk= 20, iat= 396, 399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  QB           37 MET  HA          4.50    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 660, 661,
 &end
#
#   18 TYR  HB2          18 TYR  HA          3.50    (#    817:20  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 270, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 MET  HG2          37 MET  HA          4.50    (#    818:20  Preassigned    2.15, 3.11 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 554, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HG2          34 LYS  HA          3.50    (#    819:20  Preassigned    2.17, 2.85 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 554, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 TYR  HB3          18 TYR  HA          3.50    (#    821:20  Preassigned    2.38, 2.71 A)
 &rst
  ixpk= 821, nxpk= 20, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 GLN  HG2          29 THR  HA          6.00    (#    822:20  Preassigned    2.20, 2.39 A)
 &rst
  ixpk= 822, nxpk= 20, iat=1021, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 MET  HG3          37 MET  HA          3.50    (#    823:20  Preassigned    2.63, 3.66 A)
 &rst
  ixpk= 823, nxpk= 20, iat= 555, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLU  QB            3 GLU  HA          3.50    (#    824:20  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  40,
 &end
#
#   68 GLN  QB           29 THR  HA          6.00    (#    825:20  Preassigned    4.21, 4.65 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1018,1019,
 &end
#
#   37 MET  QB           37 MET  HA          3.50    (#    826:20  Preassigned    2.23, 2.62 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 551, 552,
 &end
#
#   34 LYS  HG2          34 LYS  HA          3.50    (#    827:20  Preassigned    2.63, 3.22 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 497, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 THR  HB           27 THR  HA          4.50    (#    828:20  Preassigned    2.27, 2.40 A)
 &rst
  ixpk= 828, nxpk= 20, iat= 384, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HA2           5 GLU  HA          6.00    (#    831:20  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 831, nxpk= 20, iat= 123,  71, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 SER  HB2          27 THR  HA          6.00    (#    835:20  Preassigned    4.41, 5.05 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 291, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 LYS  HE2          56 LYS  HA          4.50    (#    837:20  Preassigned    5.12, 6.31 A)
 &rst
  ixpk= 837, nxpk= 20, iat= 849, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HB3          27 THR  HA          6.00    (#    841:20  Preassigned    4.29, 4.85 A)
 &rst
  ixpk= 841, nxpk= 20, iat=1052, 382, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 MET  QG            5 GLU  HA          4.50    (#    843:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    5 GLU  HB2           5 GLU  HA          3.50    (#    844:20  Preassigned    2.76, 3.36 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  73,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  QB           56 LYS  HA          3.50    (#    846:20  Preassigned    2.05, 3.20 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#    5 GLU  HB3           5 GLU  HA          3.50    (#    847:20  Preassigned    2.36, 2.51 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  74,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LYS  QD           56 LYS  HA          3.50    (#    849:20  Preassigned    2.23, 2.88 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 846, 847,
 &end
#
#   59 LYS  HG3          56 LYS  HA          3.50    (#    850:20  Preassigned    2.52, 3.32 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 904, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HB2          19 SER  HA          3.50    (#    855:20  Preassigned    2.26, 2.51 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 VAL  HA           73 GLU  HA          6.00    (#    856:20  Preassigned    5.41, 5.72 A)
 &rst
  ixpk= 856, nxpk= 20, iat=1146,1092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HD3          38 GLU  HA          4.50    (#    857:20  Preassigned    4.11, 4.85 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 637, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HB3          19 SER  HA          3.50    (#    862:20  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASP  QB           59 LYS  HA          3.50    (#    863:20  Preassigned    2.08, 3.33 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 953, 954,
 &end
#
#   38 GLU  QG           38 GLU  HA          3.50    (#    864:20  Preassigned    2.00, 2.66 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 571, 572,
 &end
#
#   10 MET  HG3          10 MET  HA          3.50    (#    865:20  Preassigned    3.20, 3.41 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 136, 130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HB2          38 GLU  HA          3.50    (#    866:20  Preassigned    2.95, 3.00 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 MET  HB3           5 GLU  HA          3.50    (#    867:20  Preassigned    1.94, 2.42 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 109,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HB3          73 GLU  HA          3.50    (#    868:20  Preassigned    2.20, 2.36 A)
 &rst
  ixpk= 868, nxpk= 20, iat=1095,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  QB           59 LYS  HA          3.50    (#    869:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#   59 LYS  HG2          59 LYS  HA          3.50    (#    870:20  Preassigned    2.29, 2.46 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 903, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HG3          59 LYS  HA          3.50    (#    871:20  Preassigned    2.92, 3.49 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 904, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 SER  QB           21 SER  HA          3.50    (#    872:20  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 310,
 &end
#
#   19 SER  HB2          21 SER  HA          6.00    (#    873:20  Preassigned    3.35, 5.47 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 291, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HD2          17 ARG  HA          4.50    (#    874:20  Preassigned    3.96, 4.44 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 252, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  QG           32 GLU  HA          3.50    (#    875:20  Preassigned    2.42, 3.19 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 463, 464,
 &end
#
#   60 ASP  HB2          57 LEU  HA          3.50    (#    880:20  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 922, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB2          55 ASP  HA          3.50    (#    881:20  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 881, nxpk= 20, iat= 828, 826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  QB           39 LYS  HA          3.50    (#    884:20  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 584,
 &end
#
#   58 LEU  HB2          58 LEU  HA          3.50    (#    885:20  Preassigned    2.44, 2.62 A)
 &rst
  ixpk= 885, nxpk= 20, iat= 881, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  QB           49 LYS  HA          3.50    (#    886:20  Preassigned    2.15, 2.55 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 734, 735,
 &end
#
#   39 LYS  HG3          39 LYS  HA          3.50    (#    887:20  Preassigned    2.14, 2.78 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 587, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD3          39 LYS  HA          4.50    (#    891:20  Preassigned    3.46, 4.17 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 637, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HB2          58 LEU  HA          4.50    (#    893:20  Double Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat= 922, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASP  HB3          60 ASP  HA          3.50    (#    894:20  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 923, 920, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HB3          55 ASP  HA          3.50    (#    896:20  Preassigned    2.40, 2.53 A)
 &rst
  ixpk= 896, nxpk= 20, iat= 829, 826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 GLU  HG2          90 GLU  HA          3.50    (#    898:20  Preassigned    2.36, 3.00 A)
 &rst
  ixpk= 898, nxpk= 20, iat=1368,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 LEU  HB2          33 LEU  HA          4.50    (#    900:20  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 900, nxpk= 20, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HB3          45 LEU  HA          3.50    (#    905:20  Preassigned    2.31, 2.54 A)
 &rst
  ixpk= 905, nxpk= 20, iat= 681, 678, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB3          61 LEU  HA          3.50    (#    907:20  Preassigned    5.02, 5.41 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 935, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ALA  QB           60 ASP  HA          4.50    (#    910:20  Preassigned    4.16, 6.38 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 966, 967,
 &end
#
#   42 PRO  HD2          39 LYS  HA          4.50    (#    913:20  Preassigned    4.67, 5.22 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 636, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 LYS  HB2          91 LYS  HA          3.50    (#    918:20  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 918, nxpk= 20, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 LYS  QG           91 LYS  HA          3.50    (#    920:20  Preassigned    2.18, 3.28 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1383,1384,
 &end
#
#   24 SER  HB2          22 GLU  HA          4.50    (#    921:20  Preassigned    5.41, 6.85 A)
 &rst
  ixpk= 921, nxpk= 20, iat= 342, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 MET  QB            1 MET  HA          3.50    (#    925:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#   22 GLU  HB2          22 GLU  HA          3.50    (#    926:20  Preassigned    2.32, 2.52 A)
 &rst
  ixpk= 926, nxpk= 20, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HB3          22 GLU  HA          3.50    (#    927:20  Preassigned    2.38, 2.45 A)
 &rst
  ixpk= 927, nxpk= 20, iat= 321, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLU  QG           40 GLU  HA          6.00    (#    938:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 608, 609,
 &end
#
#   79 ALA  QB           79 ALA  HA          3.50    (#    943:20  Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1200,1201,1202,
 &end
#
#   78 VAL  HA           80 ALA  HA          6.00    (#    951:20  Preassigned    6.22, 6.35 A)
 &rst
  ixpk= 951, nxpk= 20, iat=1182,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 LYS  HE2          53 ALA  HA          4.50    (#    953:20  Preassigned    4.81, 5.19 A)
 &rst
  ixpk= 953, nxpk= 20, iat= 849, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HB3          53 ALA  HA          4.50    (#    955:20  Double Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat= 829, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LYS  QB           53 ALA  HA          3.50    (#    963:20  Preassigned    2.05, 2.97 A)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 840, 841,
 &end
#
#   81 ILE  HB           79 ALA  HA          4.50    (#    964:20  Preassigned    4.94, 5.57 A)
 &rst
  ixpk= 964, nxpk= 20, iat=1220,1198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ALA  QB            7 ALA  HA          3.50    (#    965:20  Preassigned    2.21, 2.64 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  98,  99, 100,
 &end
#
#   94 LEU  QB           94 LEU  HA          3.50    (#    966:20  Preassigned    2.24, 2.53 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1423,1424,
 &end
#
#    6 ALA  QB            6 ALA  HA          3.50    (#    967:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  88,  89,  90,
 &end
#
#   80 ALA  QB           80 ALA  HA          3.50    (#    968:20  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1210,1211,1212,
 &end
#
#    1 MET  QG            6 ALA  HA          4.50    (#    991:20  Preassigned    2.68, 3.51 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   81 ILE  HA           84 ALA  HA          4.50    (#   1024:20  Preassigned    4.62, 4.90 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=1218,1262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ALA  QB           63 ALA  HA          3.50    (#   1027:20  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   58 LEU  HA           67 ALA  HA          4.50    (#   1030:20  Double Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat= 879,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HB3          84 ALA  HA          6.00    (#   1032:20  Double Ambig)
 &rst
  ixpk= 1032, nxpk= 20, iat=1286,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ASP  QB           67 ALA  HA          4.50    (#   1033:20  Double Ambig)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 953, 954,
 &end
#
#   68 GLN  HG3          67 ALA  HA          6.00    (#   1034:20  Preassigned    5.42, 5.87 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1022,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 LEU  HG           67 ALA  HA          4.50    (#   1036:20  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat= 884,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  QB           67 ALA  HA          3.50    (#   1039:20  Preassigned    2.43, 2.67 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1008,1009,1010,
 &end
#
#   64 ASN  HB2          64 ASN  HA          4.50    (#   1045:20  Preassigned    2.18, 2.41 A)
 &rst
  ixpk= 1045, nxpk= 20, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HB3          64 ASN  HA          4.50    (#   1047:20  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1047, nxpk= 20, iat= 976, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HG2          67 ALA  HA          6.00    (#   1050:20  Preassigned    5.81, 6.20 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=1021,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 GLU  HB2          70 ASP  HA          6.00    (#   1051:20  Preassigned    4.68, 5.28 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1094,1049, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ASP  HB2          70 ASP  HA          4.50    (#   1059:20  Preassigned    2.41, 2.90 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HB3          70 ASP  HA          4.50    (#   1061:20  Preassigned    2.41, 2.67 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=1052,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HA           42 PRO  HD3         6.00    (#   1074:20  Preassigned    2.29, 2.94 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 645, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  QG           42 PRO  HD2         4.50    (#   1081:20  Preassigned    2.26, 2.61 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 639, 640,
 &end
#
#   42 PRO  HB2          42 PRO  HD3         4.50    (#   1082:20  Preassigned    3.77, 3.85 A)
 &rst
  ixpk= 1082, nxpk= 20, iat= 642, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB3          42 PRO  HD2         4.50    (#   1083:20  Preassigned    3.24, 3.67 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 643, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB3          42 PRO  HD3         4.50    (#   1084:20  Preassigned    3.31, 3.84 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 643, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HG           42 PRO  HD3         6.00    (#   1087:20  Preassigned    6.18, 6.64 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 683, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HB            9 GLY  HA3         4.50    (#   1121:20  Preassigned    2.39, 3.40 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 168, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  QB           43 GLY  QA          4.50    (#   1128:20  Double Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 699, 700,
 igr2= 651, 652,
 &end
#
#   45 LEU  HB2          43 GLY  QA          3.50    (#   1129:20  Double Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 651, 652,
 &end
#
#   30 LYS  QG           31 GLY  QA          4.50    (#   1132:20  Preassigned    3.45, 4.96 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 434, 435,
 igr2= 451, 452,
 &end
#
#   45 LEU  HG           43 GLY  QA          4.50    (#   1133:20  Double Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 651, 652,
 &end
#
#   34 LYS  HB2          31 GLY  QA          4.50    (#   1140:20  Preassigned    3.16, 5.49 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   19 SER  HB3          23 GLY  HA3         6.00    (#   1151:20  Preassigned    3.76, 5.78 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 292, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HB3          43 GLY  QA          4.50    (#   1157:20  Preassigned    4.39, 6.31 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 651, 652,
 &end
#
#   17 ARG  HB2          20 GLY  QA          4.50    (#   1158:20  Preassigned    3.87, 5.69 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 300, 301,
 &end
#
#   45 LEU  HB2          48 GLY  QA          6.00    (#   1161:20  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 725, 726,
 &end
#
#   17 ARG  HG2          20 GLY  QA          6.00    (#   1162:20  Preassigned    5.59, 6.91 A)
 &rst
  ixpk= 1162, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 300, 301,
 &end
#
#   45 LEU  HG           48 GLY  QA          4.50    (#   1164:20  Preassigned    4.47, 4.88 A)
 &rst
  ixpk= 1164, nxpk= 20, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 725, 726,
 &end
#
#   17 ARG  HG3          20 GLY  QA          6.00    (#   1165:20  Preassigned    5.67, 6.83 A)
 &rst
  ixpk= 1165, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 300, 301,
 &end
#
#   25 THR  HA           23 GLY  HA2         6.00    (#   1167:20  Preassigned    2.16, 4.33 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 351, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 PHE  HA           93 GLY  QA          4.50    (#   1176:20  Double Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1414,1415,
 &end
#
#   44 PHE  QB           48 GLY  QA          6.00    (#   1177:20  Preassigned    4.10, 6.86 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 660, 661,
 igr2= 725, 726,
 &end
#
#   89 PHE  QB           93 GLY  QA          6.00    (#   1186:20  Double Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1345,1346,
 igr2=1414,1415,
 &end
#
#   32 GLU  QG           28 LEU  HB2         6.00    (#   1188:20  Preassigned    2.44, 4.59 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 463, 464,
 &end
#
#   32 GLU  QG           28 LEU  HB3         6.00    (#   1189:20  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 463, 464,
 &end
#
#   26 GLN  HB2          23 GLY  HA2         6.00    (#   1190:20  Preassigned    4.94, 6.21 A)
 &rst
  ixpk= 1190, nxpk= 20, iat= 367, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  HB2          28 LEU  HB2         6.00    (#   1191:20  Preassigned    2.48, 3.46 A)
 &rst
  ixpk= 1191, nxpk= 20, iat= 475, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  HB2          28 LEU  HB3         6.00    (#   1192:20  Preassigned    2.15, 3.62 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 475, 399, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 GLU  QB           28 LEU  HB3         6.00    (#   1194:20  Preassigned    2.29, 4.20 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 460, 461,
 &end
#
#   40 GLU  QG           17 ARG  HD2         6.00    (#   1215:20  Unique         4.10, 6.29 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 608, 609,
 &end
#
#   14 VAL  HB           17 ARG  HD3         6.00    (#   1216:20  Unique         3.21, 5.96 A)
 &rst
  ixpk= 1216, nxpk= 20, iat= 199, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HG2          17 ARG  HD2         4.50    (#   1219:20  Preassigned    2.23, 2.72 A)
 &rst
  ixpk= 1219, nxpk= 20, iat= 249, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HG2          17 ARG  HD3         4.50    (#   1220:20  Preassigned    2.32, 2.67 A)
 &rst
  ixpk= 1220, nxpk= 20, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HG3          17 ARG  HD2         4.50    (#   1221:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ARG  HG3          17 ARG  HD3         4.50    (#   1222:20  Preassigned    2.36, 2.83 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 250, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LEU  HA           94 LEU  QB          4.50    (#   1248:20  Preassigned    2.24, 2.53 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=1421,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1423,1424,
 &end
#
#   39 LYS  QD           39 LYS  QE          3.50    (#   1253:20  Preassigned    2.34, 2.62 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 589, 590,
 igr2= 592, 593,
 &end
#
#   58 LEU  QD1          29 THR  HA          6.00    (#   1257:20  Preassigned    4.20, 5.74 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 886, 887, 888,
 &end
#
#   41 LEU  QD1          37 MET  HA          3.50    (#   1258:20  Preassigned    5.38, 6.96 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 625, 626, 627,
 &end
#
#   45 LEU  QQD          37 MET  HA          3.50    (#   1260:20  Preassigned    5.38, 6.96 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   36 LEU  HG           37 MET  HA          3.50    (#   1261:20  Double Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat= 535, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 THR  QG           27 THR  HA          4.50    (#   1262:20  Preassigned    2.43, 3.24 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   28 LEU  QQD          27 THR  HA          6.00    (#   1265:20  Preassigned    3.76, 5.83 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#    5 GLU  HG3           5 GLU  HA          3.50    (#   1268:20  Preassigned    2.40, 3.14 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  77,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 THR  QG           24 SER  HA          6.00    (#   1269:20  Double Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 386, 387, 388,
 &end
#
#   45 LEU  QQD          38 GLU  HA          3.50    (#   1270:20)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   28 LEU  QQD          19 SER  HA          3.50    (#   1272:20  Preassigned    3.91, 6.23 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 THR  QG           24 SER  HA          6.00    (#   1273:20  Preassigned    4.93, 6.65 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 355, 356, 357,
 &end
#
#   29 THR  QG           32 GLU  HA          3.50    (#   1276:20  Double Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 419, 420, 421,
 &end
#
#   54 VAL  QG1          55 ASP  HA          3.50    (#   1277:20  Preassigned    3.28, 4.67 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 814, 815, 816,
 &end
#
#   58 LEU  QD1          58 LEU  HA          3.50    (#   1278:20  Preassigned    2.13, 3.48 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   57 LEU  QQD          57 LEU  HA          3.50    (#   1279:20  Preassigned    1.99, 3.83 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   12 ILE  QG2          13 ASP  HA          6.00    (#   1280:20  Unique         3.53, 4.77 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 170, 171, 172,
 &end
#
#   36 LEU  HB3          33 LEU  HA          3.50    (#   1281:20  Preassigned    2.81, 3.40 A)
 &rst
  ixpk= 1281, nxpk= 20, iat= 533, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 LEU  QQD          45 LEU  HA          3.50    (#   1282:20  Preassigned    2.15, 3.90 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   33 LEU  QQD          33 LEU  HA          3.50    (#   1283:20  Preassigned    4.10, 4.73 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 480, 481, 482, 484, 485, 486,
 &end
#
#   61 LEU  QD2          61 LEU  HA          3.50    (#   1284:20  Preassigned    3.20, 4.35 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 943, 944, 945,
 &end
#
#    5 GLU  HG3           1 MET  HA          4.50    (#   1291:20  Preassigned    3.56, 4.19 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  77,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 THR  QG           79 ALA  HA          3.50    (#   1294:20  Preassigned    3.35, 4.46 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   94 LEU  QD1          94 LEU  HA          4.50    (#   1298:20  Preassigned    2.37, 4.05 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1428,1429,1430,
 &end
#
#   82 THR  QG           80 ALA  HA          3.50    (#   1300:20  Double Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   58 LEU  QD1          67 ALA  HA          4.50    (#   1307:20  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 886, 887, 888,
 &end
#
#   58 LEU  QD1          67 ALA  HA          4.50    (#   1314:20  Double Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 886, 887, 888,
 &end
#
#   27 THR  QG           70 ASP  HA          4.50    (#   1318:20  Preassigned    2.47, 4.03 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   69 VAL  QG2          70 ASP  HA          6.00    (#   1320:20  Preassigned    6.65, 6.96 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1041,1042,1043,
 &end
#
#   12 ILE  QG2           9 GLY  HA2         6.00    (#   1347:20  Preassigned    2.98, 4.71 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 170, 171, 172,
 &end
#
#   12 ILE  QG2           9 GLY  HA3         6.00    (#   1348:20  Preassigned    4.14, 5.11 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 170, 171, 172,
 &end
#
#   34 LYS  HG3          31 GLY  QA          6.00    (#   1363:20  Preassigned    4.44, 5.85 A)
 &rst
  ixpk= 1363, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   54 VAL  QG2          48 GLY  QA          6.00    (#   1365:20  Preassigned    2.45, 4.45 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 818, 819, 820,
 igr2= 725, 726,
 &end
#
#   25 THR  QG           23 GLY  HA2         6.00    (#   1370:20  Preassigned    4.71, 6.47 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 355, 356, 357,
 &end
#
#   94 LEU  QD2          93 GLY  QA          6.00    (#   1373:20  Preassigned    3.66, 6.90 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1432,1433,1434,
 igr2=1414,1415,
 &end
#
#   33 LEU  QD1          28 LEU  HB2         6.00    (#   1374:20  Preassigned    3.31, 5.29 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   33 LEU  QD1          28 LEU  HB3         6.00    (#   1375:20  Preassigned    3.45, 5.97 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   33 LEU  QD1          28 LEU  HB3         6.00    (#   1376:20  Preassigned    3.45, 5.97 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   92 THR  QG           93 GLY  QA          6.00    (#   1378:20  Preassigned    2.88, 5.43 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1404,1405,1406,
 igr2=1414,1415,
 &end
#
#   69 VAL  QG2          28 LEU  HB2         6.00    (#   1379:20  Preassigned    2.85, 5.25 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1041,1042,1043,
 &end
#
#   69 VAL  QG2          28 LEU  HB3         6.00    (#   1380:20  Preassigned    4.24, 6.38 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1041,1042,1043,
 &end
#
#   28 LEU  QQD          28 LEU  HB2         4.50    (#   1382:20  Preassigned    2.22, 3.46 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   28 LEU  QQD          28 LEU  HB3         4.50    (#   1383:20  Preassigned    2.22, 3.48 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   14 VAL  QQG          17 ARG  HD2         6.00    (#   1386:20  Preassigned    2.64, 5.10 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   94 LEU  QD1          94 LEU  QB          3.50    (#   1403:20  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1428,1429,1430,
 igr2=1423,1424,
 &end
#
#   14 VAL  HN           14 VAL  HB          6.00    (#   1445:20  Preassigned    2.14, 2.33 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ASP  HA           70 ASP  HB2         4.50    (#   1492:20  Preassigned    2.41, 2.90 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=1049,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ASP  HA           70 ASP  HB3         6.00    (#   1493:20  Preassigned    2.41, 2.67 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 ASP  HA           50 ASP  HB2         4.50    (#   1510:20  Preassigned    2.47, 2.55 A)
 &rst
  ixpk= 1510, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HA           66 ASP  HB3         3.50    (#   1511:20  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 994, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 PHE  QE           18 TYR  HB3         6.00    (#   1517:20  Preassigned    3.77, 6.32 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 221, 225,
 &end
#
#   74 PHE  HE1          71 PHE  QB          6.00    (#   1519:20  Preassigned    4.98, 6.82 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1063,1064,
 &end
#
#   64 ASN  HA           64 ASN  HB2         4.50    (#   1527:20  Preassigned    2.18, 2.41 A)
 &rst
  ixpk= 1527, nxpk= 20, iat= 973, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASN  HA           64 ASN  HB3         4.50    (#   1528:20  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 973, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 PHE  HN           77 PHE  HB3         6.00    (#   1529:20  Preassigned    2.07, 2.32 A)
 &rst
  ixpk= 1529, nxpk= 20, iat=1160,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          15 PHE  HB2         4.50    (#   1531:20  Preassigned    2.95, 3.76 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=1115, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  HE1          74 PHE  HB2         6.00    (#   1532:20  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=1115,1109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 PHE  HE1          74 PHE  HB3         3.50    (#   1533:20  Preassigned    4.55, 4.65 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=1115,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HE1          15 PHE  HB3         4.50    (#   1534:20  Preassigned    3.02, 3.75 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=1115, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  HE1          75 ILE  HB          6.00    (#   1547:20  Preassigned    3.12, 4.78 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=1115,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 GLN  HA           68 GLN  HG2         4.50    (#   1559:20  Preassigned    2.14, 2.18 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLN  HA           68 GLN  HG3         4.50    (#   1560:20  Preassigned    2.66, 3.03 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=1016,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLU  HA           40 GLU  QG          6.00    (#   1577:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 608, 609,
 &end
#
#   40 GLU  HA           40 GLU  QG          6.00    (#   1578:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 608, 609,
 &end
#
#   57 LEU  HA           57 LEU  HB2         4.50    (#   1667:20  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 LEU  HA           57 LEU  HB3         4.50    (#   1668:20  Preassigned    2.34, 2.46 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 860, 863, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  HA           45 LEU  HB2         4.50    (#   1669:20  Preassigned    2.98, 3.03 A)
 &rst
  ixpk= 1669, nxpk= 20, iat= 678, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HG           60 ASP  HB2         4.50    (#   1692:20  Preassigned    4.28, 4.64 A)
 &rst
  ixpk= 1692, nxpk= 20, iat= 937, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LYS  QD           60 ASP  HB2         4.50    (#   1697:20  Preassigned    4.33, 4.71 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 846, 847,
 &end
#
#   63 ALA  QB           62 ASP  QB          3.50    (#   1698:20  Preassigned    4.17, 6.26 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 965, 966, 967,
 igr2= 953, 954,
 &end
#
#   62 ASP  HA           62 ASP  QB          3.50    (#   1700:20  Preassigned    2.26, 2.56 A)
 &rst
  ixpk= 1700, nxpk= 20, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 953, 954,
 &end
#
#   60 ASP  HA           60 ASP  HB3         3.50    (#   1702:20  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 1702, nxpk= 20, iat= 920, 923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 ASP  HA           58 LEU  HB3         6.00    (#   1703:20  Preassigned    2.18, 2.84 A)
 &rst
  ixpk= 1703, nxpk= 20, iat= 826, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 LYS  HA           62 ASP  QB          3.50    (#   1704:20  Preassigned    2.08, 3.33 A)
 &rst
  ixpk= 1704, nxpk= 20, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 953, 954,
 &end
#
#   33 LEU  HA           33 LEU  HB2         6.00    (#   1706:20  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 1706, nxpk= 20, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 LEU  HA           58 LEU  HB2         4.50    (#   1707:20  Preassigned    2.44, 2.62 A)
 &rst
  ixpk= 1707, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LEU  HA           58 LEU  HB3         4.50    (#   1708:20  Preassigned    2.94, 2.99 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HA           33 LEU  HB2         6.00    (#   1709:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 429, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HA           33 LEU  HB2         6.00    (#   1711:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 429, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HA           33 LEU  HB3         6.00    (#   1713:20  Preassigned    2.18, 2.57 A)
 &rst
  ixpk= 1713, nxpk= 20, iat= 429, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ASP  QB           58 LEU  HB2         4.50    (#   1716:20  Preassigned    2.71, 5.11 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 953, 954,
 &end
#
#   58 LEU  HG           62 ASP  QB          3.50    (#   1723:20  Preassigned    4.81, 5.51 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 953, 954,
 &end
#
#   56 LYS  QD           55 ASP  HB2         3.50    (#   1724:20  Preassigned    3.80, 5.32 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 846, 847,
 &end
#
#   61 LEU  HA           61 LEU  HB2         4.50    (#   1730:20  Preassigned    4.50, 4.99 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 932, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  QB           33 LEU  HB2         6.00    (#   1738:20  Double Ambig)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 460, 461,
 &end
#
#   73 GLU  HB3          64 ASN  HB2         4.50    (#   1745:20  Single Ambig)
 &rst
  ixpk= 1745, nxpk= 20, iat=1095, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  QG           55 ASP  HB2         3.50    (#   1746:20  Preassigned    3.05, 3.68 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 434, 435,
 &end
#
#   61 LEU  HA           64 ASN  HB3         6.00    (#   1749:20  Preassigned    3.53, 4.39 A)
 &rst
  ixpk= 1749, nxpk= 20, iat= 932, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 PHE  HA           15 PHE  HB2         6.00    (#   1751:20  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 PHE  HA           15 PHE  HB3         6.00    (#   1752:20  Preassigned    2.26, 2.79 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 213, 216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 GLU  HG2          64 ASN  HB2         4.50    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=1097, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HB           77 PHE  HB2         6.00    (#   1759:20  Double Ambig)
 &rst
  ixpk= 1759, nxpk= 20, iat=1184,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 VAL  HB           74 PHE  HB3         6.00    (#   1760:20  Double Ambig)
 &rst
  ixpk= 1760, nxpk= 20, iat=1184,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ALA  QB           64 ASN  HB2         3.50    (#   1761:20  Double Ambig)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   63 ALA  QB           64 ASN  HB3         3.50    (#   1762:20  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   13 ASP  HA           15 PHE  HB3         4.50    (#   1763:20  Preassigned    4.07, 5.11 A)
 &rst
  ixpk= 1763, nxpk= 20, iat= 185, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 PHE  HA           77 PHE  HB2         4.50    (#   1764:20  Preassigned    2.21, 2.55 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=1162,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 PHE  HA           77 PHE  HB3         3.50    (#   1765:20  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=1162,1165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 PHE  HA           74 PHE  HB2         4.50    (#   1767:20  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HA           77 PHE  HB3         6.00    (#   1770:20  Preassigned    5.16, 5.44 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=1092,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 PHE  HA           71 PHE  QB          4.50    (#   1775:20  Preassigned    2.25, 2.43 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1063,1064,
 &end
#
#   74 PHE  HB3          15 PHE  HB3         4.50    (#   1777:20  Preassigned    4.01, 4.54 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=1110, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HB2          77 PHE  HB3         6.00    (#   1787:20  Double Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat= 934,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 ALA  QB           77 PHE  HB2         6.00    (#   1792:20  Preassigned    5.07, 6.53 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1210,1211,1212,
 &end
#
#   61 LEU  HB3          77 PHE  HB3         4.50    (#   1793:20  Preassigned    2.01, 2.51 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 935,1165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HA           12 ILE  HB          4.50    (#   1795:20  Preassigned    3.84, 4.82 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 185, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HA2          12 ILE  HB          4.50    (#   1797:20  Preassigned    2.11, 2.96 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 123, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HA           44 PHE  QB          6.00    (#   1799:20  Preassigned    2.26, 5.60 A)
 &rst
  ixpk= 1799, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 660, 661,
 &end
#
#    5 GLU  HA            5 GLU  HG2         6.00    (#   1801:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HA            5 GLU  HG3         6.00    (#   1802:20  Preassigned    2.40, 3.14 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HA            5 GLU  HG2         6.00    (#   1804:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HB2           5 GLU  HG3         6.00    (#   1820:20  Preassigned    2.40, 2.73 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 LEU  HB2          77 PHE  HB2         6.00    (#   1822:20  Double Ambig)
 &rst
  ixpk= 1822, nxpk= 20, iat= 934,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 MET  QB           44 PHE  QB          6.00    (#   1823:20  Preassigned    5.85, 5.98 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 551, 552,
 igr2= 660, 661,
 &end
#
#    5 GLU  HB3           5 GLU  HG3         6.00    (#   1830:20  Preassigned    2.23, 2.67 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  74,  77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 GLU  HB3           5 GLU  HG2         4.50    (#   1831:20  Preassigned    2.44, 2.75 A)
 &rst
  ixpk= 1831, nxpk= 20, iat=  74,  76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 PHE  HA           44 PHE  QB          4.50    (#   1833:20  Preassigned    2.12, 2.76 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 660, 661,
 &end
#
#   12 ILE  HA           12 ILE  HB          4.50    (#   1836:20  Preassigned    2.99, 3.00 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 ASP  HB2          12 ILE  HB          6.00    (#   1838:20  Preassigned    4.87, 5.37 A)
 &rst
  ixpk= 1838, nxpk= 20, iat= 187, 168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 GLU  HA            3 GLU  HG2         4.50    (#   1843:20  Preassigned    2.92, 3.31 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  37,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           32 GLU  QG          3.50    (#   1844:20  Preassigned    2.42, 3.19 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 463, 464,
 &end
#
#   73 GLU  HA           73 GLU  HG2         4.50    (#   1847:20  Preassigned    2.46, 2.91 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HA           73 GLU  HG3         4.50    (#   1849:20  Preassigned    3.07, 3.39 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=1092,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HA           38 GLU  QG          4.50    (#   1851:20  Preassigned    2.00, 2.66 A)
 &rst
  ixpk= 1851, nxpk= 20, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 571, 572,
 &end
#
#   81 ILE  HA           81 ILE  HB          4.50    (#   1852:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=1218,1220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HA           81 ILE  HB          6.00    (#   1853:20  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 1853, nxpk= 20, iat=1182,1220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 TYR  HB2          32 GLU  QG          4.50    (#   1855:20  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#    3 GLU  QB            3 GLU  HG2         3.50    (#   1865:20  Preassigned    2.23, 2.71 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  40,
 &end
#
#    3 GLU  QB            3 GLU  HG3         3.50    (#   1866:20  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  40,
 &end
#
#   45 LEU  HB3          38 GLU  QG          4.50    (#   1871:20  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 571, 572,
 &end
#
#   28 LEU  HB2          32 GLU  QG          4.50    (#   1872:20  Preassigned    2.44, 4.59 A)
 &rst
  ixpk= 1872, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 463, 464,
 &end
#
#   90 GLU  HA           90 GLU  HG2         4.50    (#   1875:20  Preassigned    2.36, 3.00 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 GLU  HA           90 GLU  HG3         4.50    (#   1876:20  Preassigned    2.37, 3.24 A)
 &rst
  ixpk= 1876, nxpk= 20, iat=1363,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ILE  HG2          81 ILE  HB          3.50    (#   1884:20  Preassigned    2.30, 2.38 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=1226,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           22 GLU  QG          4.50    (#   1885:20  Preassigned    2.56, 3.69 A)
 &rst
  ixpk= 1885, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 323, 324,
 &end
#
#   72 SER  HA           75 ILE  HB          6.00    (#   1886:20  Preassigned    2.88, 3.34 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=1081,1129, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ILE  HA           75 ILE  HB          4.50    (#   1889:20  Preassigned    2.47, 2.58 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LYS  HE2          56 LYS  QD          6.00    (#   1898:20  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1898, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 846, 847,
 &end
#
#   91 LYS  QD           91 LYS  QG          3.50    (#   1902:20  Preassigned    2.28, 2.68 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1386,1387,
 igr2=1383,1384,
 &end
#
#   95 LYS  QD           95 LYS  HG3         4.50    (#   1903:20  Preassigned    2.41, 2.72 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1448,1449,
 &end
#
#   40 GLU  QB           41 LEU  QD2         6.00    (#   1910:20  Preassigned    2.38, 6.38 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 605, 606,
 igr2= 629, 630, 631,
 &end
#
#   36 LEU  HB2          36 LEU  HG          6.00    (#   1912:20  Preassigned    2.23, 2.61 A)
 &rst
  ixpk= 1912, nxpk= 20, iat= 532, 535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 VAL  HA           69 VAL  HB          4.50    (#   1941:20  Preassigned    2.99, 3.03 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=1033,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HA           26 GLN  QG          3.50    (#   1942:20  Preassigned    2.21, 3.17 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 370, 371,
 &end
#
#   39 LYS  HA           39 LYS  QB          3.50    (#   1944:20  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 1944, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 583, 584,
 &end
#
#   27 THR  HB           69 VAL  HB          4.50    (#   1945:20  Preassigned    5.51, 5.65 A)
 &rst
  ixpk= 1945, nxpk= 20, iat= 384,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  HA           39 LYS  QB          6.00    (#   1948:20  Preassigned    2.62, 5.66 A)
 &rst
  ixpk= 1948, nxpk= 20, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 583, 584,
 &end
#
#   68 GLN  QB           68 GLN  HG2         3.50    (#   1961:20  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1018,1019,
 &end
#
#   68 GLN  QB           68 GLN  HG3         3.50    (#   1962:20  Preassigned    2.37, 2.71 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1018,1019,
 &end
#
#   39 LYS  HG2          39 LYS  QB          3.50    (#   1964:20  Preassigned    2.27, 2.59 A)
 &rst
  ixpk= 1964, nxpk= 20, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 583, 584,
 &end
#
#    6 ALA  QB            1 MET  QB          4.50    (#   1965:20  Preassigned    2.29, 5.41 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,  90,
 igr2=   8,   9,
 &end
#
#   28 LEU  HB2          69 VAL  HB          3.50    (#   1966:20  Preassigned    2.48, 3.37 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 398,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 THR  HA           26 GLN  QG          3.50    (#   1967:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 1967, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 370, 371,
 &end
#
#   10 MET  HA           10 MET  HG2         4.50    (#   1968:20  Preassigned    3.98, 4.06 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 130, 135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HA           10 MET  HG3         4.50    (#   1969:20  Preassigned    3.20, 3.41 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 130, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HA           46 GLN  QG          4.50    (#   1971:20  Preassigned    2.27, 3.15 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 702, 703,
 &end
#
#   43 GLY  QA           46 GLN  QG          6.00    (#   1972:20  Preassigned    2.40, 4.91 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 702, 703,
 &end
#
#   10 MET  QB           10 MET  HG2         3.50    (#   1977:20  Preassigned    2.20, 2.46 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 132, 133,
 &end
#
#    1 MET  QG            1 MET  QB          3.50    (#   1978:20  Preassigned    2.35, 2.72 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   45 LEU  HB3          46 GLN  QG          6.00    (#   1986:20  Preassigned    4.67, 5.80 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 702, 703,
 &end
#
#   91 LYS  HA           91 LYS  HB2         4.50    (#   1988:20  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 1988, nxpk= 20, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 LYS  HA           91 LYS  HB3         4.50    (#   1989:20  Preassigned    2.42, 2.57 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=1378,1381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 MET  HA           37 MET  HG2         6.00    (#   1990:20  Preassigned    2.15, 3.11 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 549, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LYS  HA           49 LYS  QB          3.50    (#   2000:20  Double Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 734, 735,
 &end
#
#   56 LYS  HA           56 LYS  QB          3.50    (#   2002:20  Preassigned    2.33, 2.76 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 840, 841,
 &end
#
#   37 MET  HA           37 MET  HG3         3.50    (#   2004:20  Preassigned    2.63, 3.66 A)
 &rst
  ixpk= 2004, nxpk= 20, iat= 549, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 MET  HG2          37 MET  QB          6.00    (#   2007:20  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 551, 552,
 &end
#
#    7 ALA  HA           10 MET  QB          4.50    (#   2017:20  Preassigned    2.40, 3.90 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 132, 133,
 &end
#
#   14 VAL  HA           14 VAL  HB          3.50    (#   2022:20  Preassigned    2.56, 2.88 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 197, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 LYS  HA           34 LYS  HB2         4.50    (#   2023:20  Preassigned    2.12, 2.24 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 492, 494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HA           30 LYS  HB3         4.50    (#   2024:20  Preassigned    2.63, 2.86 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HA           54 VAL  HB          4.50    (#   2025:20  Preassigned    2.97, 3.01 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 810, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 MET  HG3          10 MET  QB          3.50    (#   2037:20  Preassigned    2.51, 2.84 A)
 &rst
  ixpk= 2037, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 132, 133,
 &end
#
#   73 GLU  HA           76 VAL  HB          3.50    (#   2045:20  Preassigned    3.16, 5.49 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1092,1148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 VAL  HA           78 VAL  HB          6.00    (#   2046:20  Preassigned    2.93, 2.97 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           76 VAL  HB          6.00    (#   2047:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=1146,1148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ILE  HA           78 VAL  HB          4.50    (#   2048:20  Preassigned    2.12, 2.56 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=1127,1184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HB3          54 VAL  HB          4.50    (#   2049:20  Preassigned    2.60, 3.82 A)
 &rst
  ixpk= 2049, nxpk= 20, iat= 829, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 ALA  QB           54 VAL  HB          4.50    (#   2053:20  Preassigned    6.33, 6.83 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 802, 803, 804,
 &end
#
#    8 MET  HA            8 MET  HG3         6.00    (#   2054:20  Preassigned    2.15, 3.01 A)
 &rst
  ixpk= 2054, nxpk= 20, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 MET  HA            1 MET  QG          4.50    (#   2055:20  Preassigned    2.20, 2.69 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#   22 GLU  HA           22 GLU  HB2         4.50    (#   2056:20  Preassigned    2.32, 2.52 A)
 &rst
  ixpk= 2056, nxpk= 20, iat= 318, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           22 GLU  HB3         4.50    (#   2057:20  Preassigned    2.38, 2.45 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 318, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ALA  HA            1 MET  QG          4.50    (#   2058:20  Preassigned    2.68, 3.51 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#    5 GLU  HG2           5 GLU  HB2         3.50    (#   2063:20  Preassigned    2.40, 2.78 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  76,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLU  QG           40 GLU  QB          6.00    (#   2064:20  Preassigned    2.21, 2.66 A)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 608, 609,
 igr2= 605, 606,
 &end
#
#    8 MET  HB2           8 MET  HG2         3.50    (#   2065:20  Preassigned    2.45, 2.73 A)
 &rst
  ixpk= 2065, nxpk= 20, iat= 108, 111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LYS  QB           40 GLU  QG          6.00    (#   2067:20  Preassigned    2.06, 4.96 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 583, 584,
 igr2= 608, 609,
 &end
#
#    6 ALA  QB            1 MET  QG          6.00    (#   2073:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  88,  89,  90,
 igr2=  11,  12,
 &end
#
#   32 GLU  HA           32 GLU  QB          3.50    (#   2077:20  Preassigned    2.19, 2.69 A)
 &rst
  ixpk= 2077, nxpk= 20, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 460, 461,
 &end
#
#   27 THR  HB           68 GLN  QB          3.50    (#   2078:20  Preassigned    2.60, 3.48 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1018,1019,
 &end
#
#   17 ARG  HA           17 ARG  HB3         3.50    (#   2079:20  Preassigned    2.20, 2.50 A)
 &rst
  ixpk= 2079, nxpk= 20, iat= 244, 247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HA           73 GLU  HB2         4.50    (#   2080:20  Preassigned    2.80, 2.99 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLU  HA           73 GLU  HB3         3.50    (#   2081:20  Preassigned    2.20, 2.36 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=1092,1095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD2          42 PRO  HB2         6.00    (#   2084:20  Preassigned    2.74, 3.54 A)
 &rst
  ixpk= 2084, nxpk= 20, iat= 636, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ARG  HD2          17 ARG  HB2         6.00    (#   2086:20  Preassigned    2.19, 3.27 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 252, 246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 LEU  HG           32 GLU  QB          4.50    (#   2095:20  Preassigned    4.07, 5.01 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 460, 461,
 &end
#
#   26 GLN  HA           26 GLN  HB2         4.50    (#   2096:20  Preassigned    2.36, 2.75 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HA           26 GLN  HB3         4.50    (#   2097:20  Preassigned    2.29, 2.55 A)
 &rst
  ixpk= 2097, nxpk= 20, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HA           86 HIS  HB2         4.50    (#   2098:20  Preassigned    2.29, 2.52 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HA           86 HIS  HB3         6.00    (#   2099:20  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1283,1286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 GLU  HA            3 GLU  QB          3.50    (#   2102:20  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  39,  40,
 &end
#
#   38 GLU  HA           38 GLU  HB2         4.50    (#   2103:20  Preassigned    2.95, 3.00 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 566, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HA           39 LYS  QD          4.50    (#   2120:20  Preassigned    2.46, 3.79 A)
 &rst
  ixpk= 2120, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 589, 590,
 &end
#
#   43 GLY  QA           46 GLN  QB          4.50    (#   2124:20  Preassigned    3.28, 5.91 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 651, 652,
 igr2= 699, 700,
 &end
#
#   39 LYS  QE           39 LYS  QD          4.50    (#   2130:20  Preassigned    2.34, 2.62 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 592, 593,
 igr2= 589, 590,
 &end
#
#   39 LYS  HG2          39 LYS  QD          3.50    (#   2146:20  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 2146, nxpk= 20, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 589, 590,
 &end
#
#   46 GLN  HA           46 GLN  QB          3.50    (#   2151:20  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 2151, nxpk= 20, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 699, 700,
 &end
#
#   46 GLN  QG           46 GLN  QB          3.50    (#   2157:20  Preassigned    2.27, 2.68 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 702, 703,
 igr2= 699, 700,
 &end
#
#   17 ARG  HA           17 ARG  HG3         4.50    (#   2166:20  Preassigned    2.68, 3.09 A)
 &rst
  ixpk= 2166, nxpk= 20, iat= 244, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HA           17 ARG  HG3         4.50    (#   2169:20  Preassigned    2.11, 2.94 A)
 &rst
  ixpk= 2169, nxpk= 20, iat= 197, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ASP  HA           58 LEU  HG          6.00    (#   2178:20  Preassigned    4.72, 5.42 A)
 &rst
  ixpk= 2178, nxpk= 20, iat= 826, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 LEU  HA           57 LEU  HG          3.50    (#   2181:20  Preassigned    3.42, 3.62 A)
 &rst
  ixpk= 2181, nxpk= 20, iat= 860, 865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 SER  HA           75 ILE  QG1         4.50    (#   2182:20  Preassigned    4.35, 5.09 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1135,1136,
 &end
#
#   42 PRO  HD3          42 PRO  QG          6.00    (#   2184:20  Preassigned    2.26, 2.56 A)
 &rst
  ixpk= 2184, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 639, 640,
 &end
#
#   17 ARG  HD2          17 ARG  HG3         4.50    (#   2187:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 2187, nxpk= 20, iat= 252, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ILE  HA           75 ILE  QG1         6.00    (#   2188:20  Preassigned    2.12, 3.15 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1135,1136,
 &end
#
#   42 PRO  HB3          42 PRO  QG          3.50    (#   2194:20  Preassigned    2.30, 2.62 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 639, 640,
 &end
#
#   58 LEU  HB3          58 LEU  HG          6.00    (#   2197:20  Preassigned    2.52, 2.82 A)
 &rst
  ixpk= 2197, nxpk= 20, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 ILE  HB           75 ILE  QG1         3.50    (#   2198:20  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1135,1136,
 &end
#
#   58 LEU  HA           58 LEU  HG          4.50    (#   2201:20  Preassigned    2.39, 2.57 A)
 &rst
  ixpk= 2201, nxpk= 20, iat= 879, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 LYS  HA           59 LYS  HG2         4.50    (#   2216:20  Preassigned    2.29, 2.46 A)
 &rst
  ixpk= 2216, nxpk= 20, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HA           61 LEU  HG          6.00    (#   2217:20  Preassigned    2.14, 3.51 A)
 &rst
  ixpk= 2217, nxpk= 20, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 LEU  HG           58 LEU  QD1         3.50    (#   2221:20  Preassigned    2.24, 2.66 A)
 &rst
  ixpk= 2221, nxpk= 20, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 886, 887, 888,
 &end
#
#   28 LEU  HB3          58 LEU  QD1         4.50    (#   2222:20  Preassigned    2.99, 3.73 A)
 &rst
  ixpk= 2222, nxpk= 20, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 886, 887, 888,
 &end
#
#   39 LYS  HA           39 LYS  HG2         4.50    (#   2225:20  Preassigned    2.33, 3.04 A)
 &rst
  ixpk= 2225, nxpk= 20, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HA           39 LYS  HG3         3.50    (#   2226:20  Preassigned    2.14, 2.78 A)
 &rst
  ixpk= 2226, nxpk= 20, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 LYS  HA           59 LYS  HG3         3.50    (#   2228:20  Preassigned    2.92, 3.49 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 898, 904, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 LEU  HA           61 LEU  QD1         4.50    (#   2229:20  Preassigned    3.96, 4.83 A)
 &rst
  ixpk= 2229, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 939, 940, 941,
 &end
#
#   56 LYS  HA           56 LYS  HG2         4.50    (#   2230:20  Preassigned    2.50, 3.13 A)
 &rst
  ixpk= 2230, nxpk= 20, iat= 838, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LYS  HA           34 LYS  HG3         6.00    (#   2233:20  Preassigned    2.69, 3.53 A)
 &rst
  ixpk= 2233, nxpk= 20, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 LYS  HE2          56 LYS  HG2         4.50    (#   2237:20  Preassigned    2.10, 3.07 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 849, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 LYS  HB2          34 LYS  HG3         4.50    (#   2240:20  Preassigned    2.15, 2.27 A)
 &rst
  ixpk= 2240, nxpk= 20, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LEU  HB2          61 LEU  QD1         3.50    (#   2242:20  Preassigned    2.25, 3.02 A)
 &rst
  ixpk= 2242, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 939, 940, 941,
 &end
#
#   56 LYS  QB           56 LYS  HG2         3.50    (#   2244:20  Preassigned    2.31, 2.74 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 840, 841,
 &end
#
#   61 LEU  HB3          61 LEU  QD1         3.50    (#   2248:20  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2248, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 939, 940, 941,
 &end
#
#   55 ASP  HA           59 LYS  HG3         4.50    (#   2249:20  Preassigned    4.47, 4.81 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 826, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HB3          58 LEU  QD1         3.50    (#   2259:20  Double Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 886, 887, 888,
 &end
#
#   95 LYS  HA           94 LEU  QD1         4.50    (#   2263:20  Preassigned    3.85, 5.66 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1428,1429,1430,
 &end
#
#   39 LEU  HB3          39 LYS  QE          6.00    (#   2297:20  Unique         2.78, 6.60 A)
 &rst
  ixpk= 2297, nxpk= 20, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 592, 593,
 &end
#
#   27 THR  QG           70 ASP  HB2         6.00    (#   2299:20  Preassigned    2.72, 5.31 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 386, 387, 388,
 &end
#
#   27 THR  QG           70 ASP  HB3         4.50    (#   2300:20  Preassigned    2.90, 5.12 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   58 LEU  QD1          62 ASP  QB          4.50    (#   2302:20  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 886, 887, 888,
 igr2= 953, 954,
 &end
#
#   57 LEU  QQD          57 LEU  HB2         3.50    (#   2304:20  Preassigned    2.41, 3.55 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 867, 868, 869, 871, 872, 873,
 &end
#
#   61 LEU  QD1          62 ASP  QB          4.50    (#   2306:20  Preassigned    4.10, 6.30 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 939, 940, 941,
 igr2= 953, 954,
 &end
#
#   61 LEU  QD2          62 ASP  QB          6.00    (#   2307:20  Preassigned    4.59, 6.37 A)
 &rst
  ixpk= 2307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 943, 944, 945,
 igr2= 953, 954,
 &end
#
#   33 LEU  QD1          33 LEU  HB2         6.00    (#   2311:20  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 2311, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   33 LEU  QD1          58 LEU  HB2         3.50    (#   2313:20  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 480, 481, 482,
 &end
#
#   58 LEU  QD1          33 LEU  HB2         6.00    (#   2315:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 886, 887, 888,
 &end
#
#   58 LEU  QD1          58 LEU  HB2         3.50    (#   2316:20  Preassigned    2.26, 3.15 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   45 LEU  QQD          45 LEU  HB2         3.50    (#   2317:20  Preassigned    2.36, 3.43 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   58 LEU  QD1          58 LEU  HB3         3.50    (#   2318:20  Preassigned    2.99, 3.73 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 886, 887, 888,
 &end
#
#   69 VAL  QG2          33 LEU  HB2         6.00    (#   2319:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1041,1042,1043,
 &end
#
#   33 LEU  QD2          33 LEU  HB2         4.50    (#   2321:20  Preassigned    2.40, 3.46 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#   33 LEU  QD2          33 LEU  HB3         4.50    (#   2322:20  Preassigned    2.31, 3.14 A)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#   58 LEU  QD1          33 LEU  HB2         6.00    (#   2326:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 886, 887, 888,
 &end
#
#   61 LEU  QD1          61 LEU  HB3         4.50    (#   2327:20  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 939, 940, 941,
 &end
#
#   36 LEU  HB3          18 TYR  HB3         6.00    (#   2329:20  Preassigned    5.04, 5.48 A)
 &rst
  ixpk= 2329, nxpk= 20, iat= 533, 271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 LEU  QQD          18 TYR  HB2         4.50    (#   2330:20  Preassigned    2.14, 4.61 A)
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   28 LEU  QQD          18 TYR  HB3         4.50    (#   2331:20  Preassigned    2.74, 4.89 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   33 LEU  QD1          74 PHE  HB2         6.00    (#   2338:20  Preassigned    4.82, 6.42 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   69 VAL  QG1          77 PHE  HB2         6.00    (#   2339:20  Double Ambig)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1037,1038,1039,
 &end
#
#   69 VAL  QG1          74 PHE  HB3         4.50    (#   2340:20  Double Ambig)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   33 LEU  QD1          74 PHE  HB2         6.00    (#   2341:20  Preassigned    4.82, 6.42 A)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#   12 ILE  QG2          15 PHE  HB3         4.50    (#   2344:20  Preassigned    3.97, 5.41 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 170, 171, 172,
 &end
#
#   76 VAL  QG2          64 ASN  HB2         4.50    (#   2345:20  Double Ambig)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1154,1155,1156,
 &end
#
#   61 LEU  QD1          77 PHE  HB2         3.50    (#   2346:20  Preassigned    2.15, 4.01 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 939, 940, 941,
 &end
#
#   61 LEU  QD1          77 PHE  HB3         4.50    (#   2347:20  Preassigned    2.28, 3.99 A)
 &rst
  ixpk= 2347, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 939, 940, 941,
 &end
#
#   61 LEU  QD1          74 PHE  HB2         6.00    (#   2348:20  Double Ambig)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 939, 940, 941,
 &end
#
#   11 ILE  QG1          11 ILE  HB          3.50    (#   2368:20  Preassigned    2.25, 2.47 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 155, 156,
 &end
#
#   41 LEU  QD1          44 PHE  QB          4.50    (#   2370:20  Preassigned    2.49, 6.28 A)
 &rst
  ixpk= 2370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 625, 626, 627,
 igr2= 660, 661,
 &end
#
#   11 ILE  QD           11 ILE  HB          3.50    (#   2371:20  Preassigned    2.30, 3.70 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 158, 159, 160,
 &end
#
#   28 LEU  QQD          32 GLU  QG          6.00    (#   2374:20  Preassigned    2.35, 5.31 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2= 463, 464,
 &end
#
#   75 ILE  QD           11 ILE  HB          4.50    (#   2376:20  Preassigned    2.27, 3.69 A)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138,1139,1140,
 &end
#
#   75 ILE  QD           12 ILE  HB          4.50    (#   2377:20  Unique         4.23, 5.49 A)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138,1139,1140,
 &end
#
#   34 LYS  HG3          38 GLU  QG          4.50    (#   2378:20  Preassigned    4.31, 6.18 A)
 &rst
  ixpk= 2378, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 571, 572,
 &end
#
#   29 THR  QG           32 GLU  QG          4.50    (#   2379:20  Double Ambig)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 419, 420, 421,
 igr2= 463, 464,
 &end
#
#   69 VAL  QG1          73 GLU  HG2         4.50    (#   2381:20  Preassigned    3.18, 5.73 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1037,1038,1039,
 &end
#
#   45 LEU  QQD          38 GLU  QG          4.50    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 571, 572,
 &end
#
#   81 ILE  QG2          81 ILE  HB          3.50    (#   2385:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1222,1223,1224,
 &end
#
#   78 VAL  QG2          81 ILE  HB          6.00    (#   2387:20  Preassigned    3.48, 4.98 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1190,1191,1192,
 &end
#
#   11 ILE  QG1          75 ILE  HB          6.00    (#   2394:20  Preassigned    4.45, 5.99 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 155, 156,
 &end
#
#   33 LEU  QD1          28 LEU  HG          4.50    (#   2395:20  Preassigned    3.75, 4.54 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 482,
 &end
#
#   75 ILE  QG1          75 ILE  HB          3.50    (#   2396:20  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1135,1136,
 &end
#
#   75 ILE  QG2          75 ILE  HB          3.50    (#   2398:20  Preassigned    2.23, 2.66 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1131,1132,1133,
 &end
#
#   33 LEU  QD1          30 LYS  QG          6.00    (#   2405:20  Double Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 480, 481, 482,
 igr2= 434, 435,
 &end
#
#   29 THR  QG           68 GLN  HG2         4.50    (#   2408:20  Preassigned    4.15, 4.74 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 419, 420, 421,
 &end
#
#   29 THR  QG           68 GLN  HG3         4.50    (#   2409:20  Preassigned    4.99, 5.77 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 419, 420, 421,
 &end
#
#   27 THR  QG           68 GLN  HG2         4.50    (#   2411:20  Preassigned    3.43, 5.13 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   27 THR  QG           68 GLN  HG3         4.50    (#   2412:20  Preassigned    4.52, 5.84 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 386, 387, 388,
 &end
#
#   69 VAL  QG1          69 VAL  HB          3.50    (#   2413:20  Preassigned    2.37, 2.64 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1037,1038,1039,
 &end
#
#   69 VAL  QG2          69 VAL  HB          3.50    (#   2415:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1041,1042,1043,
 &end
#
#   61 LEU  QD1          69 VAL  HB          4.50    (#   2418:20  Preassigned    3.61, 4.84 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 939, 940, 941,
 &end
#
#   36 LEU  QD2          39 LYS  QB          6.00    (#   2421:20  Preassigned    2.84, 6.01 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 541, 542, 543,
 igr2= 583, 584,
 &end
#
#   36 LEU  HB3          39 LYS  QB          4.50    (#   2423:20  Preassigned    4.43, 5.39 A)
 &rst
  ixpk= 2423, nxpk= 20, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 583, 584,
 &end
#
#   54 VAL  QG2          37 MET  HG2         4.50    (#   2430:20  Double Ambig)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 818, 819, 820,
 &end
#
#   36 LEU  QD1          37 MET  HG2         4.50    (#   2434:20  Preassigned    4.57, 5.71 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 537, 538, 539,
 &end
#
#   33 LEU  QD2          37 MET  HG3         4.50    (#   2435:20  Double Ambig)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#   34 LYS  HG3          37 MET  HG2         6.00    (#   2437:20  Double Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat= 498, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 VAL  QQG          14 VAL  HB          3.50    (#   2439:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 201, 202, 203, 205, 206, 207,
 &end
#
#   54 VAL  QG1          54 VAL  HB          3.50    (#   2440:20  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 814, 815, 816,
 &end
#
#   36 LEU  QD2          14 VAL  HB          6.00    (#   2443:20  Unique         3.80, 6.36 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 541, 542, 543,
 &end
#
#   41 LEU  QD1          40 GLU  QG          4.50    (#   2447:20  Unique         2.15, 6.24 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 625, 626, 627,
 igr2= 608, 609,
 &end
#
#   54 VAL  QG2          34 LYS  HB2         3.50    (#   2448:20  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 818, 819, 820,
 &end
#
#   78 VAL  QG1          78 VAL  HB          3.50    (#   2452:20  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1186,1187,1188,
 &end
#
#   76 VAL  QG2          76 VAL  HB          3.50    (#   2453:20  Preassigned    2.35, 2.67 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1154,1155,1156,
 &end
#
#   75 ILE  QD           78 VAL  HB          3.50    (#   2455:20  Preassigned    2.24, 2.64 A)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1138,1139,1140,
 &end
#
#    5 GLU  HG3           1 MET  QG          6.00    (#   2456:20  Preassigned    5.65, 6.99 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  11,  12,
 &end
#
#   11 ILE  QG1           8 MET  HG3         6.00    (#   2458:20  Preassigned    2.36, 5.01 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 155, 156,
 &end
#
#   36 LEU  QD1          40 GLU  QG          4.50    (#   2461:20  Preassigned    2.31, 4.58 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 537, 538, 539,
 igr2= 608, 609,
 &end
#
#   27 THR  QG           68 GLN  QB          3.50    (#   2463:20  Preassigned    2.07, 3.79 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 386, 387, 388,
 igr2=1018,1019,
 &end
#
#   36 LEU  QD1          40 GLU  QB          4.50    (#   2465:20  Preassigned    3.65, 6.32 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 537, 538, 539,
 igr2= 605, 606,
 &end
#
#   36 LEU  QD2          40 GLU  QB          4.50    (#   2466:20  Preassigned    3.74, 5.88 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 541, 542, 543,
 igr2= 605, 606,
 &end
#
#   69 VAL  QG2          73 GLU  HB2         3.50    (#   2470:20  Double Ambig)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1041,1042,1043,
 &end
#
#   54 VAL  QG1          34 LYS  QD          3.50    (#   2481:20  Double Ambig)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 814, 815, 816,
 igr2= 500, 501,
 &end
#
#   33 LEU  QD1          33 LEU  HG          3.50    (#   2494:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 480, 481, 482,
 &end
#
#   69 VAL  QG2          58 LEU  HG          3.50    (#   2497:20  Preassigned    2.24, 2.66 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1041,1042,1043,
 &end
#
#   45 LEU  QQD          57 LEU  HG          4.50    (#   2498:20  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   94 LEU  QD2          94 LEU  HG          3.50    (#   2499:20  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1432,1433,1434,
 &end
#
#   45 LEU  QQD          45 LEU  HG          3.50    (#   2500:20  Preassigned    2.29, 2.64 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   75 ILE  QD           75 ILE  QG1         3.50    (#   2501:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1138,1139,1140,
 igr2=1135,1136,
 &end
#
#   33 LEU  QD2          33 LEU  HG          3.50    (#   2508:20  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 484, 485, 486,
 &end
#
#   61 LEU  QD2          61 LEU  HG          6.00    (#   2511:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 943, 944, 945,
 &end
#
#   61 LEU  QD1          61 LEU  HG          6.00    (#   2514:20  Preassigned    2.13, 2.61 A)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 939, 940, 941,
 &end
#
#   74 PHE  HE1          78 VAL  QG2         4.50    (#   2632:20  Preassigned    2.40, 4.53 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#    2 THR  HB            2 THR  QG          3.50    (#   2643:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  27,  28,  29,
 &end
#
#   27 THR  HA           27 THR  QG          4.50    (#   2648:20  Preassigned    2.43, 3.24 A)
 &rst
  ixpk= 2648, nxpk= 20, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 386, 387, 388,
 &end
#
#   49 LYS  HA           54 VAL  QG1         4.50    (#   2711:20  Double Ambig)
 &rst
  ixpk= 2711, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 814, 815, 816,
 &end
#
#   54 VAL  HA           54 VAL  QG1         4.50    (#   2714:20  Preassigned    2.48, 3.27 A)
 &rst
  ixpk= 2714, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 814, 815, 816,
 &end
#
#   78 VAL  HA           78 VAL  QG2         4.50    (#   2715:20  Preassigned    2.13, 2.83 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   54 VAL  HB           54 VAL  QG1         4.50    (#   2720:20  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 2720, nxpk= 20, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 814, 815, 816,
 &end
#
#   76 VAL  HB           76 VAL  QG1         3.50    (#   2723:20  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1150,1151,1152,
 &end
#
#   78 VAL  HB           78 VAL  QG2         3.50    (#   2725:20  Preassigned    2.24, 2.64 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1190,1191,1192,
 &end
#
#   58 LEU  HB3          54 VAL  QG1         4.50    (#   2726:20  Preassigned    5.01, 6.29 A)
 &rst
  ixpk= 2726, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 814, 815, 816,
 &end
#
#   58 LEU  HA           58 LEU  QD2         3.50    (#   2727:20  Preassigned    3.96, 4.51 A)
 &rst
  ixpk= 2727, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 890, 891, 892,
 &end
#
#   61 LEU  HA           61 LEU  QD2         4.50    (#   2728:20  Preassigned    3.20, 4.35 A)
 &rst
  ixpk= 2728, nxpk= 20, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 943, 944, 945,
 &end
#
#   75 ILE  HA           78 VAL  QG2         4.50    (#   2729:20  Preassigned    3.46, 4.63 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   61 LEU  HG           61 LEU  QD2         3.50    (#   2734:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2734, nxpk= 20, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 943, 944, 945,
 &end
#
#   58 LEU  HG           58 LEU  QD2         3.50    (#   2735:20  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2735, nxpk= 20, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 890, 891, 892,
 &end
#
#   81 ILE  HB           78 VAL  QG2         4.50    (#   2736:20  Preassigned    3.48, 4.98 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   59 LYS  QB           61 LEU  QD2         4.50    (#   2737:20  Preassigned    3.75, 5.04 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 900, 901,
 igr2= 943, 944, 945,
 &end
#
#   30 LYS  HB3          29 THR  QG          4.50    (#   2739:20  Preassigned    4.36, 5.69 A)
 &rst
  ixpk= 2739, nxpk= 20, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 419, 420, 421,
 &end
#
#   34 LYS  QD           54 VAL  QG1         4.50    (#   2740:20  Double Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 500, 501,
 igr2= 814, 815, 816,
 &end
#
#   61 LEU  HB3          61 LEU  QD2         3.50    (#   2746:20  Preassigned    2.36, 3.20 A)
 &rst
  ixpk= 2746, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 943, 944, 945,
 &end
#
#   58 LEU  HB3          58 LEU  QD2         3.50    (#   2747:20  Preassigned    2.21, 2.88 A)
 &rst
  ixpk= 2747, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 890, 891, 892,
 &end
#
#    2 THR  HA            2 THR  QG          4.50    (#   2748:20  Preassigned    2.46, 3.54 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  27,  28,  29,
 &end
#
#   69 VAL  HA           69 VAL  QG1         4.50    (#   2749:20  Preassigned    2.53, 3.25 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1037,1038,1039,
 &end
#
#    1 MET  HA            2 THR  QG          6.00    (#   2750:20  Preassigned    3.22, 4.72 A)
 &rst
  ixpk= 2750, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  27,  28,  29,
 &end
#
#   25 THR  HA           25 THR  QG          3.50    (#   2751:20  Preassigned    2.48, 3.34 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 355, 356, 357,
 &end
#
#    1 MET  HA            2 THR  QG          6.00    (#   2752:20  Preassigned    3.22, 4.72 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  27,  28,  29,
 &end
#
#   25 THR  HB           25 THR  QG          3.50    (#   2756:20  Double Ambig)
 &rst
  ixpk= 2756, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 355, 356, 357,
 &end
#
#   30 LYS  HA           29 THR  QG          4.50    (#   2757:20  Preassigned    4.86, 5.85 A)
 &rst
  ixpk= 2757, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 419, 420, 421,
 &end
#
#   54 VAL  HA           54 VAL  QG2         4.50    (#   2758:20  Preassigned    2.26, 3.05 A)
 &rst
  ixpk= 2758, nxpk= 20, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 818, 819, 820,
 &end
#
#   75 ILE  HA           78 VAL  QG1         6.00    (#   2761:20  Preassigned    3.63, 4.45 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1186,1187,1188,
 &end
#
#   60 ASP  HB2          61 LEU  QD2         6.00    (#   2763:20  Double Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 943, 944, 945,
 &end
#
#   62 ASP  QB           61 LEU  QD2         6.00    (#   2766:20  Preassigned    4.59, 6.37 A)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 953, 954,
 igr2= 943, 944, 945,
 &end
#
#   32 GLU  QG           29 THR  QG          3.50    (#   2768:20  Preassigned    4.15, 4.74 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 463, 464,
 igr2= 419, 420, 421,
 &end
#
#    5 GLU  HB2           2 THR  QG          4.50    (#   2770:20  Preassigned    3.06, 4.53 A)
 &rst
  ixpk= 2770, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  27,  28,  29,
 &end
#
#   69 VAL  HB           69 VAL  QG1         3.50    (#   2771:20  Preassigned    2.37, 2.64 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1037,1038,1039,
 &end
#
#   61 LEU  HB3          69 VAL  QG1         4.50    (#   2777:20  Double Ambig)
 &rst
  ixpk= 2777, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1037,1038,1039,
 &end
#
#   27 THR  HB           27 THR  QG          3.50    (#   2779:20  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 386, 387, 388,
 &end
#
#   45 LEU  HA           54 VAL  QG2         6.00    (#   2780:20  Preassigned    4.49, 6.26 A)
 &rst
  ixpk= 2780, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 818, 819, 820,
 &end
#
#   82 THR  HB           82 THR  QG          4.50    (#   2781:20  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   82 THR  HA           82 THR  QG          4.50    (#   2783:20  Preassigned    2.53, 3.35 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   70 ASP  HB3          27 THR  QG          6.00    (#   2784:20  Preassigned    2.90, 5.12 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 386, 387, 388,
 &end
#
#   54 VAL  HB           54 VAL  QG2         3.50    (#   2786:20  Preassigned    2.30, 2.66 A)
 &rst
  ixpk= 2786, nxpk= 20, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 818, 819, 820,
 &end
#
#   73 GLU  HB3          69 VAL  QG1         4.50    (#   2791:20  Preassigned    2.07, 3.79 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1037,1038,1039,
 &end
#
#   78 VAL  HB           78 VAL  QG1         3.50    (#   2794:20  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1186,1187,1188,
 &end
#
#   69 VAL  HA           69 VAL  QG2         6.00    (#   2795:20  Preassigned    2.48, 3.14 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1041,1042,1043,
 &end
#
#   30 LYS  HA           69 VAL  QG2         6.00    (#   2797:20  Preassigned    4.62, 6.00 A)
 &rst
  ixpk= 2797, nxpk= 20, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1041,1042,1043,
 &end
#
#   76 VAL  HA           76 VAL  QG2         4.50    (#   2798:20  Preassigned    2.41, 3.26 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1154,1155,1156,
 &end
#
#   69 VAL  HB           69 VAL  QG2         3.50    (#   2801:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1041,1042,1043,
 &end
#
#   76 VAL  HB           76 VAL  QG2         3.50    (#   2802:20  Preassigned    2.35, 2.67 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1154,1155,1156,
 &end
#
#   61 LEU  HB3          69 VAL  QG2         3.50    (#   2804:20  Preassigned    2.85, 5.25 A)
 &rst
  ixpk= 2804, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1041,1042,1043,
 &end
#
#    7 ALA  HA            7 ALA  QB          4.50    (#   2819:20  Preassigned    2.21, 2.64 A)
 &rst
  ixpk= 2819, nxpk= 20, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  98,  99, 100,
 &end
#
#   67 ALA  HA           67 ALA  QB          3.50    (#   2820:20  Preassigned    2.43, 2.67 A)
 &rst
  ixpk= 2820, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1008,1009,1010,
 &end
#
#   84 ALA  HA           84 ALA  QB          3.50    (#   2821:20  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2821, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1264,1265,1266,
 &end
#
#    3 GLU  HA            7 ALA  QB          4.50    (#   2822:20  Preassigned    2.95, 5.52 A)
 &rst
  ixpk= 2822, nxpk= 20, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  98,  99, 100,
 &end
#
#   64 ASN  HB2          63 ALA  QB          4.50    (#   2824:20  Double Ambig)
 &rst
  ixpk= 2824, nxpk= 20, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 &end
#
#   58 LEU  HG           67 ALA  QB          4.50    (#   2831:20  Preassigned    4.50, 6.18 A)
 &rst
  ixpk= 2831, nxpk= 20, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1008,1009,1010,
 &end
#
#   53 ALA  HA           53 ALA  QB          3.50    (#   2836:20  Preassigned    2.30, 2.61 A)
 &rst
  ixpk= 2836, nxpk= 20, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 802, 803, 804,
 &end
#
#   81 ILE  HA           84 ALA  QB          4.50    (#   2837:20  Preassigned    2.12, 3.17 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1264,1265,1266,
 &end
#
#   57 LEU  HB2          53 ALA  QB          4.50    (#   2844:20  Preassigned    4.93, 6.01 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 802, 803, 804,
 &end
#
#    6 ALA  HA            6 ALA  QB          3.50    (#   2850:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 2850, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  88,  89,  90,
 &end
#
#   80 ALA  HA           80 ALA  QB          3.50    (#   2853:20  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 2853, nxpk= 20, iat=1208,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1210,1211,1212,
 &end
#
#   79 ALA  HA           79 ALA  QB          3.50    (#   2854:20  Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1200,1201,1202,
 &end
#
#    1 MET  QG            6 ALA  QB          6.00    (#   2861:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  11,  12,
 igr2=  88,  89,  90,
 &end
#
#    5 GLU  HB2           6 ALA  QB          4.50    (#   2863:20  Preassigned    4.16, 5.55 A)
 &rst
  ixpk= 2863, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  88,  89,  90,
 &end
#
#   13 ASP  HA           12 ILE  QG2         6.00    (#   2871:20  Preassigned    3.53, 4.77 A)
 &rst
  ixpk= 2871, nxpk= 20, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 170, 171, 172,
 &end
#
#    9 GLY  HA2          12 ILE  QG2         4.50    (#   2875:20  Preassigned    2.98, 4.71 A)
 &rst
  ixpk= 2875, nxpk= 20, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 170, 171, 172,
 &end
#
#   12 ILE  HA           12 ILE  QG2         4.50    (#   2878:20  Preassigned    2.75, 3.47 A)
 &rst
  ixpk= 2878, nxpk= 20, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 170, 171, 172,
 &end
#
#   72 SER  HA           75 ILE  QG2         4.50    (#   2879:20  Unique         2.20, 2.98 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1131,1132,1133,
 &end
#
#   76 VAL  HA           75 ILE  QG2         4.50    (#   2880:20  Preassigned    3.38, 4.58 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1131,1132,1133,
 &end
#
#   75 ILE  HA           75 ILE  QG2         4.50    (#   2881:20  Preassigned    3.64, 3.93 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1131,1132,1133,
 &end
#
#   12 ILE  HB           12 ILE  QG2         4.50    (#   2886:20  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2886, nxpk= 20, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 170, 171, 172,
 &end
#
#   75 ILE  HB           75 ILE  QG2         4.50    (#   2891:20  Preassigned    2.23, 2.66 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1131,1132,1133,
 &end
#
#    8 MET  HA           11 ILE  QD          6.00    (#   2919:20  Preassigned    2.10, 4.36 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 158, 159, 160,
 &end
#
#   11 ILE  HA           11 ILE  QD          6.00    (#   2923:20  Preassigned    2.77, 4.18 A)
 &rst
  ixpk= 2923, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 158, 159, 160,
 &end
#
#    8 MET  HB3          11 ILE  QD          4.50    (#   2932:20  Preassigned    4.45, 6.34 A)
 &rst
  ixpk= 2932, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 158, 159, 160,
 &end
#
#   11 ILE  QG1          78 VAL  QG2         4.50    (#   3048:20  Double Ambig)
 &rst
  ixpk= 3048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 155, 156,
 igr2=1190,1191,1192,
 &end
#
#   61 LEU  QD1          69 VAL  QG1         3.50    (#   3069:20  Preassigned    2.09, 3.71 A)
 &rst
  ixpk= 3069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 939, 940, 941,
 igr2=1037,1038,1039,
 &end
#
#   11 ILE  QD            7 ALA  QB          4.50    (#   3089:20  Preassigned    2.81, 5.45 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 158, 159, 160,
 igr2=  98,  99, 100,
 &end
#
#   54 VAL  QG2          53 ALA  QB          3.50    (#   3090:20  Preassigned    4.02, 6.13 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 818, 819, 820,
 igr2= 802, 803, 804,
 &end
#
#   75 ILE  QD           11 ILE  QD          4.50    (#   3139:20  Preassigned    2.66, 5.33 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1138,1139,1140,
 igr2= 158, 159, 160,
 &end
#
#   34 LYS  HB3          31 GLY  QA          4.50    (#   3212:20  Preassigned    2.32, 4.07 A)
 &rst
  ixpk= 3212, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   17 ARG  HG3          17 ARG  HD3         4.50    (#   3213:20  Preassigned    2.36, 2.83 A)
 &rst
  ixpk= 3213, nxpk= 20, iat= 250, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HB           77 PHE  HB3         6.00    (#   3214:20  Preassigned    4.25, 4.85 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=1184,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 THR  HB           82 THR  HA          4.50    (#   3215:20  Unique         2.37, 2.57 A)
 &rst
  ixpk= 3215, nxpk= 20, iat=1239,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  QG           28 LEU  HB3         6.00    (#   3216:20  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 3216, nxpk= 20, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 463, 464,
 &end
#
#   94 LEU  QD1          94 LEU  HA          4.50    (#   3217:20  Preassigned    2.37, 4.05 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,1421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1428,1429,1430,
 &end
#
#   59 LYS  HG2          62 ASP  QB          4.50    (#   3220:20  Preassigned    4.04, 4.81 A)
 &rst
  ixpk= 3220, nxpk= 20, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 953, 954,
 &end
#
#   36 LEU  HB3          37 MET  HG2         6.00    (#   3221:20  Preassigned    2.57, 3.64 A)
 &rst
  ixpk= 3221, nxpk= 20, iat= 533, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ALA  QB            1 MET  QG          4.50    (#   3223:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,  90,
 igr2=  11,  12,
 &end
#
#   33 LEU  QD1          37 MET  HG2         6.00    (#   3225:20  Double Ambig)
 &rst
  ixpk= 3225, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 480, 481, 482,
 &end
#
#    5 GLU  HB3           2 THR  QG          3.50    (#   3228:20  Preassigned    3.51, 5.62 A)
 &rst
  ixpk= 3228, nxpk= 20, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  27,  28,  29,
 &end
#
#   66 ASP  HB3          67 ALA  QB          6.00    (#   3231:20  Preassigned    4.17, 6.26 A)
 &rst
  ixpk= 3231, nxpk= 20, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1008,1009,1010,
 &end
#
#   75 ILE  HB           76 VAL  QG2         4.50    (#   3232:20  Double Ambig)
 &rst
  ixpk= 3232, nxpk= 20, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1154,1155,1156,
 &end
#
#    3 GLU  HG3           3 GLU  HA          3.50    (#   3233:20  Preassigned    2.31, 2.90 A)
 &rst
  ixpk= 3233, nxpk= 20, iat=  43,  37, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LEU  HB2          64 ASN  HB3         4.50    (#   3235:20  Unique         2.23, 4.93 A)
 &rst
  ixpk= 3235, nxpk= 20, iat= 934, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  QG2          37 MET  HG3         3.50    (#   3236:20  Double Ambig)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 818, 819, 820,
 &end
#
#   45 LEU  HB3          42 PRO  HA          4.50    (#   3237:20  Preassigned    5.42, 6.68 A)
 &rst
  ixpk= 3237, nxpk= 20, iat= 681, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  HN          107 ILE  HA          6.00    (#   3761:20  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  122 THR  HA          122 THR  HB          4.50    (#   3805:20  Preassigned    2.27, 2.40 A)
 &rst
  ixpk= 3805, nxpk= 20, iat=1841,1843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HA          122 THR  HB          6.00    (#   3806:20  Preassigned    3.11, 3.43 A)
 &rst
  ixpk= 3806, nxpk= 20, iat=2475,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HA          122 THR  HB          6.00    (#   3807:20  Preassigned    3.11, 3.43 A)
 &rst
  ixpk= 3807, nxpk= 20, iat=2475,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  171 VAL  HN          171 VAL  HA          6.00    (#   3831:20  Preassigned    2.86, 2.91 A)
 &rst
  ixpk= 3831, nxpk= 20, iat=2603,2605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         107 ILE  HA          4.50    (#   3838:20  Preassigned    2.29, 3.76 A)
 &rst
  ixpk= 3838, nxpk= 20, iat=2574,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  QE          110 PHE  HA          6.00    (#   3854:20  Preassigned    4.41, 5.23 A)
 &rst
  ixpk= 3854, nxpk= 20, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1680,1684,
 &end
#
#  169 PHE  HE1         110 PHE  HA          6.00    (#   3855:20  Preassigned    5.03, 5.38 A)
 &rst
  ixpk= 3855, nxpk= 20, iat=2574,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         170 ILE  HA          6.00    (#   3857:20  Preassigned    3.66, 4.30 A)
 &rst
  ixpk= 3857, nxpk= 20, iat=2574,2586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         169 PHE  HA          4.50    (#   3873:20  Preassigned    5.54, 5.80 A)
 &rst
  ixpk= 3873, nxpk= 20, iat=2574,2566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  124 THR  HB          124 THR  HA          4.50    (#   3878:20  Preassigned    2.46, 2.48 A)
 &rst
  ixpk= 3878, nxpk= 20, iat=1876,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HA          124 THR  HA          4.50    (#   3879:20  Preassigned    2.20, 2.43 A)
 &rst
  ixpk= 3879, nxpk= 20, iat=2475,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 SER  HB2         122 THR  HB          6.00    (#   3941:20  Double         0.00, 0.00)
 &rst
  ixpk= 3941, nxpk= 20, iat=1801,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HG2         122 THR  HB          6.00    (#   3943:20  Preassigned    2.62, 3.99 A)
 &rst
  ixpk= 3943, nxpk= 20, iat=2480,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HG3         122 THR  HB          6.00    (#   3945:20  Preassigned    4.28, 5.19 A)
 &rst
  ixpk= 3945, nxpk= 20, iat=2481,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  QB          122 THR  HB          4.50    (#   3946:20  Preassigned    2.60, 3.48 A)
 &rst
  ixpk= 3946, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2477,2478,
 &end
#
#   97 THR  HA           97 THR  HB          4.50    (#   3966:20  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 3966, nxpk= 20, iat=1482,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  181 HIS  HB3         187 THR  HB          6.00    (#   3975:20  Unique         2.44, 5.78 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=2745,2861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  184 PHE  QB          187 THR  HB          6.00    (#   3976:20  Double         0.00, 0.00)
 &rst
  ixpk= 3976, nxpk= 20, iat=  -1,2861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2804,2805,
 &end
#
#  174 ALA  HA          177 THR  HB          3.50    (#   3998:20  Preassigned    2.38, 3.76 A)
 &rst
  ixpk= 3998, nxpk= 20, iat=2657,2698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  177 THR  HA          177 THR  HB          4.50    (#   4000:20  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 4000, nxpk= 20, iat=2696,2698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HB          177 THR  HB          6.00    (#   4001:20  Preassigned    3.99, 5.26 A)
 &rst
  ixpk= 4001, nxpk= 20, iat=2679,2698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  174 ALA  QB          177 THR  HB          6.00    (#   4003:20  Preassigned    4.31, 6.11 A)
 &rst
  ixpk= 4003, nxpk= 20, iat=  -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2659,2660,2661,
 &end
#
#  112 ARG  HA          109 VAL  HA          6.00    (#   4004:20  Preassigned    4.27, 5.05 A)
 &rst
  ixpk= 4004, nxpk= 20, iat=1703,1656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HD2         109 VAL  HA          4.50    (#   4008:20  Preassigned    2.33, 3.30 A)
 &rst
  ixpk= 4008, nxpk= 20, iat=1711,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HB          109 VAL  HA          4.50    (#   4009:20  Preassigned    2.56, 2.88 A)
 &rst
  ixpk= 4009, nxpk= 20, iat=1658,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HB2         109 VAL  HA          4.50    (#   4010:20  Preassigned    2.43, 3.46 A)
 &rst
  ixpk= 4010, nxpk= 20, iat=1705,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HB3         109 VAL  HA          4.50    (#   4011:20  Preassigned    3.95, 4.60 A)
 &rst
  ixpk= 4011, nxpk= 20, iat=1706,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HG2         109 VAL  HA          4.50    (#   4012:20  Preassigned    2.02, 3.30 A)
 &rst
  ixpk= 4012, nxpk= 20, iat=1708,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  HB          177 THR  HA          4.50    (#   4015:20  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=2698,2696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HA          137 PRO  HA          6.00    (#   4017:20  Preassigned    2.42, 4.50 A)
 &rst
  ixpk= 4017, nxpk= 20, iat=2025,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  174 ALA  HA          171 VAL  HA          6.00    (#   4018:20  Preassigned    5.03, 5.37 A)
 &rst
  ixpk= 4018, nxpk= 20, iat=2657,2605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  137 PRO  HD2         137 PRO  HA          6.00    (#   4019:20  Preassigned    3.51, 3.67 A)
 &rst
  ixpk= 4019, nxpk= 20, iat=2095,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  133 GLU  QG          137 PRO  HA          6.00    (#   4026:20  Double         0.00, 0.00)
 &rst
  ixpk= 4026, nxpk= 20, iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2030,2031,
 &end
#
#  109 VAL  HB          106 ILE  HA          4.50    (#   4027:20  Preassigned    2.53, 2.91 A)
 &rst
  ixpk= 4027, nxpk= 20, iat=1658,1606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HB          173 VAL  HA          3.50    (#   4031:20  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 4031, nxpk= 20, iat=2679,2641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  173 VAL  HB          173 VAL  HA          4.50    (#   4033:20  Preassigned    2.93, 2.97 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=2643,2641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  174 ALA  QB          171 VAL  HA          4.50    (#   4036:20  Preassigned    2.10, 3.56 A)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1,2605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2659,2660,2661,
 &end
#
#  137 PRO  HD3         137 PRO  HA          6.00    (#   4043:20  Preassigned    2.29, 2.94 A)
 &rst
  ixpk= 4043, nxpk= 20, iat=2096,2104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 PHE  HB2         107 ILE  HA          4.50    (#   4044:20  Preassigned    3.13, 3.82 A)
 &rst
  ixpk= 4044, nxpk= 20, iat=1674,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB3         107 ILE  HA          4.50    (#   4047:20  Preassigned    2.09, 2.61 A)
 &rst
  ixpk= 4047, nxpk= 20, iat=1675,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HB2         137 PRO  HA          4.50    (#   4049:20  Preassigned    2.35, 2.76 A)
 &rst
  ixpk= 4049, nxpk= 20, iat=2101,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 VAL  HB          149 VAL  HA          4.50    (#   4050:20  Preassigned    2.97, 3.01 A)
 &rst
  ixpk= 4050, nxpk= 20, iat=2271,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HB3         137 PRO  HA          4.50    (#   4053:20  Preassigned    2.32, 2.63 A)
 &rst
  ixpk= 4053, nxpk= 20, iat=2102,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  152 LEU  HB2         149 VAL  HA          4.50    (#   4054:20  Preassigned    2.50, 3.73 A)
 &rst
  ixpk= 4054, nxpk= 20, iat=2321,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HB2         137 PRO  HA          4.50    (#   4055:20  Preassigned    3.75, 5.28 A)
 &rst
  ixpk= 4055, nxpk= 20, iat=2139,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ILE  HB          107 ILE  HA          3.50    (#   4056:20  Preassigned    2.99, 3.00 A)
 &rst
  ixpk= 4056, nxpk= 20, iat=1627,1625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  152 LEU  HG          149 VAL  HA          4.50    (#   4057:20  Preassigned    2.69, 4.01 A)
 &rst
  ixpk= 4057, nxpk= 20, iat=2324,2269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HG2         149 VAL  HA          6.00    (#   4063:20  Double         0.00, 0.00)
 &rst
  ixpk= 4063, nxpk= 20, iat=2013,2269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 GLU  HB3         119 SER  HB3         4.50    (#   4075:20  Double         0.00, 0.00)
 &rst
  ixpk= 4075, nxpk= 20, iat=1780,1802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 SER  HA          119 SER  HB2         3.50    (#   4079:20  Preassigned    2.48, 2.91 A)
 &rst
  ixpk= 4079, nxpk= 20, iat=1799,1801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  HA          116 SER  QB          3.50    (#   4080:20  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 4080, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1768,1769,
 &end
#
#  145 ASP  HB3         142 SER  QB          6.00    (#   4091:20  Preassigned    4.74, 6.64 A)
 &rst
  ixpk= 4091, nxpk= 20, iat=2216,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2175,2176,
 &end
#
#  117 GLU  HB2         116 SER  QB          4.50    (#   4097:20  Preassigned    3.64, 5.44 A)
 &rst
  ixpk= 4097, nxpk= 20, iat=1779,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1768,1769,
 &end
#
#  121 GLN  HB3         114 SER  HB2         6.00    (#   4098:20  Double         0.00, 0.00)
 &rst
  ixpk= 4098, nxpk= 20, iat=1827,1750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 GLU  HB3         116 SER  QB          4.50    (#   4099:20  Double         0.00, 0.00)
 &rst
  ixpk= 4099, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1768,1769,
 &end
#
#  114 SER  HA          114 SER  HB2         4.50    (#   4105:20  Preassigned    2.26, 2.51 A)
 &rst
  ixpk= 4105, nxpk= 20, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HA          114 SER  HB3         6.00    (#   4106:20  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 4106, nxpk= 20, iat=1748,1751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  114 SER  HA          110 PHE  HA          4.50    (#   4107:20  Double         0.00, 0.00)
 &rst
  ixpk= 4107, nxpk= 20, iat=1748,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 SER  HB2         114 SER  HB2         4.50    (#   4108:20  Preassigned    3.85, 5.26 A)
 &rst
  ixpk= 4108, nxpk= 20, iat=1801,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  166 PHE  QB          114 SER  HB2         6.00    (#   4124:20  Unique         3.97, 6.97 A)
 &rst
  ixpk= 4124, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2522,2523,
 &end
#
#  121 GLN  QG          114 SER  HB2         6.00    (#   4125:20  Preassigned    2.58, 4.37 A)
 &rst
  ixpk= 4125, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1829,1830,
 &end
#
#  110 PHE  HB2         110 PHE  HA          4.50    (#   4139:20  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 4139, nxpk= 20, iat=1674,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB3         110 PHE  HA          4.50    (#   4140:20  Preassigned    2.26, 2.79 A)
 &rst
  ixpk= 4140, nxpk= 20, iat=1675,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 PHE  HB3         170 ILE  HA          6.00    (#   4142:20  Preassigned    6.16, 6.54 A)
 &rst
  ixpk= 4142, nxpk= 20, iat=1675,2586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HB3         110 PHE  HA          6.00    (#   4145:20  Preassigned    2.15, 3.77 A)
 &rst
  ixpk= 4145, nxpk= 20, iat=1730,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  176 ILE  HB          176 ILE  HA          4.50    (#   4147:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 4147, nxpk= 20, iat=2679,2677, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HB2         110 PHE  HA          6.00    (#   4148:20  Preassigned    4.55, 4.98 A)
 &rst
  ixpk= 4148, nxpk= 20, iat=1705,1672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  173 VAL  HB          170 ILE  HA          4.50    (#   4150:20  Preassigned    2.12, 2.56 A)
 &rst
  ixpk= 4150, nxpk= 20, iat=2643,2586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  HB          170 ILE  HA          4.50    (#   4152:20  Preassigned    2.47, 2.58 A)
 &rst
  ixpk= 4152, nxpk= 20, iat=2588,2586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  179 ALA  QB          176 ILE  HA          3.50    (#   4153:20  Preassigned    2.12, 3.17 A)
 &rst
  ixpk= 4153, nxpk= 20, iat=  -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2723,2724,2725,
 &end
#
#  166 PHE  QB          166 PHE  HA          4.50    (#   4163:20  Preassigned    2.25, 2.43 A)
 &rst
  ixpk= 4163, nxpk= 20, iat=  -1,2520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2522,2523,
 &end
#
#  184 PHE  QB          187 THR  HA          6.00    (#   4164:20  Unique         2.27, 5.23 A)
 &rst
  ixpk= 4164, nxpk= 20, iat=  -1,2859, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2804,2805,
 &end
#
#  121 GLN  QG          120 THR  HA          6.00    (#   4166:20  Preassigned    3.13, 4.88 A)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1829,1830,
 &end
#
#  186 LYS  QD          187 THR  HA          6.00    (#   4172:20  Double         0.00, 0.00)
 &rst
  ixpk= 4172, nxpk= 20, iat=  -1,2859, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2845,2846,
 &end
#
#  170 ILE  HB          166 PHE  HA          6.00    (#   4173:20  Preassigned    4.55, 4.86 A)
 &rst
  ixpk= 4173, nxpk= 20, iat=2588,2520, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  172 PHE  HB2         172 PHE  HA          3.50    (#   4176:20  Preassigned    2.21, 2.55 A)
 &rst
  ixpk= 4176, nxpk= 20, iat=2623,2621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  172 PHE  HB3         172 PHE  HA          3.50    (#   4178:20  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 4178, nxpk= 20, iat=2624,2621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  HB2         125 LYS  HA          3.50    (#   4182:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=1934,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 LYS  HB3         125 LYS  HA          3.50    (#   4185:20  Preassigned    2.51, 2.94 A)
 &rst
  ixpk= 4185, nxpk= 20, iat=1891,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 LYS  QG          125 LYS  HA          3.50    (#   4186:20  Preassigned    2.42, 2.79 A)
 &rst
  ixpk= 4186, nxpk= 20, iat=  -1,1888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1893,1894,
 &end
#
#  175 ALA  QB          172 PHE  HA          3.50    (#   4187:20  Preassigned    3.08, 4.25 A)
 &rst
  ixpk= 4187, nxpk= 20, iat=  -1,2621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2669,2670,2671,
 &end
#
#  169 PHE  HB2         169 PHE  HA          3.50    (#   4189:20  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 4189, nxpk= 20, iat=2568,2566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HB3         169 PHE  HA          3.50    (#   4190:20  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 4190, nxpk= 20, iat=2569,2566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HG3         124 THR  HA          6.00    (#   4194:20  Preassigned    2.72, 3.51 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=2481,1874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  125 LYS  QG          124 THR  HA          6.00    (#   4195:20  Preassigned    6.30, 6.58 A)
 &rst
  ixpk= 4195, nxpk= 20, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1893,1894,
 &end
#
#  122 THR  QG          122 THR  HB          4.50    (#   4218:20  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  187 THR  QG          187 THR  HB          3.50    (#   4229:20  Preassigned    2.33, 2.65 A)
 &rst
  ixpk= 4229, nxpk= 20, iat=  -1,2861, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2863,2864,2865,
 &end
#
#  120 THR  QG          120 THR  HB          3.50    (#   4232:20  Preassigned    2.36, 2.66 A)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,1812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1814,1815,1816,
 &end
#
#  177 THR  QG          177 THR  HB          4.50    (#   4241:20  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 4241, nxpk= 20, iat=  -1,2698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2700,2701,2702,
 &end
#
#  109 VAL  QQG         109 VAL  HA          3.50    (#   4245:20  Preassigned    2.21, 3.24 A)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  171 VAL  QG1         171 VAL  HA          3.50    (#   4250:20  Preassigned    2.33, 3.03 A)
 &rst
  ixpk= 4250, nxpk= 20, iat=  -1,2605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2609,2610,2611,
 &end
#
#  171 VAL  QG2         171 VAL  HA          3.50    (#   4252:20  Preassigned    2.41, 3.26 A)
 &rst
  ixpk= 4252, nxpk= 20, iat=  -1,2605, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2613,2614,2615,
 &end
#
#  173 VAL  QG2         173 VAL  HA          3.50    (#   4253:20  Preassigned    2.13, 2.83 A)
 &rst
  ixpk= 4253, nxpk= 20, iat=  -1,2641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2649,2650,2651,
 &end
#
#  149 VAL  QG1         149 VAL  HA          3.50    (#   4258:20  Preassigned    2.48, 3.27 A)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2273,2274,2275,
 &end
#
#  140 LEU  QQD         137 PRO  HA          4.50    (#   4259:20  Preassigned    3.68, 6.55 A)
 &rst
  ixpk= 4259, nxpk= 20, iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  177 THR  QG          177 THR  HA          3.50    (#   4260:20  Preassigned    2.53, 3.35 A)
 &rst
  ixpk= 4260, nxpk= 20, iat=  -1,2696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  107 ILE  QG2         107 ILE  HA          3.50    (#   4261:20  Preassigned    2.75, 3.47 A)
 &rst
  ixpk= 4261, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1629,1630,1631,
 &end
#
#  170 ILE  QG2         107 ILE  HA          4.50    (#   4262:20  Double         0.00, 0.00)
 &rst
  ixpk= 4262, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2590,2591,2592,
 &end
#
#  124 THR  QG          119 SER  HB3         4.50    (#   4277:20  Double         0.00, 0.00)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1878,1879,1880,
 &end
#
#  122 THR  QG          119 SER  HB3         3.50    (#   4278:20  Unique         2.57, 5.17 A)
 &rst
  ixpk= 4278, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1845,1846,1847,
 &end
#
#  122 THR  QG          119 SER  HB2         4.50    (#   4279:20  Double         0.00, 0.00)
 &rst
  ixpk= 4279, nxpk= 20, iat=  -1,1801, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  149 VAL  QG2         142 SER  QB          4.50    (#   4282:20  Double         0.00, 0.00)
 &rst
  ixpk= 4282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2277,2278,2279,
 igr2=2175,2176,
 &end
#
#  176 ILE  QD          176 ILE  HA          3.50    (#   4286:20  Double         0.00, 0.00)
 &rst
  ixpk= 4286, nxpk= 20, iat=  -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2688,2689,2690,
 &end
#
#  123 LEU  QQD         114 SER  HB2         4.50    (#   4288:20  Preassigned    3.13, 5.85 A)
 &rst
  ixpk= 4288, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  123 LEU  QQD         114 SER  HB3         4.50    (#   4289:20  Preassigned    2.82, 5.83 A)
 &rst
  ixpk= 4289, nxpk= 20, iat=  -1,1751, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  109 VAL  QQG         110 PHE  HA          4.50    (#   4290:20  Preassigned    3.59, 5.85 A)
 &rst
  ixpk= 4290, nxpk= 20, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  106 ILE  QG1         170 ILE  HA          6.00    (#   4291:20  Double         0.00, 0.00)
 &rst
  ixpk= 4291, nxpk= 20, iat=  -1,2586, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1614,1615,
 &end
#
#  176 ILE  QG2         176 ILE  HA          3.50    (#   4292:20  Double         0.00, 0.00)
 &rst
  ixpk= 4292, nxpk= 20, iat=  -1,2677, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2681,2682,2683,
 &end
#
#  170 ILE  QG1         170 ILE  HA          4.50    (#   4293:20  Preassigned    2.12, 3.15 A)
 &rst
  ixpk= 4293, nxpk= 20, iat=  -1,2586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2594,2595,
 &end
#
#  131 LEU  QD2         110 PHE  HA          4.50    (#   4294:20  Preassigned    2.40, 5.11 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2000,2001,2002,
 &end
#
#  170 ILE  QD          170 ILE  HA          3.50    (#   4295:20  Preassigned    3.46, 4.63 A)
 &rst
  ixpk= 4295, nxpk= 20, iat=  -1,2586, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2597,2598,2599,
 &end
#
#  120 THR  QG          120 THR  HA          4.50    (#   4298:20  Preassigned    2.48, 3.34 A)
 &rst
  ixpk= 4298, nxpk= 20, iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1814,1815,1816,
 &end
#
#  164 VAL  QG1         166 PHE  HA          6.00    (#   4300:20  Double         0.00, 0.00)
 &rst
  ixpk= 4300, nxpk= 20, iat=  -1,2520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2496,2497,2498,
 &end
#
#  187 THR  QG          187 THR  HA          4.50    (#   4301:20  Preassigned    2.36, 3.61 A)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1,2859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2863,2864,2865,
 &end
#
#  170 ILE  QG2         166 PHE  HA          6.00    (#   4305:20  Preassigned    5.26, 6.59 A)
 &rst
  ixpk= 4305, nxpk= 20, iat=  -1,2520, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2590,2591,2592,
 &end
#
#  123 LEU  QQD         166 PHE  HA          6.00    (#   4306:20  Preassigned    5.26, 6.87 A)
 &rst
  ixpk= 4306, nxpk= 20, iat=  -1,2520, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  153 LEU  QD1         125 LYS  HA          3.50    (#   4309:20  Preassigned    4.62, 6.00 A)
 &rst
  ixpk= 4309, nxpk= 20, iat=  -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  176 ILE  QD          172 PHE  HA          3.50    (#   4312:20  Double         0.00, 0.00)
 &rst
  ixpk= 4312, nxpk= 20, iat=  -1,2621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2688,2689,2690,
 &end
#
#  128 LEU  QD2         125 LYS  HA          3.50    (#   4313:20  Double         0.00, 0.00)
 &rst
  ixpk= 4313, nxpk= 20, iat=  -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1943,1944,1945,
 &end
#
#  128 LEU  QD2         125 LYS  HA          3.50    (#   4314:20  Preassigned    2.25, 3.25 A)
 &rst
  ixpk= 4314, nxpk= 20, iat=  -1,1888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1943,1944,1945,
 &end
#
#  124 THR  QG          124 THR  HA          4.50    (#   4315:20  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 4315, nxpk= 20, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1878,1879,1880,
 &end
#
#  164 VAL  QG1         169 PHE  HA          3.50    (#   4317:20  Preassigned    4.71, 6.44 A)
 &rst
  ixpk= 4317, nxpk= 20, iat=  -1,2566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2496,2497,2498,
 &end
#
#  164 VAL  QG2         169 PHE  HA          4.50    (#   4319:20  Preassigned    4.48, 5.38 A)
 &rst
  ixpk= 4319, nxpk= 20, iat=  -1,2566, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2500,2501,2502,
 &end
#
#  113 TYR  HN          113 TYR  HA          6.00    (#   4372:20  Preassigned    2.48, 2.70 A)
 &rst
  ixpk= 4372, nxpk= 20, iat=1725,1727, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 PHE  QE          169 PHE  HA          4.50    (#   4373:20  Preassigned    4.05, 4.56 A)
 &rst
  ixpk= 4373, nxpk= 20, iat=  -1,2566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1680,1684,
 &end
#
#  110 PHE  QE          122 THR  HA          6.00    (#   4381:20  Preassigned    3.39, 4.60 A)
 &rst
  ixpk= 4381, nxpk= 20, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1680,1684,
 &end
#
#  110 PHE  HZ          122 THR  HA          6.00    (#   4384:20  Preassigned    1.96, 3.31 A)
 &rst
  ixpk= 4384, nxpk= 20, iat=1682,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 PHE  QE          165 ASP  HA          6.00    (#   4504:20  Preassigned    3.53, 4.76 A)
 &rst
  ixpk= 4504, nxpk= 20, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1680,1684,
 &end
#
#  110 PHE  HZ          165 ASP  HA          6.00    (#   4505:20  Preassigned    2.36, 3.58 A)
 &rst
  ixpk= 4505, nxpk= 20, iat=1682,2508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  135 GLU  HA          137 PRO  HD2         6.00    (#   4512:20  Preassigned    2.41, 3.85 A)
 &rst
  ixpk= 4512, nxpk= 20, iat=2062,2095, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  135 GLU  HA          137 PRO  HD3         6.00    (#   4513:20  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 4513, nxpk= 20, iat=2062,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 LEU  HA          123 LEU  HB2         6.00    (#   4526:20  Preassigned    2.57, 2.84 A)
 &rst
  ixpk= 4526, nxpk= 20, iat=1855,1857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 LEU  HA          123 LEU  HB3         4.50    (#   4527:20  Preassigned    2.16, 2.35 A)
 &rst
  ixpk= 4527, nxpk= 20, iat=1855,1858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  139 PHE  QB          132 MET  HA          4.50    (#   4553:20  Double         0.00, 0.00)
 &rst
  ixpk= 4553, nxpk= 20, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2119,2120,
 &end
#
#  113 TYR  HB2         113 TYR  HA          3.50    (#   4554:20  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 4554, nxpk= 20, iat=1729,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  132 MET  HG2         132 MET  HA          4.50    (#   4555:20  Preassigned    2.15, 3.11 A)
 &rst
  ixpk= 4555, nxpk= 20, iat=2013,2008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HG2         129 LYS  HA          3.50    (#   4556:20  Preassigned    2.17, 2.85 A)
 &rst
  ixpk= 4556, nxpk= 20, iat=2013,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HB3         113 TYR  HA          3.50    (#   4558:20  Preassigned    2.38, 2.71 A)
 &rst
  ixpk= 4558, nxpk= 20, iat=1730,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  163 GLN  HG2         124 THR  HA          6.00    (#   4559:20  Preassigned    2.20, 2.39 A)
 &rst
  ixpk= 4559, nxpk= 20, iat=2480,1874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  132 MET  HG3         132 MET  HA          3.50    (#   4560:20  Preassigned    2.63, 3.66 A)
 &rst
  ixpk= 4560, nxpk= 20, iat=2014,2008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 GLU  QB           98 GLU  HA          3.50    (#   4561:20  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 4561, nxpk= 20, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#  163 GLN  QB          124 THR  HA          6.00    (#   4562:20  Preassigned    4.21, 4.65 A)
 &rst
  ixpk= 4562, nxpk= 20, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2477,2478,
 &end
#
#  132 MET  QB          132 MET  HA          3.50    (#   4563:20  Preassigned    2.23, 2.62 A)
 &rst
  ixpk= 4563, nxpk= 20, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2010,2011,
 &end
#
#  129 LYS  HG2         129 LYS  HA          3.50    (#   4564:20  Preassigned    2.63, 3.22 A)
 &rst
  ixpk= 4564, nxpk= 20, iat=1956,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 THR  HB          122 THR  HA          4.50    (#   4565:20  Preassigned    2.27, 2.40 A)
 &rst
  ixpk= 4565, nxpk= 20, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 GLY  HA2         100 GLU  HA          6.00    (#   4568:20  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 4568, nxpk= 20, iat=1582,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  114 SER  HB2         122 THR  HA          6.00    (#   4572:20  Preassigned    4.41, 5.05 A)
 &rst
  ixpk= 4572, nxpk= 20, iat=1750,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  151 LYS  HE2         151 LYS  HA          4.50    (#   4574:20  Preassigned    5.12, 6.31 A)
 &rst
  ixpk= 4574, nxpk= 20, iat=2308,2297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HB3         122 THR  HA          6.00    (#   4578:20  Preassigned    4.29, 4.85 A)
 &rst
  ixpk= 4578, nxpk= 20, iat=2511,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 MET  QG          100 GLU  HA          4.50    (#   4580:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 4580, nxpk= 20, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1470,1471,
 &end
#
#  100 GLU  HB2         100 GLU  HA          3.50    (#   4581:20  Preassigned    2.76, 3.36 A)
 &rst
  ixpk= 4581, nxpk= 20, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  QB          151 LYS  HA          3.50    (#   4583:20  Preassigned    2.05, 3.20 A)
 &rst
  ixpk= 4583, nxpk= 20, iat=  -1,2297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  100 GLU  HB3         100 GLU  HA          3.50    (#   4584:20  Preassigned    2.36, 2.51 A)
 &rst
  ixpk= 4584, nxpk= 20, iat=1533,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  151 LYS  QD          151 LYS  HA          3.50    (#   4586:20  Preassigned    2.23, 2.88 A)
 &rst
  ixpk= 4586, nxpk= 20, iat=  -1,2297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2305,2306,
 &end
#
#  154 LYS  HG3         151 LYS  HA          3.50    (#   4587:20  Preassigned    2.52, 3.32 A)
 &rst
  ixpk= 4587, nxpk= 20, iat=2363,2297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 SER  HB2         114 SER  HA          3.50    (#   4592:20  Preassigned    2.26, 2.51 A)
 &rst
  ixpk= 4592, nxpk= 20, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  171 VAL  HA          168 GLU  HA          6.00    (#   4593:20  Preassigned    5.41, 5.72 A)
 &rst
  ixpk= 4593, nxpk= 20, iat=2605,2551, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  137 PRO  HD3         133 GLU  HA          4.50    (#   4594:20  Preassigned    4.11, 4.85 A)
 &rst
  ixpk= 4594, nxpk= 20, iat=2096,2025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 SER  HB3         114 SER  HA          3.50    (#   4599:20  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 4599, nxpk= 20, iat=1751,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  157 ASP  QB          154 LYS  HA          3.50    (#   4600:20  Preassigned    2.08, 3.33 A)
 &rst
  ixpk= 4600, nxpk= 20, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2412,2413,
 &end
#
#  133 GLU  QG          133 GLU  HA          3.50    (#   4601:20  Preassigned    2.00, 2.66 A)
 &rst
  ixpk= 4601, nxpk= 20, iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2030,2031,
 &end
#
#  105 MET  HG3         105 MET  HA          3.50    (#   4602:20  Preassigned    3.20, 3.41 A)
 &rst
  ixpk= 4602, nxpk= 20, iat=1595,1589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  133 GLU  HB2         133 GLU  HA          3.50    (#   4603:20  Preassigned    2.95, 3.00 A)
 &rst
  ixpk= 4603, nxpk= 20, iat=2027,2025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 MET  HB3         100 GLU  HA          3.50    (#   4604:20  Preassigned    1.94, 2.42 A)
 &rst
  ixpk= 4604, nxpk= 20, iat=1568,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HB3         168 GLU  HA          3.50    (#   4605:20  Preassigned    2.20, 2.36 A)
 &rst
  ixpk= 4605, nxpk= 20, iat=2554,2551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  QB          154 LYS  HA          3.50    (#   4606:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 4606, nxpk= 20, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2359,2360,
 &end
#
#  154 LYS  HG2         154 LYS  HA          3.50    (#   4607:20  Preassigned    2.29, 2.46 A)
 &rst
  ixpk= 4607, nxpk= 20, iat=2362,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HG3         154 LYS  HA          3.50    (#   4608:20  Preassigned    2.92, 3.49 A)
 &rst
  ixpk= 4608, nxpk= 20, iat=2363,2357, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 SER  QB          116 SER  HA          3.50    (#   4609:20  Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 4609, nxpk= 20, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1768,1769,
 &end
#
#  114 SER  HB2         116 SER  HA          6.00    (#   4610:20  Preassigned    3.35, 5.47 A)
 &rst
  ixpk= 4610, nxpk= 20, iat=1750,1766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HD2         112 ARG  HA          4.50    (#   4611:20  Preassigned    3.96, 4.44 A)
 &rst
  ixpk= 4611, nxpk= 20, iat=1711,1703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  QG          127 GLU  HA          3.50    (#   4612:20  Preassigned    2.42, 3.19 A)
 &rst
  ixpk= 4612, nxpk= 20, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1922,1923,
 &end
#
#  155 ASP  HB2         152 LEU  HA          3.50    (#   4617:20  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 4617, nxpk= 20, iat=2381,2319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB2         150 ASP  HA          3.50    (#   4618:20  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 4618, nxpk= 20, iat=2287,2285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  QB          134 LYS  HA          3.50    (#   4621:20  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 4621, nxpk= 20, iat=  -1,2040, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2042,2043,
 &end
#
#  153 LEU  HB2         153 LEU  HA          3.50    (#   4622:20  Preassigned    2.44, 2.62 A)
 &rst
  ixpk= 4622, nxpk= 20, iat=2340,2338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  144 LYS  QB          144 LYS  HA          3.50    (#   4623:20  Preassigned    2.15, 2.55 A)
 &rst
  ixpk= 4623, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2193,2194,
 &end
#
#  134 LYS  HG3         134 LYS  HA          3.50    (#   4624:20  Preassigned    2.14, 2.78 A)
 &rst
  ixpk= 4624, nxpk= 20, iat=2046,2040, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  137 PRO  HD3         134 LYS  HA          4.50    (#   4628:20  Preassigned    3.46, 4.17 A)
 &rst
  ixpk= 4628, nxpk= 20, iat=2096,2040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HB2         153 LEU  HA          4.50    (#   4630:20  Double         0.00, 0.00)
 &rst
  ixpk= 4630, nxpk= 20, iat=2381,2338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  155 ASP  HB3         155 ASP  HA          3.50    (#   4631:20  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 4631, nxpk= 20, iat=2382,2379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HB3         150 ASP  HA          3.50    (#   4633:20  Preassigned    2.40, 2.53 A)
 &rst
  ixpk= 4633, nxpk= 20, iat=2288,2285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  185 GLU  HG2         185 GLU  HA          3.50    (#   4635:20  Preassigned    2.36, 3.00 A)
 &rst
  ixpk= 4635, nxpk= 20, iat=2827,2822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  128 LEU  HB2         128 LEU  HA          4.50    (#   4637:20  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 4637, nxpk= 20, iat=1934,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HB3         140 LEU  HA          3.50    (#   4642:20  Preassigned    2.31, 2.54 A)
 &rst
  ixpk= 4642, nxpk= 20, iat=2140,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB3         156 LEU  HA          3.50    (#   4644:20  Preassigned    5.02, 5.41 A)
 &rst
  ixpk= 4644, nxpk= 20, iat=2394,2391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  158 ALA  QB          155 ASP  HA          4.50    (#   4647:20  Preassigned    4.16, 6.38 A)
 &rst
  ixpk= 4647, nxpk= 20, iat=  -1,2379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2424,2425,2426,
 &end
#
#  137 PRO  HD2         134 LYS  HA          4.50    (#   4650:20  Preassigned    4.67, 5.22 A)
 &rst
  ixpk= 4650, nxpk= 20, iat=2095,2040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  186 LYS  HB2         186 LYS  HA          3.50    (#   4655:20  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 4655, nxpk= 20, iat=2839,2837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  186 LYS  QG          186 LYS  HA          3.50    (#   4657:20  Preassigned    2.18, 3.28 A)
 &rst
  ixpk= 4657, nxpk= 20, iat=  -1,2837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2842,2843,
 &end
#
#  119 SER  HB2         117 GLU  HA          4.50    (#   4658:20  Preassigned    5.41, 6.85 A)
 &rst
  ixpk= 4658, nxpk= 20, iat=1801,1777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 MET  QB           96 MET  HA          3.50    (#   4662:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 4662, nxpk= 20, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1467,1468,
 &end
#
#  117 GLU  HB2         117 GLU  HA          3.50    (#   4663:20  Preassigned    2.32, 2.52 A)
 &rst
  ixpk= 4663, nxpk= 20, iat=1779,1777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HB3         117 GLU  HA          3.50    (#   4664:20  Preassigned    2.38, 2.45 A)
 &rst
  ixpk= 4664, nxpk= 20, iat=1780,1777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  135 GLU  QG          135 GLU  HA          6.00    (#   4675:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 4675, nxpk= 20, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2067,2068,
 &end
#
#  174 ALA  QB          174 ALA  HA          3.50    (#   4680:20  Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 4680, nxpk= 20, iat=  -1,2657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2659,2660,2661,
 &end
#
#  173 VAL  HA          175 ALA  HA          6.00    (#   4688:20  Preassigned    6.22, 6.35 A)
 &rst
  ixpk= 4688, nxpk= 20, iat=2641,2667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  151 LYS  HE2         148 ALA  HA          4.50    (#   4690:20  Preassigned    4.81, 5.19 A)
 &rst
  ixpk= 4690, nxpk= 20, iat=2308,2259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HB3         148 ALA  HA          4.50    (#   4692:20  Double         0.00, 0.00)
 &rst
  ixpk= 4692, nxpk= 20, iat=2288,2259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  151 LYS  QB          148 ALA  HA          3.50    (#   4700:20  Preassigned    2.05, 2.97 A)
 &rst
  ixpk= 4700, nxpk= 20, iat=  -1,2259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2299,2300,
 &end
#
#  176 ILE  HB          174 ALA  HA          4.50    (#   4701:20  Preassigned    4.94, 5.57 A)
 &rst
  ixpk= 4701, nxpk= 20, iat=2679,2657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 ALA  QB          102 ALA  HA          3.50    (#   4702:20  Preassigned    2.21, 2.64 A)
 &rst
  ixpk= 4702, nxpk= 20, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1557,1558,1559,
 &end
#
#  189 LEU  QB          189 LEU  HA          3.50    (#   4703:20  Preassigned    2.24, 2.53 A)
 &rst
  ixpk= 4703, nxpk= 20, iat=  -1,2880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2882,2883,
 &end
#
#  101 ALA  QB          101 ALA  HA          3.50    (#   4704:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 4704, nxpk= 20, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1547,1548,1549,
 &end
#
#  175 ALA  QB          175 ALA  HA          3.50    (#   4705:20  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 4705, nxpk= 20, iat=  -1,2667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2669,2670,2671,
 &end
#
#   96 MET  QG          101 ALA  HA          4.50    (#   4728:20  Preassigned    2.68, 3.51 A)
 &rst
  ixpk= 4728, nxpk= 20, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1470,1471,
 &end
#
#  176 ILE  HA          179 ALA  HA          4.50    (#   4761:20  Preassigned    4.62, 4.90 A)
 &rst
  ixpk= 4761, nxpk= 20, iat=2677,2721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  158 ALA  QB          158 ALA  HA          3.50    (#   4764:20  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 4764, nxpk= 20, iat=  -1,2422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  153 LEU  HA          162 ALA  HA          4.50    (#   4767:20  Double         0.00, 0.00)
 &rst
  ixpk= 4767, nxpk= 20, iat=2338,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  181 HIS  HB3         179 ALA  HA          6.00    (#   4769:20  Double         0.00, 0.00)
 &rst
  ixpk= 4769, nxpk= 20, iat=2745,2721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  157 ASP  QB          162 ALA  HA          4.50    (#   4770:20  Double         0.00, 0.00)
 &rst
  ixpk= 4770, nxpk= 20, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2412,2413,
 &end
#
#  163 GLN  HG3         162 ALA  HA          6.00    (#   4771:20  Preassigned    5.42, 5.87 A)
 &rst
  ixpk= 4771, nxpk= 20, iat=2481,2465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  153 LEU  HG          162 ALA  HA          4.50    (#   4773:20  Single         0.00, 0.00)
 &rst
  ixpk= 4773, nxpk= 20, iat=2343,2465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  162 ALA  QB          162 ALA  HA          3.50    (#   4776:20  Preassigned    2.43, 2.67 A)
 &rst
  ixpk= 4776, nxpk= 20, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2467,2468,2469,
 &end
#
#  159 ASN  HB2         159 ASN  HA          4.50    (#   4782:20  Preassigned    2.18, 2.41 A)
 &rst
  ixpk= 4782, nxpk= 20, iat=2434,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HB3         159 ASN  HA          4.50    (#   4784:20  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 4784, nxpk= 20, iat=2435,2432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HG2         162 ALA  HA          6.00    (#   4787:20  Preassigned    5.81, 6.20 A)
 &rst
  ixpk= 4787, nxpk= 20, iat=2480,2465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  168 GLU  HB2         165 ASP  HA          6.00    (#   4788:20  Preassigned    4.68, 5.28 A)
 &rst
  ixpk= 4788, nxpk= 20, iat=2553,2508, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  165 ASP  HB2         165 ASP  HA          4.50    (#   4796:20  Preassigned    2.41, 2.90 A)
 &rst
  ixpk= 4796, nxpk= 20, iat=2510,2508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HB3         165 ASP  HA          4.50    (#   4798:20  Preassigned    2.41, 2.67 A)
 &rst
  ixpk= 4798, nxpk= 20, iat=2511,2508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HA          137 PRO  HD3         6.00    (#   4811:20  Preassigned    2.29, 2.94 A)
 &rst
  ixpk= 4811, nxpk= 20, iat=2104,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  137 PRO  QG          137 PRO  HD2         4.50    (#   4818:20  Preassigned    2.26, 2.61 A)
 &rst
  ixpk= 4818, nxpk= 20, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2098,2099,
 &end
#
#  137 PRO  HB2         137 PRO  HD3         4.50    (#   4819:20  Preassigned    3.77, 3.85 A)
 &rst
  ixpk= 4819, nxpk= 20, iat=2101,2096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HB3         137 PRO  HD2         4.50    (#   4820:20  Preassigned    3.24, 3.67 A)
 &rst
  ixpk= 4820, nxpk= 20, iat=2102,2095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 PRO  HB3         137 PRO  HD3         4.50    (#   4821:20  Preassigned    3.31, 3.84 A)
 &rst
  ixpk= 4821, nxpk= 20, iat=2102,2096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HG          137 PRO  HD3         6.00    (#   4824:20  Preassigned    6.18, 6.64 A)
 &rst
  ixpk= 4824, nxpk= 20, iat=2142,2096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 ILE  HB          104 GLY  HA3         4.50    (#   4858:20  Preassigned    2.39, 3.40 A)
 &rst
  ixpk= 4858, nxpk= 20, iat=1627,1583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 GLN  QB          138 GLY  QA          4.50    (#   4865:20  Double         0.00, 0.00)
 &rst
  ixpk= 4865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2158,2159,
 igr2=2110,2111,
 &end
#
#  140 LEU  HB2         138 GLY  QA          3.50    (#   4866:20  Double         0.00, 0.00)
 &rst
  ixpk= 4866, nxpk= 20, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2110,2111,
 &end
#
#  125 LYS  QG          126 GLY  QA          4.50    (#   4869:20  Preassigned    3.45, 4.96 A)
 &rst
  ixpk= 4869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1893,1894,
 igr2=1910,1911,
 &end
#
#  140 LEU  HG          138 GLY  QA          4.50    (#   4870:20  Double         0.00, 0.00)
 &rst
  ixpk= 4870, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2110,2111,
 &end
#
#  129 LYS  HB2         126 GLY  QA          4.50    (#   4877:20  Preassigned    3.16, 5.49 A)
 &rst
  ixpk= 4877, nxpk= 20, iat=1953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1910,1911,
 &end
#
#  114 SER  HB3         118 GLY  HA3         6.00    (#   4888:20  Preassigned    3.76, 5.78 A)
 &rst
  ixpk= 4888, nxpk= 20, iat=1751,1793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  137 PRO  HB3         138 GLY  QA          4.50    (#   4894:20  Preassigned    4.39, 6.31 A)
 &rst
  ixpk= 4894, nxpk= 20, iat=2102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2110,2111,
 &end
#
#  112 ARG  HB2         115 GLY  QA          4.50    (#   4895:20  Preassigned    3.87, 5.69 A)
 &rst
  ixpk= 4895, nxpk= 20, iat=1705,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1759,1760,
 &end
#
#  140 LEU  HB2         143 GLY  QA          6.00    (#   4898:20  Double         0.00, 0.00)
 &rst
  ixpk= 4898, nxpk= 20, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2184,2185,
 &end
#
#  112 ARG  HG2         115 GLY  QA          6.00    (#   4899:20  Preassigned    5.59, 6.91 A)
 &rst
  ixpk= 4899, nxpk= 20, iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1759,1760,
 &end
#
#  140 LEU  HG          143 GLY  QA          4.50    (#   4901:20  Preassigned    4.47, 4.88 A)
 &rst
  ixpk= 4901, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2184,2185,
 &end
#
#  112 ARG  HG3         115 GLY  QA          6.00    (#   4902:20  Preassigned    5.67, 6.83 A)
 &rst
  ixpk= 4902, nxpk= 20, iat=1709,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1759,1760,
 &end
#
#  120 THR  HA          118 GLY  HA2         6.00    (#   4904:20  Preassigned    2.16, 4.33 A)
 &rst
  ixpk= 4904, nxpk= 20, iat=1810,1792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  184 PHE  HA          188 GLY  QA          4.50    (#   4913:20  Double         0.00, 0.00)
 &rst
  ixpk= 4913, nxpk= 20, iat=2802,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2873,2874,
 &end
#
#  139 PHE  QB          143 GLY  QA          6.00    (#   4914:20  Preassigned    4.10, 6.86 A)
 &rst
  ixpk= 4914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2119,2120,
 igr2=2184,2185,
 &end
#
#  184 PHE  QB          188 GLY  QA          6.00    (#   4923:20  Double         0.00, 0.00)
 &rst
  ixpk= 4923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2804,2805,
 igr2=2873,2874,
 &end
#
#  127 GLU  QG          123 LEU  HB2         6.00    (#   4925:20  Preassigned    2.44, 4.59 A)
 &rst
  ixpk= 4925, nxpk= 20, iat=  -1,1857, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1922,1923,
 &end
#
#  127 GLU  QG          123 LEU  HB3         6.00    (#   4926:20  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 4926, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1922,1923,
 &end
#
#  121 GLN  HB2         118 GLY  HA2         6.00    (#   4927:20  Preassigned    4.94, 6.21 A)
 &rst
  ixpk= 4927, nxpk= 20, iat=1826,1792, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 LEU  HB2         123 LEU  HB2         6.00    (#   4928:20  Preassigned    2.48, 3.46 A)
 &rst
  ixpk= 4928, nxpk= 20, iat=1934,1857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 LEU  HB2         123 LEU  HB3         6.00    (#   4929:20  Preassigned    2.15, 3.62 A)
 &rst
  ixpk= 4929, nxpk= 20, iat=1934,1858, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  127 GLU  QB          123 LEU  HB3         6.00    (#   4931:20  Preassigned    2.29, 4.20 A)
 &rst
  ixpk= 4931, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1919,1920,
 &end
#
#  135 GLU  QG          112 ARG  HD2         6.00    (#   4952:20  Unique         4.10, 6.29 A)
 &rst
  ixpk= 4952, nxpk= 20, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2067,2068,
 &end
#
#  109 VAL  HB          112 ARG  HD3         6.00    (#   4953:20  Unique         3.21, 5.96 A)
 &rst
  ixpk= 4953, nxpk= 20, iat=1658,1712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HG2         112 ARG  HD2         4.50    (#   4956:20  Preassigned    2.23, 2.72 A)
 &rst
  ixpk= 4956, nxpk= 20, iat=1708,1711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HG2         112 ARG  HD3         4.50    (#   4957:20  Preassigned    2.32, 2.67 A)
 &rst
  ixpk= 4957, nxpk= 20, iat=1708,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HG3         112 ARG  HD2         4.50    (#   4958:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 4958, nxpk= 20, iat=1709,1711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ARG  HG3         112 ARG  HD3         4.50    (#   4959:20  Preassigned    2.36, 2.83 A)
 &rst
  ixpk= 4959, nxpk= 20, iat=1709,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  189 LEU  HA          189 LEU  QB          4.50    (#   4985:20  Preassigned    2.24, 2.53 A)
 &rst
  ixpk= 4985, nxpk= 20, iat=2880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2882,2883,
 &end
#
#  134 LYS  QD          134 LYS  QE          3.50    (#   4990:20  Preassigned    2.34, 2.62 A)
 &rst
  ixpk= 4990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2048,2049,
 igr2=2051,2052,
 &end
#
#  153 LEU  QD1         124 THR  HA          6.00    (#   4994:20  Preassigned    4.20, 5.74 A)
 &rst
  ixpk= 4994, nxpk= 20, iat=  -1,1874, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2345,2346,2347,
 &end
#
#  136 LEU  QD1         132 MET  HA          3.50    (#   4995:20  Preassigned    5.38, 6.96 A)
 &rst
  ixpk= 4995, nxpk= 20, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2084,2085,2086,
 &end
#
#  140 LEU  QQD         132 MET  HA          3.50    (#   4997:20  Preassigned    5.38, 6.96 A)
 &rst
  ixpk= 4997, nxpk= 20, iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  131 LEU  HG          132 MET  HA          3.50    (#   4998:20  Double         0.00, 0.00)
 &rst
  ixpk= 4998, nxpk= 20, iat=1994,2008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 THR  QG          122 THR  HA          4.50    (#   4999:20  Preassigned    2.43, 3.24 A)
 &rst
  ixpk= 4999, nxpk= 20, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  123 LEU  QQD         122 THR  HA          6.00    (#   5002:20  Preassigned    3.76, 5.83 A)
 &rst
  ixpk= 5002, nxpk= 20, iat=  -1,1841, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  100 GLU  HG3         100 GLU  HA          3.50    (#   5005:20  Preassigned    2.40, 3.14 A)
 &rst
  ixpk= 5005, nxpk= 20, iat=1536,1530, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  122 THR  QG          119 SER  HA          6.00    (#   5006:20  Double         0.00, 0.00)
 &rst
  ixpk= 5006, nxpk= 20, iat=  -1,1799, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1845,1846,1847,
 &end
#
#  140 LEU  QQD         133 GLU  HA          3.50    (#   5007:20                 0.00, 0.00)
 &rst
  ixpk= 5007, nxpk= 20, iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  123 LEU  QQD         114 SER  HA          3.50    (#   5009:20  Preassigned    3.91, 6.23 A)
 &rst
  ixpk= 5009, nxpk= 20, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  120 THR  QG          119 SER  HA          6.00    (#   5010:20  Preassigned    4.93, 6.65 A)
 &rst
  ixpk= 5010, nxpk= 20, iat=  -1,1799, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1814,1815,1816,
 &end
#
#  124 THR  QG          127 GLU  HA          3.50    (#   5013:20  Double         0.00, 0.00)
 &rst
  ixpk= 5013, nxpk= 20, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1878,1879,1880,
 &end
#
#  149 VAL  QG1         150 ASP  HA          3.50    (#   5014:20  Preassigned    3.28, 4.67 A)
 &rst
  ixpk= 5014, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2273,2274,2275,
 &end
#
#  153 LEU  QD1         153 LEU  HA          3.50    (#   5015:20  Preassigned    2.13, 3.48 A)
 &rst
  ixpk= 5015, nxpk= 20, iat=  -1,2338, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  152 LEU  QQD         152 LEU  HA          3.50    (#   5016:20  Preassigned    1.99, 3.83 A)
 &rst
  ixpk= 5016, nxpk= 20, iat=  -1,2319, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  107 ILE  QG2         108 ASP  HA          6.00    (#   5017:20  Unique         3.53, 4.77 A)
 &rst
  ixpk= 5017, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1629,1630,1631,
 &end
#
#  131 LEU  HB3         128 LEU  HA          3.50    (#   5018:20  Preassigned    2.81, 3.40 A)
 &rst
  ixpk= 5018, nxpk= 20, iat=1992,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  140 LEU  QQD         140 LEU  HA          3.50    (#   5019:20  Preassigned    2.15, 3.90 A)
 &rst
  ixpk= 5019, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  128 LEU  QQD         128 LEU  HA          3.50    (#   5020:20  Preassigned    4.10, 4.73 A)
 &rst
  ixpk= 5020, nxpk= 20, iat=  -1,1932, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1939,1940,1941,1943,1944,1945,
 &end
#
#  156 LEU  QD2         156 LEU  HA          3.50    (#   5021:20  Preassigned    3.20, 4.35 A)
 &rst
  ixpk= 5021, nxpk= 20, iat=  -1,2391, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2402,2403,2404,
 &end
#
#  100 GLU  HG3          96 MET  HA          4.50    (#   5028:20  Preassigned    3.56, 4.19 A)
 &rst
  ixpk= 5028, nxpk= 20, iat=1536,1465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  177 THR  QG          174 ALA  HA          3.50    (#   5031:20  Preassigned    3.35, 4.46 A)
 &rst
  ixpk= 5031, nxpk= 20, iat=  -1,2657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  189 LEU  QD1         189 LEU  HA          4.50    (#   5035:20  Preassigned    2.37, 4.05 A)
 &rst
  ixpk= 5035, nxpk= 20, iat=  -1,2880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2887,2888,2889,
 &end
#
#  177 THR  QG          175 ALA  HA          3.50    (#   5037:20  Double         0.00, 0.00)
 &rst
  ixpk= 5037, nxpk= 20, iat=  -1,2667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2700,2701,2702,
 &end
#
#  153 LEU  QD1         162 ALA  HA          4.50    (#   5044:20  Double         0.00, 0.00)
 &rst
  ixpk= 5044, nxpk= 20, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2345,2346,2347,
 &end
#
#  153 LEU  QD1         162 ALA  HA          4.50    (#   5051:20  Double         0.00, 0.00)
 &rst
  ixpk= 5051, nxpk= 20, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2345,2346,2347,
 &end
#
#  122 THR  QG          165 ASP  HA          4.50    (#   5055:20  Preassigned    2.47, 4.03 A)
 &rst
  ixpk= 5055, nxpk= 20, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  164 VAL  QG2         165 ASP  HA          6.00    (#   5057:20  Preassigned    6.65, 6.96 A)
 &rst
  ixpk= 5057, nxpk= 20, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2500,2501,2502,
 &end
#
#  107 ILE  QG2         104 GLY  HA2         6.00    (#   5084:20  Preassigned    2.98, 4.71 A)
 &rst
  ixpk= 5084, nxpk= 20, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1629,1630,1631,
 &end
#
#  107 ILE  QG2         104 GLY  HA3         6.00    (#   5085:20  Preassigned    4.14, 5.11 A)
 &rst
  ixpk= 5085, nxpk= 20, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1629,1630,1631,
 &end
#
#  129 LYS  HG3         126 GLY  QA          6.00    (#   5100:20  Preassigned    4.44, 5.85 A)
 &rst
  ixpk= 5100, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1910,1911,
 &end
#
#  149 VAL  QG2         143 GLY  QA          6.00    (#   5102:20  Preassigned    2.45, 4.45 A)
 &rst
  ixpk= 5102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2277,2278,2279,
 igr2=2184,2185,
 &end
#
#  120 THR  QG          118 GLY  HA2         6.00    (#   5107:20  Preassigned    4.71, 6.47 A)
 &rst
  ixpk= 5107, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1814,1815,1816,
 &end
#
#  189 LEU  QD2         188 GLY  QA          6.00    (#   5110:20  Preassigned    3.66, 6.90 A)
 &rst
  ixpk= 5110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2891,2892,2893,
 igr2=2873,2874,
 &end
#
#  128 LEU  QD1         123 LEU  HB2         6.00    (#   5111:20  Preassigned    3.31, 5.29 A)
 &rst
  ixpk= 5111, nxpk= 20, iat=  -1,1857, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  128 LEU  QD1         123 LEU  HB3         6.00    (#   5112:20  Preassigned    3.45, 5.97 A)
 &rst
  ixpk= 5112, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  128 LEU  QD1         123 LEU  HB3         6.00    (#   5113:20  Preassigned    3.45, 5.97 A)
 &rst
  ixpk= 5113, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  187 THR  QG          188 GLY  QA          6.00    (#   5115:20  Preassigned    2.88, 5.43 A)
 &rst
  ixpk= 5115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2863,2864,2865,
 igr2=2873,2874,
 &end
#
#  164 VAL  QG2         123 LEU  HB2         6.00    (#   5116:20  Preassigned    2.85, 5.25 A)
 &rst
  ixpk= 5116, nxpk= 20, iat=  -1,1857, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2500,2501,2502,
 &end
#
#  164 VAL  QG2         123 LEU  HB3         6.00    (#   5117:20  Preassigned    4.24, 6.38 A)
 &rst
  ixpk= 5117, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2500,2501,2502,
 &end
#
#  123 LEU  QQD         123 LEU  HB2         4.50    (#   5119:20  Preassigned    2.22, 3.46 A)
 &rst
  ixpk= 5119, nxpk= 20, iat=  -1,1857, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  123 LEU  QQD         123 LEU  HB3         4.50    (#   5120:20  Preassigned    2.22, 3.48 A)
 &rst
  ixpk= 5120, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  109 VAL  QQG         112 ARG  HD2         6.00    (#   5123:20  Preassigned    2.64, 5.10 A)
 &rst
  ixpk= 5123, nxpk= 20, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  189 LEU  QD1         189 LEU  QB          3.50    (#   5140:20  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 5140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2887,2888,2889,
 igr2=2882,2883,
 &end
#
#  109 VAL  HN          109 VAL  HB          6.00    (#   5182:20  Preassigned    2.14, 2.33 A)
 &rst
  ixpk= 5182, nxpk= 20, iat=1654,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  165 ASP  HA          165 ASP  HB2         4.50    (#   5229:20  Preassigned    2.41, 2.90 A)
 &rst
  ixpk= 5229, nxpk= 20, iat=2508,2510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  165 ASP  HA          165 ASP  HB3         6.00    (#   5230:20  Preassigned    2.41, 2.67 A)
 &rst
  ixpk= 5230, nxpk= 20, iat=2508,2511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  145 ASP  HA          145 ASP  HB2         4.50    (#   5247:20  Preassigned    2.47, 2.55 A)
 &rst
  ixpk= 5247, nxpk= 20, iat=2213,2215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  161 ASP  HA          161 ASP  HB3         3.50    (#   5248:20  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 5248, nxpk= 20, iat=2453,2456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 PHE  QE          113 TYR  HB3         6.00    (#   5254:20  Preassigned    3.77, 6.32 A)
 &rst
  ixpk= 5254, nxpk= 20, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1680,1684,
 &end
#
#  169 PHE  HE1         166 PHE  QB          6.00    (#   5256:20  Preassigned    4.98, 6.82 A)
 &rst
  ixpk= 5256, nxpk= 20, iat=2574,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2522,2523,
 &end
#
#  159 ASN  HA          159 ASN  HB2         4.50    (#   5264:20  Preassigned    2.18, 2.41 A)
 &rst
  ixpk= 5264, nxpk= 20, iat=2432,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  159 ASN  HA          159 ASN  HB3         4.50    (#   5265:20  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 5265, nxpk= 20, iat=2432,2435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  172 PHE  HN          172 PHE  HB3         6.00    (#   5266:20  Preassigned    2.07, 2.32 A)
 &rst
  ixpk= 5266, nxpk= 20, iat=2619,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         110 PHE  HB2         4.50    (#   5268:20  Preassigned    2.95, 3.76 A)
 &rst
  ixpk= 5268, nxpk= 20, iat=2574,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  169 PHE  HE1         169 PHE  HB2         6.00    (#   5269:20  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 5269, nxpk= 20, iat=2574,2568, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  169 PHE  HE1         169 PHE  HB3         3.50    (#   5270:20  Preassigned    4.55, 4.65 A)
 &rst
  ixpk= 5270, nxpk= 20, iat=2574,2569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HE1         110 PHE  HB3         4.50    (#   5271:20  Preassigned    3.02, 3.75 A)
 &rst
  ixpk= 5271, nxpk= 20, iat=2574,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  169 PHE  HE1         170 ILE  HB          6.00    (#   5284:20  Preassigned    3.12, 4.78 A)
 &rst
  ixpk= 5284, nxpk= 20, iat=2574,2588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  163 GLN  HA          163 GLN  HG2         4.50    (#   5296:20  Preassigned    2.14, 2.18 A)
 &rst
  ixpk= 5296, nxpk= 20, iat=2475,2480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  163 GLN  HA          163 GLN  HG3         4.50    (#   5297:20  Preassigned    2.66, 3.03 A)
 &rst
  ixpk= 5297, nxpk= 20, iat=2475,2481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLU  HA          135 GLU  QG          6.00    (#   5314:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 5314, nxpk= 20, iat=2062,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2067,2068,
 &end
#
#  135 GLU  HA          135 GLU  QG          6.00    (#   5315:20  Preassigned    2.24, 3.52 A)
 &rst
  ixpk= 5315, nxpk= 20, iat=2062,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2067,2068,
 &end
#
#  152 LEU  HA          152 LEU  HB2         4.50    (#   5404:20  Preassigned    2.20, 2.87 A)
 &rst
  ixpk= 5404, nxpk= 20, iat=2319,2321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  152 LEU  HA          152 LEU  HB3         4.50    (#   5405:20  Preassigned    2.34, 2.46 A)
 &rst
  ixpk= 5405, nxpk= 20, iat=2319,2322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 LEU  HA          140 LEU  HB2         4.50    (#   5406:20  Preassigned    2.98, 3.03 A)
 &rst
  ixpk= 5406, nxpk= 20, iat=2137,2139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HG          155 ASP  HB2         4.50    (#   5429:20  Preassigned    4.28, 4.64 A)
 &rst
  ixpk= 5429, nxpk= 20, iat=2396,2381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  151 LYS  QD          155 ASP  HB2         4.50    (#   5434:20  Preassigned    4.33, 4.71 A)
 &rst
  ixpk= 5434, nxpk= 20, iat=  -1,2381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2305,2306,
 &end
#
#  158 ALA  QB          157 ASP  QB          3.50    (#   5435:20  Preassigned    4.17, 6.26 A)
 &rst
  ixpk= 5435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2424,2425,2426,
 igr2=2412,2413,
 &end
#
#  157 ASP  HA          157 ASP  QB          3.50    (#   5437:20  Preassigned    2.26, 2.56 A)
 &rst
  ixpk= 5437, nxpk= 20, iat=2410,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2412,2413,
 &end
#
#  155 ASP  HA          155 ASP  HB3         3.50    (#   5439:20  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 5439, nxpk= 20, iat=2379,2382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ASP  HA          153 LEU  HB3         6.00    (#   5440:20  Preassigned    2.18, 2.84 A)
 &rst
  ixpk= 5440, nxpk= 20, iat=2285,2341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  154 LYS  HA          157 ASP  QB          3.50    (#   5441:20  Preassigned    2.08, 3.33 A)
 &rst
  ixpk= 5441, nxpk= 20, iat=2357,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2412,2413,
 &end
#
#  128 LEU  HA          128 LEU  HB2         6.00    (#   5443:20  Preassigned    2.25, 2.49 A)
 &rst
  ixpk= 5443, nxpk= 20, iat=1932,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  153 LEU  HA          153 LEU  HB2         4.50    (#   5444:20  Preassigned    2.44, 2.62 A)
 &rst
  ixpk= 5444, nxpk= 20, iat=2338,2340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  153 LEU  HA          153 LEU  HB3         4.50    (#   5445:20  Preassigned    2.94, 2.99 A)
 &rst
  ixpk= 5445, nxpk= 20, iat=2338,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HA          128 LEU  HB2         6.00    (#   5446:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 5446, nxpk= 20, iat=1888,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  125 LYS  HA          128 LEU  HB2         6.00    (#   5448:20  Preassigned    2.26, 3.23 A)
 &rst
  ixpk= 5448, nxpk= 20, iat=1888,1934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  125 LYS  HA          128 LEU  HB3         6.00    (#   5450:20  Preassigned    2.18, 2.57 A)
 &rst
  ixpk= 5450, nxpk= 20, iat=1888,1935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  157 ASP  QB          153 LEU  HB2         4.50    (#   5453:20  Preassigned    2.71, 5.11 A)
 &rst
  ixpk= 5453, nxpk= 20, iat=  -1,2340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2412,2413,
 &end
#
#  153 LEU  HG          157 ASP  QB          3.50    (#   5460:20  Preassigned    4.81, 5.51 A)
 &rst
  ixpk= 5460, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2412,2413,
 &end
#
#  151 LYS  QD          150 ASP  HB2         3.50    (#   5461:20  Preassigned    3.80, 5.32 A)
 &rst
  ixpk= 5461, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2305,2306,
 &end
#
#  156 LEU  HA          156 LEU  HB2         4.50    (#   5467:20  Preassigned    4.50, 4.99 A)
 &rst
  ixpk= 5467, nxpk= 20, iat=2391,2393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  QB          128 LEU  HB2         6.00    (#   5475:20  Double         0.00, 0.00)
 &rst
  ixpk= 5475, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1919,1920,
 &end
#
#  168 GLU  HB3         159 ASN  HB2         4.50    (#   5482:20  Single         0.00, 0.00)
 &rst
  ixpk= 5482, nxpk= 20, iat=2554,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  QG          150 ASP  HB2         3.50    (#   5483:20  Preassigned    3.05, 3.68 A)
 &rst
  ixpk= 5483, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1893,1894,
 &end
#
#  156 LEU  HA          159 ASN  HB3         6.00    (#   5486:20  Preassigned    3.53, 4.39 A)
 &rst
  ixpk= 5486, nxpk= 20, iat=2391,2435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 PHE  HA          110 PHE  HB2         6.00    (#   5488:20  Preassigned    2.38, 2.69 A)
 &rst
  ixpk= 5488, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 PHE  HA          110 PHE  HB3         6.00    (#   5489:20  Preassigned    2.26, 2.79 A)
 &rst
  ixpk= 5489, nxpk= 20, iat=1672,1675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  168 GLU  HG2         159 ASN  HB2         4.50    (#   5495:20  Single         0.00, 0.00)
 &rst
  ixpk= 5495, nxpk= 20, iat=2556,2434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HB          172 PHE  HB2         6.00    (#   5496:20  Double         0.00, 0.00)
 &rst
  ixpk= 5496, nxpk= 20, iat=2643,2623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  173 VAL  HB          169 PHE  HB3         6.00    (#   5497:20  Double         0.00, 0.00)
 &rst
  ixpk= 5497, nxpk= 20, iat=2643,2569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  158 ALA  QB          159 ASN  HB2         3.50    (#   5498:20  Double         0.00, 0.00)
 &rst
  ixpk= 5498, nxpk= 20, iat=  -1,2434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  158 ALA  QB          159 ASN  HB3         3.50    (#   5499:20  Double         0.00, 0.00)
 &rst
  ixpk= 5499, nxpk= 20, iat=  -1,2435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2424,2425,2426,
 &end
#
#  108 ASP  HA          110 PHE  HB3         4.50    (#   5500:20  Preassigned    4.07, 5.11 A)
 &rst
  ixpk= 5500, nxpk= 20, iat=1644,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  172 PHE  HA          172 PHE  HB2         4.50    (#   5501:20  Preassigned    2.21, 2.55 A)
 &rst
  ixpk= 5501, nxpk= 20, iat=2621,2623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  172 PHE  HA          172 PHE  HB3         3.50    (#   5502:20  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 5502, nxpk= 20, iat=2621,2624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  169 PHE  HA          169 PHE  HB2         4.50    (#   5504:20  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 5504, nxpk= 20, iat=2566,2568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HA          172 PHE  HB3         6.00    (#   5507:20  Preassigned    5.16, 5.44 A)
 &rst
  ixpk= 5507, nxpk= 20, iat=2551,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  166 PHE  HA          166 PHE  QB          4.50    (#   5512:20  Preassigned    2.25, 2.43 A)
 &rst
  ixpk= 5512, nxpk= 20, iat=2520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2522,2523,
 &end
#
#  169 PHE  HB3         110 PHE  HB3         4.50    (#   5514:20  Preassigned    4.01, 4.54 A)
 &rst
  ixpk= 5514, nxpk= 20, iat=2569,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HB2         172 PHE  HB3         6.00    (#   5524:20  Double         0.00, 0.00)
 &rst
  ixpk= 5524, nxpk= 20, iat=2393,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  175 ALA  QB          172 PHE  HB2         6.00    (#   5529:20  Preassigned    5.07, 6.53 A)
 &rst
  ixpk= 5529, nxpk= 20, iat=  -1,2623, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2669,2670,2671,
 &end
#
#  156 LEU  HB3         172 PHE  HB3         4.50    (#   5530:20  Preassigned    2.01, 2.51 A)
 &rst
  ixpk= 5530, nxpk= 20, iat=2394,2624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HA          107 ILE  HB          4.50    (#   5532:20  Preassigned    3.84, 4.82 A)
 &rst
  ixpk= 5532, nxpk= 20, iat=1644,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 GLY  HA2         107 ILE  HB          4.50    (#   5534:20  Preassigned    2.11, 2.96 A)
 &rst
  ixpk= 5534, nxpk= 20, iat=1582,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HA          139 PHE  QB          6.00    (#   5536:20  Preassigned    2.26, 5.60 A)
 &rst
  ixpk= 5536, nxpk= 20, iat=2025,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2119,2120,
 &end
#
#  100 GLU  HA          100 GLU  HG2         6.00    (#   5538:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 5538, nxpk= 20, iat=1530,1535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HA          100 GLU  HG3         6.00    (#   5539:20  Preassigned    2.40, 3.14 A)
 &rst
  ixpk= 5539, nxpk= 20, iat=1530,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HA          100 GLU  HG2         6.00    (#   5541:20  Preassigned    2.24, 3.08 A)
 &rst
  ixpk= 5541, nxpk= 20, iat=1530,1535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HB2         100 GLU  HG3         6.00    (#   5557:20  Preassigned    2.40, 2.73 A)
 &rst
  ixpk= 5557, nxpk= 20, iat=1532,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  156 LEU  HB2         172 PHE  HB2         6.00    (#   5559:20  Double         0.00, 0.00)
 &rst
  ixpk= 5559, nxpk= 20, iat=2393,2623, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  132 MET  QB          139 PHE  QB          6.00    (#   5560:20  Preassigned    5.85, 5.98 A)
 &rst
  ixpk= 5560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2010,2011,
 igr2=2119,2120,
 &end
#
#  100 GLU  HB3         100 GLU  HG3         6.00    (#   5567:20  Preassigned    2.23, 2.67 A)
 &rst
  ixpk= 5567, nxpk= 20, iat=1533,1536, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 GLU  HB3         100 GLU  HG2         4.50    (#   5568:20  Preassigned    2.44, 2.75 A)
 &rst
  ixpk= 5568, nxpk= 20, iat=1533,1535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  139 PHE  HA          139 PHE  QB          4.50    (#   5570:20  Preassigned    2.12, 2.76 A)
 &rst
  ixpk= 5570, nxpk= 20, iat=2117,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2119,2120,
 &end
#
#  107 ILE  HA          107 ILE  HB          4.50    (#   5573:20  Preassigned    2.99, 3.00 A)
 &rst
  ixpk= 5573, nxpk= 20, iat=1625,1627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HB2         107 ILE  HB          6.00    (#   5575:20  Preassigned    4.87, 5.37 A)
 &rst
  ixpk= 5575, nxpk= 20, iat=1646,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 GLU  HA           98 GLU  HG2         4.50    (#   5580:20  Preassigned    2.92, 3.31 A)
 &rst
  ixpk= 5580, nxpk= 20, iat=1496,1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  HA          127 GLU  QG          3.50    (#   5581:20  Preassigned    2.42, 3.19 A)
 &rst
  ixpk= 5581, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1922,1923,
 &end
#
#  168 GLU  HA          168 GLU  HG2         4.50    (#   5584:20  Preassigned    2.46, 2.91 A)
 &rst
  ixpk= 5584, nxpk= 20, iat=2551,2556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HA          168 GLU  HG3         4.50    (#   5586:20  Preassigned    3.07, 3.39 A)
 &rst
  ixpk= 5586, nxpk= 20, iat=2551,2557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HA          133 GLU  QG          4.50    (#   5588:20  Preassigned    2.00, 2.66 A)
 &rst
  ixpk= 5588, nxpk= 20, iat=2025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2030,2031,
 &end
#
#  176 ILE  HA          176 ILE  HB          4.50    (#   5589:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 5589, nxpk= 20, iat=2677,2679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HA          176 ILE  HB          6.00    (#   5590:20  Preassigned    2.73, 2.86 A)
 &rst
  ixpk= 5590, nxpk= 20, iat=2641,2679, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HB2         127 GLU  QG          4.50    (#   5592:20  Double         0.00, 0.00)
 &rst
  ixpk= 5592, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1922,1923,
 &end
#
#   98 GLU  QB           98 GLU  HG2         3.50    (#   5602:20  Preassigned    2.23, 2.71 A)
 &rst
  ixpk= 5602, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#   98 GLU  QB           98 GLU  HG3         3.50    (#   5603:20  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 5603, nxpk= 20, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1499,
 &end
#
#  140 LEU  HB3         133 GLU  QG          4.50    (#   5608:20  Double         0.00, 0.00)
 &rst
  ixpk= 5608, nxpk= 20, iat=2140,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2030,2031,
 &end
#
#  123 LEU  HB2         127 GLU  QG          4.50    (#   5609:20  Preassigned    2.44, 4.59 A)
 &rst
  ixpk= 5609, nxpk= 20, iat=1857,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1922,1923,
 &end
#
#  185 GLU  HA          185 GLU  HG2         4.50    (#   5612:20  Preassigned    2.36, 3.00 A)
 &rst
  ixpk= 5612, nxpk= 20, iat=2822,2827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  185 GLU  HA          185 GLU  HG3         4.50    (#   5613:20  Preassigned    2.37, 3.24 A)
 &rst
  ixpk= 5613, nxpk= 20, iat=2822,2828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  176 ILE  HG2         176 ILE  HB          3.50    (#   5621:20  Preassigned    2.30, 2.38 A)
 &rst
  ixpk= 5621, nxpk= 20, iat=2685,2679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HA          117 GLU  QG          4.50    (#   5622:20  Preassigned    2.56, 3.69 A)
 &rst
  ixpk= 5622, nxpk= 20, iat=1777,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1782,1783,
 &end
#
#  167 SER  HA          170 ILE  HB          6.00    (#   5623:20  Preassigned    2.88, 3.34 A)
 &rst
  ixpk= 5623, nxpk= 20, iat=2540,2588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  170 ILE  HA          170 ILE  HB          4.50    (#   5626:20  Preassigned    2.47, 2.58 A)
 &rst
  ixpk= 5626, nxpk= 20, iat=2586,2588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  151 LYS  HE2         151 LYS  QD          6.00    (#   5635:20  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 5635, nxpk= 20, iat=2308,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2305,2306,
 &end
#
#  186 LYS  QD          186 LYS  QG          3.50    (#   5639:20  Preassigned    2.28, 2.68 A)
 &rst
  ixpk= 5639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2845,2846,
 igr2=2842,2843,
 &end
#
#  190 LYS  QD          190 LYS  HG3         4.50    (#   5640:20  Preassigned    2.41, 2.72 A)
 &rst
  ixpk= 5640, nxpk= 20, iat=  -1,2905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2907,2908,
 &end
#
#  135 GLU  QB          136 LEU  QD2         6.00    (#   5647:20  Preassigned    2.38, 6.38 A)
 &rst
  ixpk= 5647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2064,2065,
 igr2=2088,2089,2090,
 &end
#
#  131 LEU  HB2         131 LEU  HG          6.00    (#   5649:20  Preassigned    2.23, 2.61 A)
 &rst
  ixpk= 5649, nxpk= 20, iat=1991,1994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  164 VAL  HA          164 VAL  HB          4.50    (#   5678:20  Preassigned    2.99, 3.03 A)
 &rst
  ixpk= 5678, nxpk= 20, iat=2492,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HA          121 GLN  QG          3.50    (#   5679:20  Preassigned    2.21, 3.17 A)
 &rst
  ixpk= 5679, nxpk= 20, iat=1824,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1829,1830,
 &end
#
#  134 LYS  HA          134 LYS  QB          3.50    (#   5681:20  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 5681, nxpk= 20, iat=2040,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2042,2043,
 &end
#
#  122 THR  HB          164 VAL  HB          4.50    (#   5682:20  Preassigned    5.51, 5.65 A)
 &rst
  ixpk= 5682, nxpk= 20, iat=1843,2494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  131 LEU  HA          134 LYS  QB          6.00    (#   5685:20  Preassigned    2.62, 5.66 A)
 &rst
  ixpk= 5685, nxpk= 20, iat=1989,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2042,2043,
 &end
#
#  163 GLN  QB          163 GLN  HG2         3.50    (#   5698:20  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 5698, nxpk= 20, iat=  -1,2480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2477,2478,
 &end
#
#  163 GLN  QB          163 GLN  HG3         3.50    (#   5699:20  Preassigned    2.37, 2.71 A)
 &rst
  ixpk= 5699, nxpk= 20, iat=  -1,2481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2477,2478,
 &end
#
#  134 LYS  HG2         134 LYS  QB          3.50    (#   5701:20  Preassigned    2.27, 2.59 A)
 &rst
  ixpk= 5701, nxpk= 20, iat=2045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2042,2043,
 &end
#
#  101 ALA  QB           96 MET  QB          4.50    (#   5702:20  Preassigned    2.29, 5.41 A)
 &rst
  ixpk= 5702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1547,1548,1549,
 igr2=1467,1468,
 &end
#
#  123 LEU  HB2         164 VAL  HB          3.50    (#   5703:20  Preassigned    2.48, 3.37 A)
 &rst
  ixpk= 5703, nxpk= 20, iat=1857,2494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 THR  HA          121 GLN  QG          3.50    (#   5704:20  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 5704, nxpk= 20, iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1829,1830,
 &end
#
#  105 MET  HA          105 MET  HG2         4.50    (#   5705:20  Preassigned    3.98, 4.06 A)
 &rst
  ixpk= 5705, nxpk= 20, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HA          105 MET  HG3         4.50    (#   5706:20  Preassigned    3.20, 3.41 A)
 &rst
  ixpk= 5706, nxpk= 20, iat=1589,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 GLN  HA          141 GLN  QG          4.50    (#   5708:20  Preassigned    2.27, 3.15 A)
 &rst
  ixpk= 5708, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2161,2162,
 &end
#
#  138 GLY  QA          141 GLN  QG          6.00    (#   5709:20  Preassigned    2.40, 4.91 A)
 &rst
  ixpk= 5709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2110,2111,
 igr2=2161,2162,
 &end
#
#  105 MET  QB          105 MET  HG2         3.50    (#   5714:20  Preassigned    2.20, 2.46 A)
 &rst
  ixpk= 5714, nxpk= 20, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1591,1592,
 &end
#
#   96 MET  QG           96 MET  QB          3.50    (#   5715:20  Preassigned    2.35, 2.72 A)
 &rst
  ixpk= 5715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1470,1471,
 igr2=1467,1468,
 &end
#
#  140 LEU  HB3         141 GLN  QG          6.00    (#   5723:20  Preassigned    4.67, 5.80 A)
 &rst
  ixpk= 5723, nxpk= 20, iat=2140,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2161,2162,
 &end
#
#  186 LYS  HA          186 LYS  HB2         4.50    (#   5725:20  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 5725, nxpk= 20, iat=2837,2839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  186 LYS  HA          186 LYS  HB3         4.50    (#   5726:20  Preassigned    2.42, 2.57 A)
 &rst
  ixpk= 5726, nxpk= 20, iat=2837,2840, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 MET  HA          132 MET  HG2         6.00    (#   5727:20  Preassigned    2.15, 3.11 A)
 &rst
  ixpk= 5727, nxpk= 20, iat=2008,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  144 LYS  HA          144 LYS  QB          3.50    (#   5737:20  Double         0.00, 0.00)
 &rst
  ixpk= 5737, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2193,2194,
 &end
#
#  151 LYS  HA          151 LYS  QB          3.50    (#   5739:20  Preassigned    2.33, 2.76 A)
 &rst
  ixpk= 5739, nxpk= 20, iat=2297,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2299,2300,
 &end
#
#  132 MET  HA          132 MET  HG3         3.50    (#   5741:20  Preassigned    2.63, 3.66 A)
 &rst
  ixpk= 5741, nxpk= 20, iat=2008,2014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  132 MET  HG2         132 MET  QB          6.00    (#   5744:20  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 5744, nxpk= 20, iat=2013,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2010,2011,
 &end
#
#  102 ALA  HA          105 MET  QB          4.50    (#   5754:20  Preassigned    2.40, 3.90 A)
 &rst
  ixpk= 5754, nxpk= 20, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1591,1592,
 &end
#
#  109 VAL  HA          109 VAL  HB          3.50    (#   5759:20  Preassigned    2.56, 2.88 A)
 &rst
  ixpk= 5759, nxpk= 20, iat=1656,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 LYS  HA          129 LYS  HB2         4.50    (#   5760:20  Preassigned    2.12, 2.24 A)
 &rst
  ixpk= 5760, nxpk= 20, iat=1951,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HA          125 LYS  HB3         4.50    (#   5761:20  Preassigned    2.63, 2.86 A)
 &rst
  ixpk= 5761, nxpk= 20, iat=1888,1891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 VAL  HA          149 VAL  HB          4.50    (#   5762:20  Preassigned    2.97, 3.01 A)
 &rst
  ixpk= 5762, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 MET  HG3         105 MET  QB          3.50    (#   5774:20  Preassigned    2.51, 2.84 A)
 &rst
  ixpk= 5774, nxpk= 20, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1591,1592,
 &end
#
#  168 GLU  HA          171 VAL  HB          3.50    (#   5782:20  Preassigned    3.16, 5.49 A)
 &rst
  ixpk= 5782, nxpk= 20, iat=2551,2607, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  173 VAL  HA          173 VAL  HB          6.00    (#   5783:20  Preassigned    2.93, 2.97 A)
 &rst
  ixpk= 5783, nxpk= 20, iat=2641,2643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  171 VAL  HA          171 VAL  HB          6.00    (#   5784:20  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 5784, nxpk= 20, iat=2605,2607, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  170 ILE  HA          173 VAL  HB          4.50    (#   5785:20  Preassigned    2.12, 2.56 A)
 &rst
  ixpk= 5785, nxpk= 20, iat=2586,2643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HB3         149 VAL  HB          4.50    (#   5786:20  Preassigned    2.60, 3.82 A)
 &rst
  ixpk= 5786, nxpk= 20, iat=2288,2271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  148 ALA  QB          149 VAL  HB          4.50    (#   5790:20  Preassigned    6.33, 6.83 A)
 &rst
  ixpk= 5790, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2261,2262,2263,
 &end
#
#  103 MET  HA          103 MET  HG3         6.00    (#   5791:20  Preassigned    2.15, 3.01 A)
 &rst
  ixpk= 5791, nxpk= 20, iat=1565,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 MET  HA           96 MET  QG          4.50    (#   5792:20  Preassigned    2.20, 2.69 A)
 &rst
  ixpk= 5792, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1470,1471,
 &end
#
#  117 GLU  HA          117 GLU  HB2         4.50    (#   5793:20  Preassigned    2.32, 2.52 A)
 &rst
  ixpk= 5793, nxpk= 20, iat=1777,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HA          117 GLU  HB3         4.50    (#   5794:20  Preassigned    2.38, 2.45 A)
 &rst
  ixpk= 5794, nxpk= 20, iat=1777,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 ALA  HA           96 MET  QG          4.50    (#   5795:20  Preassigned    2.68, 3.51 A)
 &rst
  ixpk= 5795, nxpk= 20, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1470,1471,
 &end
#
#  100 GLU  HG2         100 GLU  HB2         3.50    (#   5800:20  Preassigned    2.40, 2.78 A)
 &rst
  ixpk= 5800, nxpk= 20, iat=1535,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  135 GLU  QG          135 GLU  QB          6.00    (#   5801:20  Preassigned    2.21, 2.66 A)
 &rst
  ixpk= 5801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2067,2068,
 igr2=2064,2065,
 &end
#
#  103 MET  HB2         103 MET  HG2         3.50    (#   5802:20  Preassigned    2.45, 2.73 A)
 &rst
  ixpk= 5802, nxpk= 20, iat=1567,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LYS  QB          135 GLU  QG          6.00    (#   5804:20  Preassigned    2.06, 4.96 A)
 &rst
  ixpk= 5804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2042,2043,
 igr2=2067,2068,
 &end
#
#  101 ALA  QB           96 MET  QG          6.00    (#   5810:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 5810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1547,1548,1549,
 igr2=1470,1471,
 &end
#
#  127 GLU  HA          127 GLU  QB          3.50    (#   5814:20  Preassigned    2.19, 2.69 A)
 &rst
  ixpk= 5814, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1919,1920,
 &end
#
#  122 THR  HB          163 GLN  QB          3.50    (#   5815:20  Preassigned    2.60, 3.48 A)
 &rst
  ixpk= 5815, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2477,2478,
 &end
#
#  112 ARG  HA          112 ARG  HB3         3.50    (#   5816:20  Preassigned    2.20, 2.50 A)
 &rst
  ixpk= 5816, nxpk= 20, iat=1703,1706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  168 GLU  HA          168 GLU  HB2         4.50    (#   5817:20  Preassigned    2.80, 2.99 A)
 &rst
  ixpk= 5817, nxpk= 20, iat=2551,2553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  168 GLU  HA          168 GLU  HB3         3.50    (#   5818:20  Preassigned    2.20, 2.36 A)
 &rst
  ixpk= 5818, nxpk= 20, iat=2551,2554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  137 PRO  HD2         137 PRO  HB2         6.00    (#   5821:20  Preassigned    2.74, 3.54 A)
 &rst
  ixpk= 5821, nxpk= 20, iat=2095,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 ARG  HD2         112 ARG  HB2         6.00    (#   5823:20  Preassigned    2.19, 3.27 A)
 &rst
  ixpk= 5823, nxpk= 20, iat=1711,1705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 LEU  HG          127 GLU  QB          4.50    (#   5832:20  Preassigned    4.07, 5.01 A)
 &rst
  ixpk= 5832, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1919,1920,
 &end
#
#  121 GLN  HA          121 GLN  HB2         4.50    (#   5833:20  Preassigned    2.36, 2.75 A)
 &rst
  ixpk= 5833, nxpk= 20, iat=1824,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  121 GLN  HA          121 GLN  HB3         4.50    (#   5834:20  Preassigned    2.29, 2.55 A)
 &rst
  ixpk= 5834, nxpk= 20, iat=1824,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  181 HIS  HA          181 HIS  HB2         4.50    (#   5835:20  Preassigned    2.29, 2.52 A)
 &rst
  ixpk= 5835, nxpk= 20, iat=2742,2744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  181 HIS  HA          181 HIS  HB3         6.00    (#   5836:20  Preassigned    2.30, 2.51 A)
 &rst
  ixpk= 5836, nxpk= 20, iat=2742,2745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 GLU  HA           98 GLU  QB          3.50    (#   5839:20  Preassigned    2.26, 2.65 A)
 &rst
  ixpk= 5839, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1498,1499,
 &end
#
#  133 GLU  HA          133 GLU  HB2         4.50    (#   5840:20  Preassigned    2.95, 3.00 A)
 &rst
  ixpk= 5840, nxpk= 20, iat=2025,2027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HA          134 LYS  QD          4.50    (#   5857:20  Preassigned    2.46, 3.79 A)
 &rst
  ixpk= 5857, nxpk= 20, iat=2040,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2048,2049,
 &end
#
#  138 GLY  QA          141 GLN  QB          4.50    (#   5861:20  Preassigned    3.28, 5.91 A)
 &rst
  ixpk= 5861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2110,2111,
 igr2=2158,2159,
 &end
#
#  134 LYS  QE          134 LYS  QD          4.50    (#   5867:20  Preassigned    2.34, 2.62 A)
 &rst
  ixpk= 5867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2051,2052,
 igr2=2048,2049,
 &end
#
#  134 LYS  HG2         134 LYS  QD          3.50    (#   5883:20  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 5883, nxpk= 20, iat=2045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2048,2049,
 &end
#
#  141 GLN  HA          141 GLN  QB          3.50    (#   5888:20  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 5888, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2158,2159,
 &end
#
#  141 GLN  QG          141 GLN  QB          3.50    (#   5894:20  Preassigned    2.27, 2.68 A)
 &rst
  ixpk= 5894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2161,2162,
 igr2=2158,2159,
 &end
#
#  112 ARG  HA          112 ARG  HG3         4.50    (#   5903:20  Preassigned    2.68, 3.09 A)
 &rst
  ixpk= 5903, nxpk= 20, iat=1703,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  109 VAL  HA          112 ARG  HG3         4.50    (#   5906:20  Preassigned    2.11, 2.94 A)
 &rst
  ixpk= 5906, nxpk= 20, iat=1656,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ASP  HA          153 LEU  HG          6.00    (#   5915:20  Preassigned    4.72, 5.42 A)
 &rst
  ixpk= 5915, nxpk= 20, iat=2285,2343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  152 LEU  HA          152 LEU  HG          3.50    (#   5918:20  Preassigned    3.42, 3.62 A)
 &rst
  ixpk= 5918, nxpk= 20, iat=2319,2324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  167 SER  HA          170 ILE  QG1         4.50    (#   5919:20  Preassigned    4.35, 5.09 A)
 &rst
  ixpk= 5919, nxpk= 20, iat=2540,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2594,2595,
 &end
#
#  137 PRO  HD3         137 PRO  QG          6.00    (#   5921:20  Preassigned    2.26, 2.56 A)
 &rst
  ixpk= 5921, nxpk= 20, iat=2096,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2098,2099,
 &end
#
#  112 ARG  HD2         112 ARG  HG3         4.50    (#   5924:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 5924, nxpk= 20, iat=1711,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  170 ILE  HA          170 ILE  QG1         6.00    (#   5925:20  Preassigned    2.12, 3.15 A)
 &rst
  ixpk= 5925, nxpk= 20, iat=2586,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2594,2595,
 &end
#
#  137 PRO  HB3         137 PRO  QG          3.50    (#   5931:20  Preassigned    2.30, 2.62 A)
 &rst
  ixpk= 5931, nxpk= 20, iat=2102,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2098,2099,
 &end
#
#  153 LEU  HB3         153 LEU  HG          6.00    (#   5934:20  Preassigned    2.52, 2.82 A)
 &rst
  ixpk= 5934, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  170 ILE  HB          170 ILE  QG1         3.50    (#   5935:20  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 5935, nxpk= 20, iat=2588,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2594,2595,
 &end
#
#  153 LEU  HA          153 LEU  HG          4.50    (#   5938:20  Preassigned    2.39, 2.57 A)
 &rst
  ixpk= 5938, nxpk= 20, iat=2338,2343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  154 LYS  HA          154 LYS  HG2         4.50    (#   5953:20  Preassigned    2.29, 2.46 A)
 &rst
  ixpk= 5953, nxpk= 20, iat=2357,2362, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HA          156 LEU  HG          6.00    (#   5954:20  Preassigned    2.14, 3.51 A)
 &rst
  ixpk= 5954, nxpk= 20, iat=2391,2396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  153 LEU  HG          153 LEU  QD1         3.50    (#   5958:20  Preassigned    2.24, 2.66 A)
 &rst
  ixpk= 5958, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2345,2346,2347,
 &end
#
#  123 LEU  HB3         153 LEU  QD1         4.50    (#   5959:20  Preassigned    2.99, 3.73 A)
 &rst
  ixpk= 5959, nxpk= 20, iat=1858,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2345,2346,2347,
 &end
#
#  134 LYS  HA          134 LYS  HG2         4.50    (#   5962:20  Preassigned    2.33, 3.04 A)
 &rst
  ixpk= 5962, nxpk= 20, iat=2040,2045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LYS  HA          134 LYS  HG3         3.50    (#   5963:20  Preassigned    2.14, 2.78 A)
 &rst
  ixpk= 5963, nxpk= 20, iat=2040,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  154 LYS  HA          154 LYS  HG3         3.50    (#   5965:20  Preassigned    2.92, 3.49 A)
 &rst
  ixpk= 5965, nxpk= 20, iat=2357,2363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  153 LEU  HA          156 LEU  QD1         4.50    (#   5966:20  Preassigned    3.96, 4.83 A)
 &rst
  ixpk= 5966, nxpk= 20, iat=2338,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2398,2399,2400,
 &end
#
#  151 LYS  HA          151 LYS  HG2         4.50    (#   5967:20  Preassigned    2.50, 3.13 A)
 &rst
  ixpk= 5967, nxpk= 20, iat=2297,2302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 LYS  HA          129 LYS  HG3         6.00    (#   5970:20  Preassigned    2.69, 3.53 A)
 &rst
  ixpk= 5970, nxpk= 20, iat=1951,1957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  151 LYS  HE2         151 LYS  HG2         4.50    (#   5974:20  Preassigned    2.10, 3.07 A)
 &rst
  ixpk= 5974, nxpk= 20, iat=2308,2302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 LYS  HB2         129 LYS  HG3         4.50    (#   5977:20  Preassigned    2.15, 2.27 A)
 &rst
  ixpk= 5977, nxpk= 20, iat=1953,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  156 LEU  HB2         156 LEU  QD1         3.50    (#   5979:20  Preassigned    2.25, 3.02 A)
 &rst
  ixpk= 5979, nxpk= 20, iat=2393,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2398,2399,2400,
 &end
#
#  151 LYS  QB          151 LYS  HG2         3.50    (#   5981:20  Preassigned    2.31, 2.74 A)
 &rst
  ixpk= 5981, nxpk= 20, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2299,2300,
 &end
#
#  156 LEU  HB3         156 LEU  QD1         3.50    (#   5985:20  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 5985, nxpk= 20, iat=2394,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2398,2399,2400,
 &end
#
#  150 ASP  HA          154 LYS  HG3         4.50    (#   5986:20  Preassigned    4.47, 4.81 A)
 &rst
  ixpk= 5986, nxpk= 20, iat=2285,2363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 LYS  HB3         153 LEU  QD1         3.50    (#   5996:20  Double         0.00, 0.00)
 &rst
  ixpk= 5996, nxpk= 20, iat=1891,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2345,2346,2347,
 &end
#
#  190 LYS  HA          189 LEU  QD1         4.50    (#   6000:20  Preassigned    3.85, 5.66 A)
 &rst
  ixpk= 6000, nxpk= 20, iat=2899,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2887,2888,2889,
 &end
#
#  134 LEU  HB3         134 LYS  QE          6.00    (#   6034:20  Unique         2.78, 6.60 A)
 &rst
  ixpk= 6034, nxpk= 20, iat=2043,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2051,2052,
 &end
#
#  122 THR  QG          165 ASP  HB2         6.00    (#   6036:20  Preassigned    2.72, 5.31 A)
 &rst
  ixpk= 6036, nxpk= 20, iat=  -1,2510, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1845,1846,1847,
 &end
#
#  122 THR  QG          165 ASP  HB3         4.50    (#   6037:20  Preassigned    2.90, 5.12 A)
 &rst
  ixpk= 6037, nxpk= 20, iat=  -1,2511, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  153 LEU  QD1         157 ASP  QB          4.50    (#   6039:20  Double         0.00, 0.00)
 &rst
  ixpk= 6039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2345,2346,2347,
 igr2=2412,2413,
 &end
#
#  152 LEU  QQD         152 LEU  HB2         3.50    (#   6041:20  Preassigned    2.41, 3.55 A)
 &rst
  ixpk= 6041, nxpk= 20, iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2326,2327,2328,2330,2331,2332,
 &end
#
#  156 LEU  QD1         157 ASP  QB          4.50    (#   6043:20  Preassigned    4.10, 6.30 A)
 &rst
  ixpk= 6043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2398,2399,2400,
 igr2=2412,2413,
 &end
#
#  156 LEU  QD2         157 ASP  QB          6.00    (#   6044:20  Preassigned    4.59, 6.37 A)
 &rst
  ixpk= 6044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2402,2403,2404,
 igr2=2412,2413,
 &end
#
#  128 LEU  QD1         128 LEU  HB2         6.00    (#   6048:20  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 6048, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  128 LEU  QD1         153 LEU  HB2         3.50    (#   6050:20  Double         0.00, 0.00)
 &rst
  ixpk= 6050, nxpk= 20, iat=  -1,2340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1939,1940,1941,
 &end
#
#  153 LEU  QD1         128 LEU  HB2         6.00    (#   6052:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 6052, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2345,2346,2347,
 &end
#
#  153 LEU  QD1         153 LEU  HB2         3.50    (#   6053:20  Preassigned    2.26, 3.15 A)
 &rst
  ixpk= 6053, nxpk= 20, iat=  -1,2340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  140 LEU  QQD         140 LEU  HB2         3.50    (#   6054:20  Preassigned    2.36, 3.43 A)
 &rst
  ixpk= 6054, nxpk= 20, iat=  -1,2139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  153 LEU  QD1         153 LEU  HB3         3.50    (#   6055:20  Preassigned    2.99, 3.73 A)
 &rst
  ixpk= 6055, nxpk= 20, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2345,2346,2347,
 &end
#
#  164 VAL  QG2         128 LEU  HB2         6.00    (#   6056:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 6056, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2500,2501,2502,
 &end
#
#  128 LEU  QD2         128 LEU  HB2         4.50    (#   6058:20  Preassigned    2.40, 3.46 A)
 &rst
  ixpk= 6058, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1943,1944,1945,
 &end
#
#  128 LEU  QD2         128 LEU  HB3         4.50    (#   6059:20  Preassigned    2.31, 3.14 A)
 &rst
  ixpk= 6059, nxpk= 20, iat=  -1,1935, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1943,1944,1945,
 &end
#
#  153 LEU  QD1         128 LEU  HB2         6.00    (#   6063:20  Preassigned    3.43, 4.88 A)
 &rst
  ixpk= 6063, nxpk= 20, iat=  -1,1934, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2345,2346,2347,
 &end
#
#  156 LEU  QD1         156 LEU  HB3         4.50    (#   6064:20  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 6064, nxpk= 20, iat=  -1,2394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2398,2399,2400,
 &end
#
#  131 LEU  HB3         113 TYR  HB3         6.00    (#   6066:20  Preassigned    5.04, 5.48 A)
 &rst
  ixpk= 6066, nxpk= 20, iat=1992,1730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 LEU  QQD         113 TYR  HB2         4.50    (#   6067:20  Preassigned    2.14, 4.61 A)
 &rst
  ixpk= 6067, nxpk= 20, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  123 LEU  QQD         113 TYR  HB3         4.50    (#   6068:20  Preassigned    2.74, 4.89 A)
 &rst
  ixpk= 6068, nxpk= 20, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1862,1863,1864,1866,1867,1868,
 &end
#
#  128 LEU  QD1         169 PHE  HB2         6.00    (#   6075:20  Preassigned    4.82, 6.42 A)
 &rst
  ixpk= 6075, nxpk= 20, iat=  -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  164 VAL  QG1         172 PHE  HB2         6.00    (#   6076:20  Double         0.00, 0.00)
 &rst
  ixpk= 6076, nxpk= 20, iat=  -1,2623, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2496,2497,2498,
 &end
#
#  164 VAL  QG1         169 PHE  HB3         4.50    (#   6077:20  Double         0.00, 0.00)
 &rst
  ixpk= 6077, nxpk= 20, iat=  -1,2569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  128 LEU  QD1         169 PHE  HB2         6.00    (#   6078:20  Preassigned    4.82, 6.42 A)
 &rst
  ixpk= 6078, nxpk= 20, iat=  -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  107 ILE  QG2         110 PHE  HB3         4.50    (#   6081:20  Preassigned    3.97, 5.41 A)
 &rst
  ixpk= 6081, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1629,1630,1631,
 &end
#
#  171 VAL  QG2         159 ASN  HB2         4.50    (#   6082:20  Double         0.00, 0.00)
 &rst
  ixpk= 6082, nxpk= 20, iat=  -1,2434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2613,2614,2615,
 &end
#
#  156 LEU  QD1         172 PHE  HB2         3.50    (#   6083:20  Preassigned    2.15, 4.01 A)
 &rst
  ixpk= 6083, nxpk= 20, iat=  -1,2623, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2398,2399,2400,
 &end
#
#  156 LEU  QD1         172 PHE  HB3         4.50    (#   6084:20  Preassigned    2.28, 3.99 A)
 &rst
  ixpk= 6084, nxpk= 20, iat=  -1,2624, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2398,2399,2400,
 &end
#
#  156 LEU  QD1         169 PHE  HB2         6.00    (#   6085:20  Double         0.00, 0.00)
 &rst
  ixpk= 6085, nxpk= 20, iat=  -1,2568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2398,2399,2400,
 &end
#
#  106 ILE  QG1         106 ILE  HB          3.50    (#   6105:20  Preassigned    2.25, 2.47 A)
 &rst
  ixpk= 6105, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1614,1615,
 &end
#
#  136 LEU  QD1         139 PHE  QB          4.50    (#   6107:20  Preassigned    2.49, 6.28 A)
 &rst
  ixpk= 6107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2084,2085,2086,
 igr2=2119,2120,
 &end
#
#  106 ILE  QD          106 ILE  HB          3.50    (#   6108:20  Preassigned    2.30, 3.70 A)
 &rst
  ixpk= 6108, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1617,1618,1619,
 &end
#
#  123 LEU  QQD         127 GLU  QG          6.00    (#   6111:20  Preassigned    2.35, 5.31 A)
 &rst
  ixpk= 6111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1862,1863,1864,1866,1867,1868,
 igr2=1922,1923,
 &end
#
#  170 ILE  QD          106 ILE  HB          4.50    (#   6113:20  Preassigned    2.27, 3.69 A)
 &rst
  ixpk= 6113, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2597,2598,2599,
 &end
#
#  170 ILE  QD          107 ILE  HB          4.50    (#   6114:20  Unique         4.23, 5.49 A)
 &rst
  ixpk= 6114, nxpk= 20, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2597,2598,2599,
 &end
#
#  129 LYS  HG3         133 GLU  QG          4.50    (#   6115:20  Preassigned    4.31, 6.18 A)
 &rst
  ixpk= 6115, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2030,2031,
 &end
#
#  124 THR  QG          127 GLU  QG          4.50    (#   6116:20  Double         0.00, 0.00)
 &rst
  ixpk= 6116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1878,1879,1880,
 igr2=1922,1923,
 &end
#
#  164 VAL  QG1         168 GLU  HG2         4.50    (#   6118:20  Preassigned    3.18, 5.73 A)
 &rst
  ixpk= 6118, nxpk= 20, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2496,2497,2498,
 &end
#
#  140 LEU  QQD         133 GLU  QG          4.50    (#   6120:20  Double         0.00, 0.00)
 &rst
  ixpk= 6120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2030,2031,
 &end
#
#  176 ILE  QG2         176 ILE  HB          3.50    (#   6122:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 6122, nxpk= 20, iat=  -1,2679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2681,2682,2683,
 &end
#
#  173 VAL  QG2         176 ILE  HB          6.00    (#   6124:20  Preassigned    3.48, 4.98 A)
 &rst
  ixpk= 6124, nxpk= 20, iat=  -1,2679, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2649,2650,2651,
 &end
#
#  106 ILE  QG1         170 ILE  HB          6.00    (#   6131:20  Preassigned    4.45, 5.99 A)
 &rst
  ixpk= 6131, nxpk= 20, iat=  -1,2588, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1614,1615,
 &end
#
#  128 LEU  QD1         123 LEU  HG          4.50    (#   6132:20  Preassigned    3.75, 4.54 A)
 &rst
  ixpk= 6132, nxpk= 20, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1939,1940,1941,
 &end
#
#  170 ILE  QG1         170 ILE  HB          3.50    (#   6133:20  Preassigned    2.27, 2.60 A)
 &rst
  ixpk= 6133, nxpk= 20, iat=  -1,2588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2594,2595,
 &end
#
#  170 ILE  QG2         170 ILE  HB          3.50    (#   6135:20  Preassigned    2.23, 2.66 A)
 &rst
  ixpk= 6135, nxpk= 20, iat=  -1,2588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2590,2591,2592,
 &end
#
#  128 LEU  QD1         125 LYS  QG          6.00    (#   6142:20  Double         0.00, 0.00)
 &rst
  ixpk= 6142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1939,1940,1941,
 igr2=1893,1894,
 &end
#
#  124 THR  QG          163 GLN  HG2         4.50    (#   6145:20  Preassigned    4.15, 4.74 A)
 &rst
  ixpk= 6145, nxpk= 20, iat=  -1,2480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1878,1879,1880,
 &end
#
#  124 THR  QG          163 GLN  HG3         4.50    (#   6146:20  Preassigned    4.99, 5.77 A)
 &rst
  ixpk= 6146, nxpk= 20, iat=  -1,2481, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1878,1879,1880,
 &end
#
#  122 THR  QG          163 GLN  HG2         4.50    (#   6148:20  Preassigned    3.43, 5.13 A)
 &rst
  ixpk= 6148, nxpk= 20, iat=  -1,2480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  122 THR  QG          163 GLN  HG3         4.50    (#   6149:20  Preassigned    4.52, 5.84 A)
 &rst
  ixpk= 6149, nxpk= 20, iat=  -1,2481, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1845,1846,1847,
 &end
#
#  164 VAL  QG1         164 VAL  HB          3.50    (#   6150:20  Preassigned    2.37, 2.64 A)
 &rst
  ixpk= 6150, nxpk= 20, iat=  -1,2494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2496,2497,2498,
 &end
#
#  164 VAL  QG2         164 VAL  HB          3.50    (#   6152:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 6152, nxpk= 20, iat=  -1,2494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2500,2501,2502,
 &end
#
#  156 LEU  QD1         164 VAL  HB          4.50    (#   6155:20  Preassigned    3.61, 4.84 A)
 &rst
  ixpk= 6155, nxpk= 20, iat=  -1,2494, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2398,2399,2400,
 &end
#
#  131 LEU  QD2         134 LYS  QB          6.00    (#   6158:20  Preassigned    2.84, 6.01 A)
 &rst
  ixpk= 6158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2000,2001,2002,
 igr2=2042,2043,
 &end
#
#  131 LEU  HB3         134 LYS  QB          4.50    (#   6160:20  Preassigned    4.43, 5.39 A)
 &rst
  ixpk= 6160, nxpk= 20, iat=1992,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2042,2043,
 &end
#
#  149 VAL  QG2         132 MET  HG2         4.50    (#   6167:20  Double         0.00, 0.00)
 &rst
  ixpk= 6167, nxpk= 20, iat=  -1,2013, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2277,2278,2279,
 &end
#
#  131 LEU  QD1         132 MET  HG2         4.50    (#   6171:20  Preassigned    4.57, 5.71 A)
 &rst
  ixpk= 6171, nxpk= 20, iat=  -1,2013, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1996,1997,1998,
 &end
#
#  128 LEU  QD2         132 MET  HG3         4.50    (#   6172:20  Double         0.00, 0.00)
 &rst
  ixpk= 6172, nxpk= 20, iat=  -1,2014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1943,1944,1945,
 &end
#
#  129 LYS  HG3         132 MET  HG2         6.00    (#   6174:20  Double         0.00, 0.00)
 &rst
  ixpk= 6174, nxpk= 20, iat=1957,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 VAL  QQG         109 VAL  HB          3.50    (#   6176:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 6176, nxpk= 20, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1660,1661,1662,1664,1665,1666,
 &end
#
#  149 VAL  QG1         149 VAL  HB          3.50    (#   6177:20  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 6177, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2273,2274,2275,
 &end
#
#  131 LEU  QD2         109 VAL  HB          6.00    (#   6180:20  Unique         3.80, 6.36 A)
 &rst
  ixpk= 6180, nxpk= 20, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2000,2001,2002,
 &end
#
#  136 LEU  QD1         135 GLU  QG          4.50    (#   6184:20  Unique         2.15, 6.24 A)
 &rst
  ixpk= 6184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2084,2085,2086,
 igr2=2067,2068,
 &end
#
#  149 VAL  QG2         129 LYS  HB2         3.50    (#   6185:20  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 6185, nxpk= 20, iat=  -1,1953, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2277,2278,2279,
 &end
#
#  173 VAL  QG1         173 VAL  HB          3.50    (#   6189:20  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 6189, nxpk= 20, iat=  -1,2643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2645,2646,2647,
 &end
#
#  171 VAL  QG2         171 VAL  HB          3.50    (#   6190:20  Preassigned    2.35, 2.67 A)
 &rst
  ixpk= 6190, nxpk= 20, iat=  -1,2607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2613,2614,2615,
 &end
#
#  170 ILE  QD          173 VAL  HB          3.50    (#   6192:20  Preassigned    2.24, 2.64 A)
 &rst
  ixpk= 6192, nxpk= 20, iat=  -1,2643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2597,2598,2599,
 &end
#
#  100 GLU  HG3          96 MET  QG          6.00    (#   6193:20  Preassigned    5.65, 6.99 A)
 &rst
  ixpk= 6193, nxpk= 20, iat=1536,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1470,1471,
 &end
#
#  106 ILE  QG1         103 MET  HG3         6.00    (#   6195:20  Preassigned    2.36, 5.01 A)
 &rst
  ixpk= 6195, nxpk= 20, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1614,1615,
 &end
#
#  131 LEU  QD1         135 GLU  QG          4.50    (#   6198:20  Preassigned    2.31, 4.58 A)
 &rst
  ixpk= 6198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1996,1997,1998,
 igr2=2067,2068,
 &end
#
#  122 THR  QG          163 GLN  QB          3.50    (#   6200:20  Preassigned    2.07, 3.79 A)
 &rst
  ixpk= 6200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1845,1846,1847,
 igr2=2477,2478,
 &end
#
#  131 LEU  QD1         135 GLU  QB          4.50    (#   6202:20  Preassigned    3.65, 6.32 A)
 &rst
  ixpk= 6202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1996,1997,1998,
 igr2=2064,2065,
 &end
#
#  131 LEU  QD2         135 GLU  QB          4.50    (#   6203:20  Preassigned    3.74, 5.88 A)
 &rst
  ixpk= 6203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2000,2001,2002,
 igr2=2064,2065,
 &end
#
#  164 VAL  QG2         168 GLU  HB2         3.50    (#   6207:20  Double         0.00, 0.00)
 &rst
  ixpk= 6207, nxpk= 20, iat=  -1,2553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2500,2501,2502,
 &end
#
#  149 VAL  QG1         129 LYS  QD          3.50    (#   6218:20  Double         0.00, 0.00)
 &rst
  ixpk= 6218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2273,2274,2275,
 igr2=1959,1960,
 &end
#
#  128 LEU  QD1         128 LEU  HG          3.50    (#   6231:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 6231, nxpk= 20, iat=  -1,1937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1939,1940,1941,
 &end
#
#  164 VAL  QG2         153 LEU  HG          3.50    (#   6234:20  Preassigned    2.24, 2.66 A)
 &rst
  ixpk= 6234, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2500,2501,2502,
 &end
#
#  140 LEU  QQD         152 LEU  HG          4.50    (#   6235:20  Double         0.00, 0.00)
 &rst
  ixpk= 6235, nxpk= 20, iat=  -1,2324, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  189 LEU  QD2         189 LEU  HG          3.50    (#   6236:20  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 6236, nxpk= 20, iat=  -1,2885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2891,2892,2893,
 &end
#
#  140 LEU  QQD         140 LEU  HG          3.50    (#   6237:20  Preassigned    2.29, 2.64 A)
 &rst
  ixpk= 6237, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  170 ILE  QD          170 ILE  QG1         3.50    (#   6238:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 6238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2597,2598,2599,
 igr2=2594,2595,
 &end
#
#  128 LEU  QD2         128 LEU  HG          3.50    (#   6245:20  Preassigned    2.31, 2.65 A)
 &rst
  ixpk= 6245, nxpk= 20, iat=  -1,1937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1943,1944,1945,
 &end
#
#  156 LEU  QD2         156 LEU  HG          6.00    (#   6248:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 6248, nxpk= 20, iat=  -1,2396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2402,2403,2404,
 &end
#
#  156 LEU  QD1         156 LEU  HG          6.00    (#   6251:20  Preassigned    2.13, 2.61 A)
 &rst
  ixpk= 6251, nxpk= 20, iat=  -1,2396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2398,2399,2400,
 &end
#
#  169 PHE  HE1         173 VAL  QG2         4.50    (#   6369:20  Preassigned    2.40, 4.53 A)
 &rst
  ixpk= 6369, nxpk= 20, iat=2574,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2649,2650,2651,
 &end
#
#   97 THR  HB           97 THR  QG          3.50    (#   6380:20  Preassigned    2.29, 2.65 A)
 &rst
  ixpk= 6380, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1486,1487,1488,
 &end
#
#  122 THR  HA          122 THR  QG          4.50    (#   6385:20  Preassigned    2.43, 3.24 A)
 &rst
  ixpk= 6385, nxpk= 20, iat=1841,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1845,1846,1847,
 &end
#
#  144 LYS  HA          149 VAL  QG1         4.50    (#   6448:20  Double         0.00, 0.00)
 &rst
  ixpk= 6448, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2273,2274,2275,
 &end
#
#  149 VAL  HA          149 VAL  QG1         4.50    (#   6451:20  Preassigned    2.48, 3.27 A)
 &rst
  ixpk= 6451, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2273,2274,2275,
 &end
#
#  173 VAL  HA          173 VAL  QG2         4.50    (#   6452:20  Preassigned    2.13, 2.83 A)
 &rst
  ixpk= 6452, nxpk= 20, iat=2641,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2649,2650,2651,
 &end
#
#  149 VAL  HB          149 VAL  QG1         4.50    (#   6457:20  Preassigned    2.28, 2.65 A)
 &rst
  ixpk= 6457, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2273,2274,2275,
 &end
#
#  171 VAL  HB          171 VAL  QG1         3.50    (#   6460:20  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 6460, nxpk= 20, iat=2607,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2609,2610,2611,
 &end
#
#  173 VAL  HB          173 VAL  QG2         3.50    (#   6462:20  Preassigned    2.24, 2.64 A)
 &rst
  ixpk= 6462, nxpk= 20, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2649,2650,2651,
 &end
#
#  153 LEU  HB3         149 VAL  QG1         4.50    (#   6463:20  Preassigned    5.01, 6.29 A)
 &rst
  ixpk= 6463, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2273,2274,2275,
 &end
#
#  153 LEU  HA          153 LEU  QD2         3.50    (#   6464:20  Preassigned    3.96, 4.51 A)
 &rst
  ixpk= 6464, nxpk= 20, iat=2338,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2349,2350,2351,
 &end
#
#  156 LEU  HA          156 LEU  QD2         4.50    (#   6465:20  Preassigned    3.20, 4.35 A)
 &rst
  ixpk= 6465, nxpk= 20, iat=2391,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2402,2403,2404,
 &end
#
#  170 ILE  HA          173 VAL  QG2         4.50    (#   6466:20  Preassigned    3.46, 4.63 A)
 &rst
  ixpk= 6466, nxpk= 20, iat=2586,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2649,2650,2651,
 &end
#
#  156 LEU  HG          156 LEU  QD2         3.50    (#   6471:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 6471, nxpk= 20, iat=2396,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2402,2403,2404,
 &end
#
#  153 LEU  HG          153 LEU  QD2         3.50    (#   6472:20  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 6472, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2349,2350,2351,
 &end
#
#  176 ILE  HB          173 VAL  QG2         4.50    (#   6473:20  Preassigned    3.48, 4.98 A)
 &rst
  ixpk= 6473, nxpk= 20, iat=2679,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2649,2650,2651,
 &end
#
#  154 LYS  QB          156 LEU  QD2         4.50    (#   6474:20  Preassigned    3.75, 5.04 A)
 &rst
  ixpk= 6474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2359,2360,
 igr2=2402,2403,2404,
 &end
#
#  125 LYS  HB3         124 THR  QG          4.50    (#   6476:20  Preassigned    4.36, 5.69 A)
 &rst
  ixpk= 6476, nxpk= 20, iat=1891,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1878,1879,1880,
 &end
#
#  129 LYS  QD          149 VAL  QG1         4.50    (#   6477:20  Double         0.00, 0.00)
 &rst
  ixpk= 6477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1959,1960,
 igr2=2273,2274,2275,
 &end
#
#  156 LEU  HB3         156 LEU  QD2         3.50    (#   6483:20  Preassigned    2.36, 3.20 A)
 &rst
  ixpk= 6483, nxpk= 20, iat=2394,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2402,2403,2404,
 &end
#
#  153 LEU  HB3         153 LEU  QD2         3.50    (#   6484:20  Preassigned    2.21, 2.88 A)
 &rst
  ixpk= 6484, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2349,2350,2351,
 &end
#
#   97 THR  HA           97 THR  QG          4.50    (#   6485:20  Preassigned    2.46, 3.54 A)
 &rst
  ixpk= 6485, nxpk= 20, iat=1482,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1486,1487,1488,
 &end
#
#  164 VAL  HA          164 VAL  QG1         4.50    (#   6486:20  Preassigned    2.53, 3.25 A)
 &rst
  ixpk= 6486, nxpk= 20, iat=2492,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2496,2497,2498,
 &end
#
#   96 MET  HA           97 THR  QG          6.00    (#   6487:20  Preassigned    3.22, 4.72 A)
 &rst
  ixpk= 6487, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1486,1487,1488,
 &end
#
#  120 THR  HA          120 THR  QG          3.50    (#   6488:20  Preassigned    2.48, 3.34 A)
 &rst
  ixpk= 6488, nxpk= 20, iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1814,1815,1816,
 &end
#
#   96 MET  HA           97 THR  QG          6.00    (#   6489:20  Preassigned    3.22, 4.72 A)
 &rst
  ixpk= 6489, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1486,1487,1488,
 &end
#
#  120 THR  HB          120 THR  QG          3.50    (#   6493:20  Double         0.00, 0.00)
 &rst
  ixpk= 6493, nxpk= 20, iat=1812,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1814,1815,1816,
 &end
#
#  125 LYS  HA          124 THR  QG          4.50    (#   6494:20  Preassigned    4.86, 5.85 A)
 &rst
  ixpk= 6494, nxpk= 20, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1878,1879,1880,
 &end
#
#  149 VAL  HA          149 VAL  QG2         4.50    (#   6495:20  Preassigned    2.26, 3.05 A)
 &rst
  ixpk= 6495, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2277,2278,2279,
 &end
#
#  170 ILE  HA          173 VAL  QG1         6.00    (#   6498:20  Preassigned    3.63, 4.45 A)
 &rst
  ixpk= 6498, nxpk= 20, iat=2586,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2645,2646,2647,
 &end
#
#  155 ASP  HB2         156 LEU  QD2         6.00    (#   6500:20  Double         0.00, 0.00)
 &rst
  ixpk= 6500, nxpk= 20, iat=2381,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2402,2403,2404,
 &end
#
#  157 ASP  QB          156 LEU  QD2         6.00    (#   6503:20  Preassigned    4.59, 6.37 A)
 &rst
  ixpk= 6503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2412,2413,
 igr2=2402,2403,2404,
 &end
#
#  127 GLU  QG          124 THR  QG          3.50    (#   6505:20  Preassigned    4.15, 4.74 A)
 &rst
  ixpk= 6505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1922,1923,
 igr2=1878,1879,1880,
 &end
#
#  100 GLU  HB2          97 THR  QG          4.50    (#   6507:20  Preassigned    3.06, 4.53 A)
 &rst
  ixpk= 6507, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1486,1487,1488,
 &end
#
#  164 VAL  HB          164 VAL  QG1         3.50    (#   6508:20  Preassigned    2.37, 2.64 A)
 &rst
  ixpk= 6508, nxpk= 20, iat=2494,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2496,2497,2498,
 &end
#
#  156 LEU  HB3         164 VAL  QG1         4.50    (#   6514:20  Double         0.00, 0.00)
 &rst
  ixpk= 6514, nxpk= 20, iat=2394,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2496,2497,2498,
 &end
#
#  122 THR  HB          122 THR  QG          3.50    (#   6516:20  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 6516, nxpk= 20, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1845,1846,1847,
 &end
#
#  140 LEU  HA          149 VAL  QG2         6.00    (#   6517:20  Preassigned    4.49, 6.26 A)
 &rst
  ixpk= 6517, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2277,2278,2279,
 &end
#
#  177 THR  HB          177 THR  QG          4.50    (#   6518:20  Preassigned    2.23, 2.64 A)
 &rst
  ixpk= 6518, nxpk= 20, iat=2698,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2700,2701,2702,
 &end
#
#  177 THR  HA          177 THR  QG          4.50    (#   6520:20  Preassigned    2.53, 3.35 A)
 &rst
  ixpk= 6520, nxpk= 20, iat=2696,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2700,2701,2702,
 &end
#
#  165 ASP  HB3         122 THR  QG          6.00    (#   6521:20  Preassigned    2.90, 5.12 A)
 &rst
  ixpk= 6521, nxpk= 20, iat=2511,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1845,1846,1847,
 &end
#
#  149 VAL  HB          149 VAL  QG2         3.50    (#   6523:20  Preassigned    2.30, 2.66 A)
 &rst
  ixpk= 6523, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2277,2278,2279,
 &end
#
#  168 GLU  HB3         164 VAL  QG1         4.50    (#   6528:20  Preassigned    2.07, 3.79 A)
 &rst
  ixpk= 6528, nxpk= 20, iat=2554,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2496,2497,2498,
 &end
#
#  173 VAL  HB          173 VAL  QG1         3.50    (#   6531:20  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 6531, nxpk= 20, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2645,2646,2647,
 &end
#
#  164 VAL  HA          164 VAL  QG2         6.00    (#   6532:20  Preassigned    2.48, 3.14 A)
 &rst
  ixpk= 6532, nxpk= 20, iat=2492,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2500,2501,2502,
 &end
#
#  125 LYS  HA          164 VAL  QG2         6.00    (#   6534:20  Preassigned    4.62, 6.00 A)
 &rst
  ixpk= 6534, nxpk= 20, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2500,2501,2502,
 &end
#
#  171 VAL  HA          171 VAL  QG2         4.50    (#   6535:20  Preassigned    2.41, 3.26 A)
 &rst
  ixpk= 6535, nxpk= 20, iat=2605,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2613,2614,2615,
 &end
#
#  164 VAL  HB          164 VAL  QG2         3.50    (#   6538:20  Preassigned    2.21, 2.65 A)
 &rst
  ixpk= 6538, nxpk= 20, iat=2494,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2500,2501,2502,
 &end
#
#  171 VAL  HB          171 VAL  QG2         3.50    (#   6539:20  Preassigned    2.35, 2.67 A)
 &rst
  ixpk= 6539, nxpk= 20, iat=2607,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2613,2614,2615,
 &end
#
#  156 LEU  HB3         164 VAL  QG2         3.50    (#   6541:20  Preassigned    2.85, 5.25 A)
 &rst
  ixpk= 6541, nxpk= 20, iat=2394,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2500,2501,2502,
 &end
#
#  102 ALA  HA          102 ALA  QB          4.50    (#   6556:20  Preassigned    2.21, 2.64 A)
 &rst
  ixpk= 6556, nxpk= 20, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1557,1558,1559,
 &end
#
#  162 ALA  HA          162 ALA  QB          3.50    (#   6557:20  Preassigned    2.43, 2.67 A)
 &rst
  ixpk= 6557, nxpk= 20, iat=2465,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2467,2468,2469,
 &end
#
#  179 ALA  HA          179 ALA  QB          3.50    (#   6558:20  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 6558, nxpk= 20, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2723,2724,2725,
 &end
#
#   98 GLU  HA          102 ALA  QB          4.50    (#   6559:20  Preassigned    2.95, 5.52 A)
 &rst
  ixpk= 6559, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1557,1558,1559,
 &end
#
#  159 ASN  HB2         158 ALA  QB          4.50    (#   6561:20  Double         0.00, 0.00)
 &rst
  ixpk= 6561, nxpk= 20, iat=2434,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2424,2425,2426,
 &end
#
#  153 LEU  HG          162 ALA  QB          4.50    (#   6568:20  Preassigned    4.50, 6.18 A)
 &rst
  ixpk= 6568, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2467,2468,2469,
 &end
#
#  148 ALA  HA          148 ALA  QB          3.50    (#   6573:20  Preassigned    2.30, 2.61 A)
 &rst
  ixpk= 6573, nxpk= 20, iat=2259,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2261,2262,2263,
 &end
#
#  176 ILE  HA          179 ALA  QB          4.50    (#   6574:20  Preassigned    2.12, 3.17 A)
 &rst
  ixpk= 6574, nxpk= 20, iat=2677,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2723,2724,2725,
 &end
#
#  152 LEU  HB2         148 ALA  QB          4.50    (#   6581:20  Preassigned    4.93, 6.01 A)
 &rst
  ixpk= 6581, nxpk= 20, iat=2321,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2261,2262,2263,
 &end
#
#  101 ALA  HA          101 ALA  QB          3.50    (#   6587:20  Preassigned    2.26, 2.64 A)
 &rst
  ixpk= 6587, nxpk= 20, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1547,1548,1549,
 &end
#
#  175 ALA  HA          175 ALA  QB          3.50    (#   6590:20  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 6590, nxpk= 20, iat=2667,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2669,2670,2671,
 &end
#
#  174 ALA  HA          174 ALA  QB          3.50    (#   6591:20  Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 6591, nxpk= 20, iat=2657,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2659,2660,2661,
 &end
#
#   96 MET  QG          101 ALA  QB          6.00    (#   6598:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 6598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1470,1471,
 igr2=1547,1548,1549,
 &end
#
#  100 GLU  HB2         101 ALA  QB          4.50    (#   6600:20  Preassigned    4.16, 5.55 A)
 &rst
  ixpk= 6600, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1547,1548,1549,
 &end
#
#  108 ASP  HA          107 ILE  QG2         6.00    (#   6608:20  Preassigned    3.53, 4.77 A)
 &rst
  ixpk= 6608, nxpk= 20, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1629,1630,1631,
 &end
#
#  104 GLY  HA2         107 ILE  QG2         4.50    (#   6612:20  Preassigned    2.98, 4.71 A)
 &rst
  ixpk= 6612, nxpk= 20, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1629,1630,1631,
 &end
#
#  107 ILE  HA          107 ILE  QG2         4.50    (#   6615:20  Preassigned    2.75, 3.47 A)
 &rst
  ixpk= 6615, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1629,1630,1631,
 &end
#
#  167 SER  HA          170 ILE  QG2         4.50    (#   6616:20  Unique         2.20, 2.98 A)
 &rst
  ixpk= 6616, nxpk= 20, iat=2540,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2590,2591,2592,
 &end
#
#  171 VAL  HA          170 ILE  QG2         4.50    (#   6617:20  Preassigned    3.38, 4.58 A)
 &rst
  ixpk= 6617, nxpk= 20, iat=2605,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2590,2591,2592,
 &end
#
#  170 ILE  HA          170 ILE  QG2         4.50    (#   6618:20  Preassigned    3.64, 3.93 A)
 &rst
  ixpk= 6618, nxpk= 20, iat=2586,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2590,2591,2592,
 &end
#
#  107 ILE  HB          107 ILE  QG2         4.50    (#   6623:20  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 6623, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1629,1630,1631,
 &end
#
#  170 ILE  HB          170 ILE  QG2         4.50    (#   6628:20  Preassigned    2.23, 2.66 A)
 &rst
  ixpk= 6628, nxpk= 20, iat=2588,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2590,2591,2592,
 &end
#
#  103 MET  HA          106 ILE  QD          6.00    (#   6656:20  Preassigned    2.10, 4.36 A)
 &rst
  ixpk= 6656, nxpk= 20, iat=1565,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1617,1618,1619,
 &end
#
#  106 ILE  HA          106 ILE  QD          6.00    (#   6660:20  Preassigned    2.77, 4.18 A)
 &rst
  ixpk= 6660, nxpk= 20, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1617,1618,1619,
 &end
#
#  103 MET  HB3         106 ILE  QD          4.50    (#   6669:20  Preassigned    4.45, 6.34 A)
 &rst
  ixpk= 6669, nxpk= 20, iat=1568,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1617,1618,1619,
 &end
#
#  106 ILE  QG1         173 VAL  QG2         4.50    (#   6785:20  Double         0.00, 0.00)
 &rst
  ixpk= 6785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1614,1615,
 igr2=2649,2650,2651,
 &end
#
#  156 LEU  QD1         164 VAL  QG1         3.50    (#   6806:20  Preassigned    2.09, 3.71 A)
 &rst
  ixpk= 6806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2398,2399,2400,
 igr2=2496,2497,2498,
 &end
#
#  106 ILE  QD          102 ALA  QB          4.50    (#   6826:20  Preassigned    2.81, 5.45 A)
 &rst
  ixpk= 6826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1617,1618,1619,
 igr2=1557,1558,1559,
 &end
#
#  149 VAL  QG2         148 ALA  QB          3.50    (#   6827:20  Preassigned    4.02, 6.13 A)
 &rst
  ixpk= 6827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2277,2278,2279,
 igr2=2261,2262,2263,
 &end
#
#  170 ILE  QD          106 ILE  QD          4.50    (#   6876:20  Preassigned    2.66, 5.33 A)
 &rst
  ixpk= 6876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2597,2598,2599,
 igr2=1617,1618,1619,
 &end
#
#  129 LYS  HB3         126 GLY  QA          4.50    (#   6949:20  Preassigned    2.32, 4.07 A)
 &rst
  ixpk= 6949, nxpk= 20, iat=1954,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1910,1911,
 &end
#
#  112 ARG  HG3         112 ARG  HD3         4.50    (#   6950:20  Preassigned    2.36, 2.83 A)
 &rst
  ixpk= 6950, nxpk= 20, iat=1709,1712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  173 VAL  HB          172 PHE  HB3         6.00    (#   6951:20  Preassigned    4.25, 4.85 A)
 &rst
  ixpk= 6951, nxpk= 20, iat=2643,2624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  177 THR  HB          177 THR  HA          4.50    (#   6952:20  Unique         2.37, 2.57 A)
 &rst
  ixpk= 6952, nxpk= 20, iat=2698,2696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 GLU  QG          123 LEU  HB3         6.00    (#   6953:20  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 6953, nxpk= 20, iat=  -1,1858, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1922,1923,
 &end
#
#  189 LEU  QD1         189 LEU  HA          4.50    (#   6954:20  Preassigned    2.37, 4.05 A)
 &rst
  ixpk= 6954, nxpk= 20, iat=  -1,2880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2887,2888,2889,
 &end
#
#  154 LYS  HG2         157 ASP  QB          4.50    (#   6957:20  Preassigned    4.04, 4.81 A)
 &rst
  ixpk= 6957, nxpk= 20, iat=2362,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2412,2413,
 &end
#
#  131 LEU  HB3         132 MET  HG2         6.00    (#   6958:20  Preassigned    2.57, 3.64 A)
 &rst
  ixpk= 6958, nxpk= 20, iat=1992,2013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 ALA  QB           96 MET  QG          4.50    (#   6960:20  Preassigned    2.22, 3.70 A)
 &rst
  ixpk= 6960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1547,1548,1549,
 igr2=1470,1471,
 &end
#
#  128 LEU  QD1         132 MET  HG2         6.00    (#   6962:20  Double         0.00, 0.00)
 &rst
  ixpk= 6962, nxpk= 20, iat=  -1,2013, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1939,1940,1941,
 &end
#
#  100 GLU  HB3          97 THR  QG          3.50    (#   6965:20  Preassigned    3.51, 5.62 A)
 &rst
  ixpk= 6965, nxpk= 20, iat=1533,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1486,1487,1488,
 &end
#
#  161 ASP  HB3         162 ALA  QB          6.00    (#   6968:20  Preassigned    4.17, 6.26 A)
 &rst
  ixpk= 6968, nxpk= 20, iat=2456,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2467,2468,2469,
 &end
#
#  170 ILE  HB          171 VAL  QG2         4.50    (#   6969:20  Double         0.00, 0.00)
 &rst
  ixpk= 6969, nxpk= 20, iat=2588,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2613,2614,2615,
 &end
#
#   98 GLU  HG3          98 GLU  HA          3.50    (#   6970:20  Preassigned    2.31, 2.90 A)
 &rst
  ixpk= 6970, nxpk= 20, iat=1502,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  156 LEU  HB2         159 ASN  HB3         4.50    (#   6972:20  Unique         2.23, 4.93 A)
 &rst
  ixpk= 6972, nxpk= 20, iat=2393,2435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 VAL  QG2         132 MET  HG3         3.50    (#   6973:20  Double         0.00, 0.00)
 &rst
  ixpk= 6973, nxpk= 20, iat=  -1,2014, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2277,2278,2279,
 &end
#
#  140 LEU  HB3         137 PRO  HA          4.50    (#   6974:20  Preassigned    5.42, 6.68 A)
 &rst
  ixpk= 6974, nxpk= 20, iat=2140,2104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#
#  135 GLU  QB            5 GLU  HN          4.50    (#   2825:10  Preassigned    4.32, 5.12 A)
 &rst
  ixpk= 2825, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 iat=  -1,  69, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55,
ifvari= 1,  nstep1= 0, nstep2= 20000,
      rk2=40.0, rk3=40.0, rk2a=40.0, rk3a=40.0, ir6=1, ialtd=0,
 igr1=2064,2065,
 &end
#
#  176 ILE  QG2           5 GLU  HN          4.50    (#   3364:10  Preassigned    6.64, 7.24 A)
 &rst
  ixpk= 3364, nxpk= 10, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,  69, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1=2681,2682,2683,
 &end
#
#  173 VAL  QG1           8 MET  HN          4.50    (#   3731:10  Preassigned    5.17, 5.50 A)
 &rst
  ixpk= 3731, nxpk= 10, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1, 104, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1=2645,2646,2647,
 &end
#
#  106 ILE  QD            7 ALA  HN          4.50    (#   3983:10  Preassigned    3.97, 4.93 A)
 &rst
  ixpk= 3983, nxpk= 10, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,  94, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1=1617,1618,1619,
 &end
#
#  135 GLU  HA            3 GLU  HN          4.50    (#   4409:10  Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 4409, nxpk= 10, iat=2062,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  
 iat=2062,  35, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00, 
ifvari= 1,  nstep1= 0, nstep2= 20000,
 &end 
#
#  135 GLU  HA            4 LEU  HN          4.50    (#   4572:10  Preassigned    3.84, 3.84 A)
 &rst
  ixpk= 4572, nxpk= 10, iat=2062,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 iat=2062,  50, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 &end
#
#   40 GLU  QB          100 GLU  HN          4.50    (#   7927:10  Preassigned    4.32, 5.12 A)
 &rst
  ixpk= 7927, nxpk= 10, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 iat=  -1,1528, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1= 605, 606,
 &end
#
#   81 ILE  QG2         100 GLU  HN          4.50    (#   8466:10  Preassigned    6.64, 7.24 A)
 &rst
  ixpk= 8466, nxpk= 10, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1528, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1=1222,1223,1224,
 &end
#
#   78 VAL  QG1         103 MET  HN          4.50    (#   8833:10  Preassigned    5.17, 5.50 A)
 &rst
  ixpk= 8833, nxpk= 10, iat=  -1,1563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1563, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1=1186,1187,1188,
 &end
#
#   11 ILE  QD          102 ALA  HN          4.50    (#   9085:10  Preassigned    4.57, 5.48 A)
 &rst
  ixpk= 9085, nxpk= 10, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1553, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1,  nstep1= 0, nstep2= 20000,
 igr1= 158, 159, 160,
 &end
#
#   40 GLU  HA           98 GLU  HN          4.50    (#   9511:10  Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 9511, nxpk= 10, iat= 603,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  
 iat= 603,1494, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00,
ifvari= 1,  nstep1= 0, nstep2= 20000,
&end
#
#   40 GLU  HA           99 LEU  HN          4.50    (#   9674:10  Preassigned    3.84, 3.84 A)
 &rst
  ixpk= 9674, nxpk= 10, iat= 603,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  
 iat= 603,1509, r1a= 1.30, r2a= 1.80, r3a= 4.50, r4a= 5.00,
ifvari= 1,  nstep1= 0, nstep2= 20000,
&end
#
#  103 MET  HG2          82 THR  HB          6.00    (#    259:20  Preassigned    4.46, 4.46 A)
 &rst
  ixpk= 259, nxpk= 20, iat=1570,1239, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 iat=1570,1239, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
      rk2=40.0, rk3=40.0, rk2a=40.0, rk3a=40.0, ir6=1, ialtd=0,
 &end
#
#  103 MET  HG3          82 THR  HA          6.00    (#    288:20  Preassigned    5.94, 5.94 A)
 &rst
  ixpk= 288, nxpk= 20, iat=1571,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=1571,1237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
&end
#
#  170 ILE  QD           82 THR  HB          6.00    (#    501:20  Preassigned    2.48, 3.16 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,1239, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2597,2598,2599,
 &end
#
#  170 ILE  QG2          82 THR  HB          6.00    (#    505:20  Preassigned    4.15, 5.04 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,1239, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2590,2591,2592,
 &end
#
#  170 ILE  HA           79 ALA  HA          6.00    (#    935:20  Preassigned    5.36, 5.36 A)
 &rst
  ixpk= 935, nxpk= 20, iat=2586,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=2586,1198, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#  100 GLU  HB2          40 GLU  HA          6.00    (#    939:20  Preassigned    5.93, 5.93 A)
 &rst
  ixpk= 939, nxpk= 20, iat=1532, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=1532, 603, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#   97 THR  QG           40 GLU  HA          6.00    (#    942:20  Preassigned    2.37, 3.25 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1, 603, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1486,1487,1488,
 &end
#
#  103 MET  HG2          79 ALA  HA          6.00    (#    956:20  Preassigned    5.37, 5.37 A)
 &rst
  ixpk= 956, nxpk= 20, iat=1570,1198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=1570,1198, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#   97 THR  QG           42 PRO  HD2         6.00    (#   1088:20  Preassigned    2.62, 3.26 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1, 636, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1486,1487,1488,
 &end
#
#  100 GLU  HG3          40 GLU  HA          6.00    (#   1290:20  Preassigned    4.73, 4.73 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1536, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=1536, 603, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#  170 ILE  QG2          79 ALA  HA          4.50    (#   1296:20  Preassigned    4.06, 4.56 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1198, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2590,2591,2592,
 &end
#
#  177 THR  QG           71 PHE  QB          6.00    (#   2342:20  Preassigned    6.73, 7.88 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 8.09, r4a= 8.59,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2700,2701,2702,
 igr2=1063,1064,
 &end
#
#  176 ILE  QG2           5 GLU  HG2         4.50    (#   2356:20  Preassigned    6.35, 6.69 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,  76, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2681,2682,2683,
 &end
#
#  100 GLU  HG2          78 VAL  QG1         4.50    (#   2362:20  Preassigned    5.59, 6.75 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=1535,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1186,1187,1188,
 &end
#
#  173 VAL  QG1           5 GLU  HG3         6.00    (#   2363:20)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,  77, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2645,2646,2647,
 &end
#
#  177 THR  QG            8 MET  HG2         4.50    (#   2460:20  Preassigned    4.00, 4.52 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1, 111, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2700,2701,2702,
 &end
#
#  109 VAL  QQG           3 GLU  QB          4.50    (#   2468:20  Preassigned    2.43, 4.86 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.81, r4a= 7.31,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1660,1661,1662,1664,1665,1666,
 igr2=  39,  40,
 &end
#
#  134 LYS  HA            2 THR  QG          6.00    (#   2754:20  Preassigned    4.77, 5.32 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=2040,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=2040,  -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  27,  28,  29,
 &end
#
#  137 PRO  HD2           2 THR  QG          4.50    (#   2759:20  Preassigned    2.62, 3.26 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=2095,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=2095,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  27,  28,  29,
 &end
#
#  137 PRO  HD3           2 THR  QG          4.50    (#   2760:20  Preassigned    2.53, 3.37 A)
 &rst
  ixpk= 2760, nxpk= 20, iat=2096,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=2096,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  27,  28,  29,
 &end
#
#  137 PRO  HB3           2 THR  QG          4.50    (#   2773:20  Preassigned    5.41, 6.46 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=2102,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=2102,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  27,  28,  29,
 &end
#
#  105 MET  QB            7 ALA  QB          4.50    (#   2825:20  Preassigned    2.39, 3.74 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1591,1592,
 igr2=  98,  99, 100,
 &end
#
#  105 MET  HG2           7 ALA  QB          4.50    (#   2828:20  Preassigned    2.38, 3.39 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=1594,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=1594,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  98,  99, 100,
 &end
#
#  105 MET  HG3           7 ALA  QB          4.50    (#   2830:20  Preassigned    3.90, 4.90 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=1595,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=1595,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=  98,  99, 100,
 &end
#
#  174 ALA  HA           75 ILE  QG2         6.00    (#   2877:20  Preassigned    4.06, 4.56 A)
 &rst
  ixpk= 2877, nxpk= 20, iat=2657,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=2657,  -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1131,1132,1133,
 &end
#
#  102 ALA  QB           11 ILE  QD          4.50    (#   2937:20  Preassigned    3.34, 4.77 A)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.49, r4a= 6.99,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1557,1558,1559,
 igr2= 158, 159, 160,
 &end
#
#  170 ILE  QG2          79 ALA  QB          3.50    (#   3101:20  Preassigned    2.59, 4.51 A)
 &rst
  ixpk= 3101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=2590,2591,2592,
 igr2=1200,1201,1202,
 &end
#
#  106 ILE  QG1           7 ALA  QB          4.50    (#   3230:20  Preassigned    2.22, 3.12 A)
 &rst
  ixpk= 3230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1614,1615,
 igr2=  98,  99, 100,
 &end
#
#    8 MET  HG2         177 THR  HB          6.00    (#   3996:20  Preassigned    4.46, 4.46 A)
 &rst
  ixpk= 3996, nxpk= 20, iat= 111,2698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat= 111,2698, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#    8 MET  HG3         177 THR  HA          6.00    (#   4025:20  Preassigned    5.94, 5.94 A)
 &rst
  ixpk= 4025, nxpk= 20, iat= 112,2696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat= 112,2696, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#   75 ILE  QD          177 THR  HB          6.00    (#   4238:20  Preassigned    2.48, 3.16 A)
 &rst
  ixpk= 4238, nxpk= 20, iat=  -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,2698, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1138,1139,1140,
 &end
#
#   75 ILE  QG2         177 THR  HB          6.00    (#   4242:20  Preassigned    4.15, 5.04 A)
 &rst
  ixpk= 4242, nxpk= 20, iat=  -1,2698, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,2698, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1131,1132,1133,
 &end
#
#   75 ILE  HA          174 ALA  HA          6.00    (#   4672:20  Preassigned    5.36, 5.36 A)
 &rst
  ixpk= 4672, nxpk= 20, iat=1127,2657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=1127,2657, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#    5 GLU  HB2         135 GLU  HA          6.00    (#   4676:20  Preassigned    5.93, 5.93 A)
 &rst
  ixpk= 4676, nxpk= 20, iat=  73,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=  73,2062, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#    2 THR  QG          135 GLU  HA          6.00    (#   4679:20  Preassigned    2.37, 3.25 A)
 &rst
  ixpk= 4679, nxpk= 20, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,2062, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=  27,  28,  29,
 &end
#
#    8 MET  HG2         174 ALA  HA          6.00    (#   4693:20  Preassigned    5.37, 5.37 A)
 &rst
  ixpk= 4693, nxpk= 20, iat= 111,2657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat= 111,2657, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#    2 THR  QG          137 PRO  HD2         6.00    (#   4825:20  Preassigned    2.62, 3.26 A)
 &rst
  ixpk= 4825, nxpk= 20, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,2095, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=  27,  28,  29,
 &end
#
#    5 GLU  HG3         135 GLU  HA          6.00    (#   5027:20  Preassigned    4.73, 4.73 A)
 &rst
  ixpk= 5027, nxpk= 20, iat=  77,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
 iat=  77,2062, r1a= 1.30, r2a= 1.80, r3a= 6.00, r4a= 6.50,
ifvari= 1, nstep1= 0, nstep2= 20000,
 &end
#
#   75 ILE  QG2         174 ALA  HA          4.50    (#   5033:20  Preassigned    4.06, 4.56 A)
 &rst
  ixpk= 5033, nxpk= 20, iat=  -1,2657, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,2657, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1131,1132,1133,
 &end
#
#   82 THR  QG          166 PHE  QB          6.00    (#   6079:20  Preassigned    6.73, 7.88 A)
 &rst
  ixpk= 6079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 8.09, r4a= 8.59,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1241,1242,1243,
 igr2=2522,2523,
 &end
#
#   81 ILE  QG2         100 GLU  HG2         4.50    (#   6093:20  Preassigned    6.35, 6.69 A)
 &rst
  ixpk= 6093, nxpk= 20, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1535, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1222,1223,1224,
 &end
#
#    5 GLU  HG2         173 VAL  QG1         4.50    (#   6099:20  Preassigned    5.59, 6.75 A)
 &rst
  ixpk= 6099, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  76,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=2645,2646,2647,
 &end
#
#   78 VAL  QG1         100 GLU  HG3         6.00    (#   6100:20                 0.00, 0.00)
 &rst
  ixpk= 6100, nxpk= 20, iat=  -1,1536, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=  -1,1536, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1186,1187,1188,
 &end
#
#   82 THR  QG          103 MET  HG2         4.50    (#   6197:20  Preassigned    4.00, 4.52 A)
 &rst
  ixpk= 6197, nxpk= 20, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat=  -1,1570, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1241,1242,1243,
 &end
#
#   14 VAL  QQG          98 GLU  QB          4.50    (#   6205:20  Preassigned    2.43, 4.86 A)
 &rst
  ixpk= 6205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.81, r4a= 7.31,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1= 201, 202, 203, 205, 206, 207,
 igr2=1498,1499,
 &end
#
#   39 LYS  HA           97 THR  QG          6.00    (#   6491:20  Preassigned    4.77, 5.32 A)
 &rst
  ixpk= 6491, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat= 581,  -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1486,1487,1488,
 &end
#
#   42 PRO  HD2          97 THR  QG          4.50    (#   6496:20  Preassigned    2.62, 3.26 A)
 &rst
  ixpk= 6496, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat= 636,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1486,1487,1488,
 &end
#
#   42 PRO  HD3          97 THR  QG          4.50    (#   6497:20  Preassigned    2.53, 3.37 A)
 &rst
  ixpk= 6497, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat= 637,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1486,1487,1488,
 &end
#
#   42 PRO  HB3          97 THR  QG          4.50    (#   6510:20  Preassigned    5.41, 6.46 A)
 &rst
  ixpk= 6510, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
iat= 643,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1486,1487,1488,
 &end
#
#   10 MET  QB          102 ALA  QB          4.50    (#   6562:20  Preassigned    2.39, 3.74 A)
 &rst
  ixpk= 6562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1= 132, 133,
 igr2=1557,1558,1559,
 &end
#
#   10 MET  HG2         102 ALA  QB          4.50    (#   6565:20  Preassigned    2.38, 3.39 A)
 &rst
  ixpk= 6565, nxpk= 20, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat= 135,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1557,1558,1559,
 &end
#
#   10 MET  HG3         102 ALA  QB          4.50    (#   6567:20  Preassigned    3.90, 4.90 A)
 &rst
  ixpk= 6567, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 iat= 136,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.40, r4a= 5.90,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=1557,1558,1559,
 &end
#
#   79 ALA  HA          170 ILE  QG2         6.00    (#   6614:20  Preassigned    4.06, 4.56 A)
 &rst
  ixpk= 6614, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 iat=1198,  -1, r1a= 1.30, r2a= 1.80, r3a= 7.21, r4a= 7.71,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr2=2590,2591,2592,
 &end
#
#    7 ALA  QB          106 ILE  QD          4.50    (#   6674:20  Preassigned    3.34, 4.77 A)
 &rst
  ixpk= 6674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.49, r4a= 6.99,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=  98,  99, 100,
 igr2=1617,1618,1619,
 &end
#
#   75 ILE  QG2         174 ALA  QB          3.50    (#   6838:20  Preassigned    2.59, 4.51 A)
 &rst
  ixpk= 6838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 5.05, r4a= 5.55,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1=1131,1132,1133,
 igr2=2659,2660,2661,
 &end
#
#   11 ILE  QG1         102 ALA  QB          4.50    (#   6967:20  Preassigned    2.22, 3.12 A)
 &rst
  ixpk= 6967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 iat=  -1,  -1, r1a= 1.30, r2a= 1.80, r3a= 6.07, r4a= 6.57,
ifvari= 1, nstep1= 0, nstep2= 20000,
 igr1= 155, 156,
 igr2=1557,1558,1559,
 &end


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