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
492581 2kng 16831 cing 1-original 4 AMBER distance NOE ambi


#
#    0 AMB  20-2:3      112 THR  HB          3.50    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 704, 690,
 &end
#
#    0 AMB  20-2:4      112 THR  HB          2.60    (#      4:20  Single Ambig)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 696, 697, 698, 713, 714, 715, 717, 718, 719,
 &end
#
#   96 THR  HA           96 THR  HB          2.60    (#      5:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   96 THR  MG2          96 THR  HB          2.60    (#      6:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 456, 457, 458,
 &end
#
#    0 AMB  20-2:13     104 VAL  HA          2.60    (#     13:20  Single Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 574, 590,
 &end
#
#  104 VAL  HB          104 VAL  HA          3.50    (#     14:20  Unique         2.53, 2.93 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 578, 576, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  MB          104 VAL  HA          2.60    (#     15:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 625, 626, 627,
 &end
#
#  104 VAL  MGY         104 VAL  HA          2.60    (#     16:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  104 VAL  MGX         104 VAL  HA          2.60    (#     17:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  105 ILE  HN          105 ILE  HA          4.40    (#     18:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 18, nxpk= 20, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:19     105 ILE  HA          2.60    (#     19:20  Single Ambig)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 596, 597, 598, 603, 604, 605,
 &end
#
#  105 ILE  HG1-        105 ILE  HA          4.40    (#     20:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 600, 601,
 &end
#
#    0 AMB  20-2:22      83 ILE  HA          4.40    (#     22:20  Single Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 230, 273,
 &end
#
#   86 TRP  HB+          83 ILE  HA          4.40    (#     23:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 292, 293,
 &end
#
#   86 TRP  HB-          83 ILE  HA          3.50    (#     24:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 292, 293,
 &end
#
#    0 AMB  20-2:25      83 ILE  HA          4.40    (#     25:20  Single Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 234, 224, 225, 226,
 &end
#
#   83 ILE  HG1-         83 ILE  HA          4.40    (#     26:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 240, 241,
 &end
#
#   96 THR  HB           96 THR  HA          2.60    (#     27:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   97 ARG  HN           96 THR  HA          4.40    (#     28:20  Unique         2.89, 3.46 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 464, 452, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   84 ARG  HD+          96 THR  HA          4.40    (#     29:20  Unique         2.40, 3.73 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 259, 260,
 &end
#
#   96 THR  MG2          96 THR  HA          2.60    (#     30:20  Unique         2.42, 3.06 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 456, 457, 458,
 &end
#
#   95 SER  HN           95 SER  HB+         4.40    (#     31:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 443, 444,
 &end
#
#   95 SER  HA           95 SER  HB+         2.60    (#     33:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 443, 444,
 &end
#
#   95 SER  HN           95 SER  HB-         4.40    (#     34:20  Unique         2.39, 2.78 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 443, 444,
 &end
#
#   95 SER  HA           95 SER  HB-         2.60    (#     35:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 443, 444,
 &end
#
#  102 ALA  HN          101 PRO  HA          2.60    (#     37:20  Unique         2.21, 2.23 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 552, 548, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  101 PRO  HB+         101 PRO  HA          2.60    (#     38:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 545, 546,
 &end
#
#    0 AMB  20-2:39     101 PRO  HA          2.60    (#     39:20  Single Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 545, 546, 542, 543,
 &end
#
#  112 THR  HN          112 THR  HA          3.50    (#     41:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 690, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 THR  MG2         112 THR  HA          2.60    (#     42:20  Unique         2.44, 3.09 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 696, 697, 698,
 &end
#
#   80 SER  HN           80 SER  HB+         4.40    (#     43:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:44       0 AMB  20-1:44     4.40    (#     44:20  Double Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 532, 533, 534, 529, 530,
 igr2= 203, 204, 203, 204,
 &end
#
#   80 SER  HN           80 SER  HB-         4.40    (#     45:20  Unique         2.37, 3.06 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:46      80 SER  HB-         4.40    (#     46:20  Single Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 532, 533, 534, 529, 530,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:47      86 TRP  HA          4.40    (#     47:20  Single Ambig)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 379, 380, 379, 380,
 &end
#
#   86 TRP  HN           86 TRP  HA          2.60    (#     48:20  Unique         2.75, 2.77 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   86 TRP  HB+          86 TRP  HA          2.60    (#     49:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 292, 293,
 &end
#
#   86 TRP  HB-          86 TRP  HA          2.60    (#     50:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 292, 293,
 &end
#
#    0 AMB  20-2:51      86 TRP  HA          3.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 351, 353, 354,
 &end
#
#   76 ASP  HN           75 ILE  HA          2.60    (#     52:20  Unique         2.12, 2.24 A)
 &rst
  ixpk= 52, nxpk= 20, iat= 131, 114, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   75 ILE  HB           75 ILE  HA          4.40    (#     53:20  Unique         2.49, 2.98 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   75 ILE  MG2          75 ILE  HA          3.50    (#     54:20  Unique         2.43, 3.28 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 118, 119, 120,
 &end
#
#    0 AMB  20-2:55      80 SER  HA          4.40    (#     55:20  Single Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 230, 210,
 &end
#
#    0 AMB  20-2:56      80 SER  HA          4.40    (#     56:20  Single Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 234, 224, 225, 226,
 &end
#
#    0 AMB  20-2:57      80 SER  HA          3.50    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 532, 533, 534, 529, 530,
 &end
#
#   94 VAL  HB           94 VAL  HA          2.60    (#     58:20  Unique         2.43, 2.49 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   95 SER  HN           94 VAL  HA          2.60    (#     59:20  Unique         2.16, 2.26 A)
 &rst
  ixpk= 59, nxpk= 20, iat= 439, 425, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   94 VAL  HN           94 VAL  HA          4.40    (#     60:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 60, nxpk= 20, iat= 423, 425, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   94 VAL  MGX          94 VAL  HA          3.50    (#     61:20  Unique         2.31, 3.52 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#   84 ARG  HN           84 ARG  HA          3.50    (#     62:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ARG  HB-          84 ARG  HA          2.60    (#     63:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 253, 254,
 &end
#
#   87 ALA  MB           84 ARG  HA          2.60    (#     64:20  Unique         2.57, 3.57 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 316, 317, 318,
 &end
#
#   84 ARG  HG+          84 ARG  HA          3.50    (#     65:20  Unique         2.41, 2.85 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 256, 257,
 &end
#
#  108 TYR  HB+         108 TYR  HA          4.40    (#     66:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 635, 636,
 &end
#
#  111 ALA  MB          108 TYR  HA          3.50    (#     67:20  Unique         2.63, 3.68 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 684, 685, 686,
 &end
#
#  101 PRO  HD-         100 ILE  HA          2.60    (#     68:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 539, 540,
 &end
#
#    0 AMB  20-2:69     100 ILE  HA          2.60    (#     69:20  Single Ambig)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 429, 430, 431, 433, 434, 435, 525, 526, 527,
 &end
#
#   85 GLU  HN           85 GLU  HA          2.60    (#     70:20  Unique         2.78, 2.79 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   88 ARG  HN           85 GLU  HA          4.40    (#     71:20  Unique         3.31, 3.43 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 322, 275, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   85 GLU  HG+          85 GLU  HA          2.60    (#     72:20  Unique         2.42, 2.88 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 280, 281,
 &end
#
#    0 AMB  20-2:73       0 AMB  20-1:73     2.60    (#     73:20  Double Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 529, 530, 353, 354,
 igr2= 521, 275,
 &end
#
#   96 THR  HN           95 SER  HA          4.40    (#     75:20  Unique         2.19, 2.32 A)
 &rst
  ixpk= 75, nxpk= 20, iat= 450, 441, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   95 SER  HB+          95 SER  HA          2.60    (#     77:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 443, 444,
 &end
#
#   95 SER  HB-          95 SER  HA          2.60    (#     78:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 443, 444,
 &end
#
#    0 AMB  20-2:81     109 HIS  HA          4.40    (#     81:20  Single Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 652, 662,
 &end
#
#  109 HIS  HD2         109 HIS  HA          4.40    (#     82:20  Unique         2.27, 3.86 A)
 &rst
  ixpk= 82, nxpk= 20, iat= 666, 654, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  109 HIS  HB+         109 HIS  HA          2.60    (#     83:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 656, 657,
 &end
#
#   79 GLN  HN           79 GLN  HA          3.50    (#     84:20  Unique         2.83, 2.88 A)
 &rst
  ixpk= 84, nxpk= 20, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:85      79 GLN  HA          4.40    (#     85:20  Single Ambig)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 189, 190, 174, 175,
 &end
#
#   89 ARG  HN           89 ARG  HA          3.50    (#     86:20  Unique         2.85, 2.89 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 346, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:87      89 ARG  HA          2.60    (#     87:20  Single Ambig)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 350, 351, 329, 330,
 &end
#
#   89 ARG  HG-          89 ARG  HA          2.60    (#     88:20  Unique         2.41, 2.73 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 353, 354,
 &end
#
#  109 HIS  HB+         106 ASP  HA          2.60    (#     90:20  Unique         2.51, 3.45 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 656, 657,
 &end
#
#    0 AMB  20-2:91     106 ASP  HA          2.60    (#     91:20  Single Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 609, 631,
 &end
#
#   79 GLN  HG+          79 GLN  HA          6.00    (#     92:20  Unique         2.42, 3.24 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 189, 190,
 &end
#
#   79 GLN  HB+          79 GLN  HA          2.60    (#     93:20  Unique         2.36, 2.68 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 186, 187,
 &end
#
#   80 SER  HN           79 GLN  HA          4.40    (#     94:20  Unique         3.43, 3.55 A)
 &rst
  ixpk= 94, nxpk= 20, iat= 199, 184, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  114 GLU  HN          114 GLU  HA          3.50    (#     95:20  Unique         2.25, 2.79 A)
 &rst
  ixpk= 95, nxpk= 20, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 HIS  HN          114 GLU  HA          4.40    (#     96:20  Unique         2.07, 2.70 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 738, 725, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  114 GLU  HG-         114 GLU  HA          4.40    (#     97:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 730, 731,
 &end
#
#  114 GLU  HB+         114 GLU  HA          2.60    (#     98:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 727, 728,
 &end
#
#  103 ASP  HN          103 ASP  HA          2.60    (#     99:20  Unique         2.75, 2.77 A)
 &rst
  ixpk= 99, nxpk= 20, iat= 562, 564, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:100    103 ASP  HA          4.40    (#    100:20  Single Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 574, 590,
 &end
#
#  103 ASP  HB-         103 ASP  HA          2.60    (#    101:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 566, 567,
 &end
#
#   70 ARG  HB+          70 ARG  HA          4.40    (#    102:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  44,  45,
 &end
#
#   70 ARG  HB-          70 ARG  HA          4.40    (#    103:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  44,  45,
 &end
#
#  100 ILE  HN           99 ARG  HA          2.60    (#    104:20  Unique         2.19, 2.28 A)
 &rst
  ixpk= 104, nxpk= 20, iat= 519, 497, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   99 ARG  HB+          99 ARG  HA          2.60    (#    105:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 499, 500,
 &end
#
#  114 GLU  HN          113 LEU  HA          3.50    (#    106:20  Unique         3.42, 3.55 A)
 &rst
  ixpk= 106, nxpk= 20, iat= 723, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 LEU  HN          113 LEU  HA          3.50    (#    107:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 107, nxpk= 20, iat= 704, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:108    113 LEU  HA          2.60    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719,
 &end
#
#    0 AMB  20-2:109    102 ALA  HA          2.60    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 552, 562,
 &end
#
#  105 ILE  HB          102 ALA  HA          2.60    (#    110:20  Unique         2.20, 2.25 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 594, 554, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  102 ALA  MB          102 ALA  HA          2.60    (#    111:20  Unique         2.40, 2.63 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 556, 557, 558,
 &end
#
#   87 ALA  HN           87 ALA  HA          3.50    (#    112:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 112, nxpk= 20, iat= 312, 314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 TRP  HE3          87 ALA  HA          3.50    (#    113:20  Unique         2.83, 3.05 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:114     87 ALA  HA          3.50    (#    114:20  Single Ambig)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 405, 379, 380,
 &end
#
#   92 HIS  HB-          87 ALA  HA          6.00    (#    115:20  Unique         2.44, 3.36 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 395, 396,
 &end
#
#   87 ALA  MB           87 ALA  HA          2.60    (#    116:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 316, 317, 318,
 &end
#
#   97 ARG  HB+          97 ARG  HA          2.60    (#    118:20  Unique         2.36, 2.68 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 468, 469,
 &end
#
#   97 ARG  HB-          97 ARG  HA          3.50    (#    119:20  Unique         2.36, 2.68 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 468, 469,
 &end
#
#   97 ARG  HG+          97 ARG  HA          3.50    (#    120:20  Unique         2.47, 3.32 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#    0 AMB  20-2:121     82 ALA  HA          3.50    (#    121:20  Single Ambig)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 273, 230, 210,
 &end
#
#   82 ALA  HN           82 ALA  HA          3.50    (#    122:20  Unique         2.81, 2.85 A)
 &rst
  ixpk= 122, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 GLU  HB+          82 ALA  HA          3.50    (#    123:20  Unique         2.60, 3.35 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 277, 278,
 &end
#
#   82 ALA  MB           82 ALA  HA          2.60    (#    124:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 224, 225, 226,
 &end
#
#  107 ALA  HN          107 ALA  HA          2.60    (#    125:20  Unique         2.74, 2.74 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  20-2:127     81 ALA  HA          2.60    (#    127:20  Single Ambig)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 210, 273, 230,
 &end
#
#   84 ARG  HB+          81 ALA  HA          2.60    (#    128:20  Unique         2.30, 3.08 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 253, 254,
 &end
#
#   81 ALA  MB           81 ALA  HA          2.60    (#    129:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 214, 215, 216,
 &end
#
#    0 AMB  20-2:130    102 ALA  HA          4.40    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 590, 574,
 &end
#
#  105 ILE  MD1         102 ALA  HA          2.60    (#    131:20  Unique         2.14, 3.02 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 603, 604, 605,
 &end
#
#   92 HIS  HB+          92 HIS  HA          2.60    (#    132:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 395, 396,
 &end
#
#   92 HIS  HB-          92 HIS  HA          3.50    (#    133:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 396,
 &end
#
#    0 AMB  20-2:134    110 ALA  HA          2.60    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 670, 723,
 &end
#
#    0 AMB  20-2:135    110 ALA  HA          2.60    (#    135:20  Single Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 708, 709, 674, 675, 676,
 &end
#
#    0 AMB  20-2:136     76 ASP  HA          3.50    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 143, 167,
 &end
#
#   76 ASP  HN           76 ASP  HA          3.50    (#    137:20  Unique         2.28, 2.94 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:140     76 ASP  HA          4.40    (#    140:20  Single Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 114, 145, 169,
 &end
#
#   76 ASP  HB-          76 ASP  HA          2.60    (#    141:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 135, 136,
 &end
#
#   94 VAL  HN           93 ASN  HA          2.60    (#    142:20  Unique         2.13, 2.18 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 423, 411, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   93 ASN  HB+          93 ASN  HA          2.60    (#    143:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 413, 414,
 &end
#
#   93 ASN  HB-          93 ASN  HA          2.60    (#    144:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 413, 414,
 &end
#
#   90 ASN  HB+          90 ASN  HA          2.60    (#    145:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 374, 375,
 &end
#
#  111 ALA  HN          111 ALA  HA          2.60    (#    146:20  Unique         2.74, 2.78 A)
 &rst
  ixpk= 146, nxpk= 20, iat= 680, 682, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  112 THR  HN          111 ALA  HA          4.40    (#    147:20  Unique         3.53, 3.59 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 690, 682, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  111 ALA  MB          111 ALA  HA          2.60    (#    148:20  Unique         2.44, 2.65 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 684, 685, 686,
 &end
#
#   90 ASN  HN           90 ASN  HA          4.40    (#    149:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 149, nxpk= 20, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   90 ASN  HB-          90 ASN  HA          4.40    (#    150:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 374, 375,
 &end
#
#   74 ALA  MB           74 ALA  HA          2.60    (#    151:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 106, 107, 108,
 &end
#
#    0 AMB  20-2:152     74 ALA  HA          2.60    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 112, 102,
 &end
#
#    0 AMB  20-2:153      0 AMB  20-1:153    3.50    (#    153:20  Double Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 525, 526, 527, 580, 581, 582, 584, 585, 586,
 igr2= 539, 540, 539, 540,
 &end
#
#  101 PRO  HG+         101 PRO  HD+         4.40    (#    155:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 542, 543,
 igr2= 539, 540,
 &end
#
#    0 AMB  20-2:156      0 AMB  20-1:156    2.60    (#    156:20  Double Ambig)
 &rst
  ixpk= 156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 542, 543, 578, 545, 546,
 igr2= 539, 540, 539, 540, 539, 540,
 &end
#
#  101 PRO  HG+         101 PRO  HD-         4.40    (#    158:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 542, 543,
 igr2= 539, 540,
 &end
#
#    0 AMB  20-2:159    101 PRO  HD-         2.60    (#    159:20  Single Ambig)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 542, 543, 578, 545, 546,
 igr2= 539, 540,
 &end
#
#    0 AMB  20-2:160    101 PRO  HD-         2.60    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 525, 526, 527, 580, 581, 582, 584, 585, 586,
 igr2= 539, 540,
 &end
#
#   91 GLY  HN           91 GLY  HA+         2.60    (#    161:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 161, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 386, 387,
 &end
#
#   91 GLY  HN           91 GLY  HA-         2.60    (#    163:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 163, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 386, 387,
 &end
#
#   71 GLY  HN            0 AMB  20-1:166    3.50    (#    166:20  Single Ambig)
 &rst
  ixpk= 166, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  66,  67,  35,  36,
 &end
#
#   74 ALA  HN           73 GLY  HA+         3.50    (#    168:20  Unique         2.19, 2.88 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  97,  98,
 &end
#
#   99 ARG  HN           98 GLY  HA+         2.60    (#    169:20  Unique         2.21, 2.59 A)
 &rst
  ixpk= 169, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 490, 491,
 &end
#
#   98 GLY  HN           98 GLY  HA+         3.50    (#    170:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 490, 491,
 &end
#
#   84 ARG  HG+          84 ARG  HD+         4.40    (#    171:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 256, 257,
 igr2= 259, 260,
 &end
#
#   84 ARG  HB-          84 ARG  HD+         2.60    (#    172:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 253, 254,
 igr2= 259, 260,
 &end
#
#    0 AMB  20-2:173      0 AMB  20-1:173    2.60    (#    173:20  Double Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 329, 330, 150, 151, 353, 354, 499, 500,
 igr2= 332, 333, 153, 154, 356, 357, 505, 506,
 &end
#
#    0 AMB  20-2:174      0 AMB  20-1:174    2.60    (#    174:20  Double Ambig)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 353, 354,  75,  76, 499, 500,  44,  45,
 igr2= 356, 357,  81,  82, 505, 506,  50,  51,
 &end
#
#    0 AMB  20-2:175      0 AMB  20-1:175    2.60    (#    175:20  Double Ambig)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 502, 503, 353, 354,
 igr2= 505, 506, 356, 357,
 &end
#
#  113 LEU  HN          113 LEU  HB+         3.50    (#    176:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 176, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 708, 709,
 &end
#
#  113 LEU  HA          113 LEU  HB+         3.50    (#    177:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 177, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 708, 709,
 &end
#
#    0 AMB  20-2:179      0 AMB  20-1:179    3.50    (#    179:20  Double Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719,
 igr2= 708, 709, 708, 709,
 &end
#
#  113 LEU  HA          113 LEU  HB-         4.40    (#    180:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 180, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 708, 709,
 &end
#
#    0 AMB  20-2:182    113 LEU  HB-         2.60    (#    182:20  Single Ambig)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719,
 igr2= 708, 709,
 &end
#
#  113 LEU  HN          113 LEU  HB-         4.40    (#    183:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 708, 709,
 &end
#
#   76 ASP  HA           76 ASP  HB+         2.60    (#    184:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 135, 136,
 &end
#
#   76 ASP  HN           76 ASP  HB-         3.50    (#    185:20  Unique         2.44, 2.83 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 135, 136,
 &end
#
#   76 ASP  HA           76 ASP  HB-         2.60    (#    186:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 135, 136,
 &end
#
#   77 ARG  HN           76 ASP  HB-         4.40    (#    187:20  Unique         2.12, 3.57 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 135, 136,
 &end
#
#  106 ASP  HN          106 ASP  HB+         2.60    (#    188:20  Unique         2.41, 2.50 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 613, 614,
 &end
#
#  107 ALA  HN          106 ASP  HB+         2.60    (#    189:20  Unique         2.53, 3.24 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 613, 614,
 &end
#
#    0 AMB  20-2:190      0 AMB  20-1:190    2.60    (#    190:20  Double Ambig)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 611, 564,
 igr2= 613, 614, 613, 614,
 &end
#
#  103 ASP  HA          103 ASP  HB+         2.60    (#    191:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 566, 567,
 &end
#
#  103 ASP  HN          103 ASP  HB+         3.50    (#    193:20  Unique         2.39, 2.62 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#  103 ASP  HN          103 ASP  HB-         3.50    (#    194:20  Unique         2.39, 2.62 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:195      0 AMB  20-1:195    4.40    (#    195:20  Double Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 370, 301,
 igr2= 374, 375, 374, 375,
 &end
#
#    0 AMB  20-2:196      0 AMB  20-1:196    2.60    (#    196:20  Double Ambig)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 379, 380, 379, 380,
 igr2= 374, 375, 374, 375,
 &end
#
#   90 ASN  HA           90 ASN  HB+         2.60    (#    197:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 197, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 374, 375,
 &end
#
#    0 AMB  20-2:199    100 ILE  HB          4.40    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 521, 539, 540, 497,
 &end
#
#  100 ILE  HN          100 ILE  HB          2.60    (#    200:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 200, nxpk= 20, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  100 ILE  MG2         100 ILE  HB          2.60    (#    201:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 525, 526, 527,
 &end
#
#    0 AMB  20-2:202    100 ILE  HB          2.60    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 603, 604, 605, 529, 530, 532, 533, 534,
 &end
#
#    0 AMB  20-2:203     90 ASN  HB-         2.60    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 370, 301,
 igr2= 374, 375,
 &end
#
#    0 AMB  20-2:204     90 ASN  HB-         2.60    (#    204:20  Single Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 379, 380, 379, 380,
 igr2= 374, 375,
 &end
#
#   75 ILE  HA           75 ILE  HB          3.50    (#    206:20  Unique         2.49, 2.98 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ILE  HG1+         75 ILE  HB          4.40    (#    207:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 122, 123,
 &end
#
#   75 ILE  HG1-         75 ILE  HB          4.40    (#    208:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 122, 123,
 &end
#
#   75 ILE  MG2          75 ILE  HB          2.60    (#    209:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 118, 119, 120,
 &end
#
#   93 ASN  HA           93 ASN  HB+         3.50    (#    210:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 413, 414,
 &end
#
#   93 ASN  HA           93 ASN  HB-         3.50    (#    212:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 413, 414,
 &end
#
#  108 TYR  HN          108 TYR  HB+         2.60    (#    214:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#  108 TYR  HD          108 TYR  HB+         3.50    (#    215:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 639, 648,
 igr2= 635, 636,
 &end
#
#  108 TYR  HN          108 TYR  HB-         2.60    (#    217:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#  108 TYR  HD          108 TYR  HB-         3.50    (#    218:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 639, 648,
 igr2= 635, 636,
 &end
#
#  106 ASP  HN          105 ILE  HB          2.60    (#    220:20  Unique         2.61, 2.63 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 609, 594, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  105 ILE  HN          105 ILE  HB          2.60    (#    221:20  Unique         2.30, 2.33 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  102 ALA  HA          105 ILE  HB          2.60    (#    222:20  Unique         2.20, 2.25 A)
 &rst
  ixpk= 222, nxpk= 20, iat= 554, 594, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  105 ILE  HG1-        105 ILE  HB          3.50    (#    223:20  Unique         2.71, 2.88 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
#    0 AMB  20-2:224    105 ILE  HB          2.60    (#    224:20  Single Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 596, 597, 598, 603, 604, 605,
 &end
#
#  100 ILE  MD1          83 ILE  HB          3.50    (#    225:20  Unique         2.41, 3.13 A)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 532, 533, 534,
 &end
#
#   84 ARG  HN           83 ILE  HB          4.40    (#    226:20  Unique         2.61, 2.78 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 249, 234, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   83 ILE  HN           83 ILE  HB          3.50    (#    227:20  Unique         2.38, 2.44 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 ILE  MG2          83 ILE  HB          2.60    (#    228:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 236, 237, 238,
 &end
#
#   83 ILE  HG1-         83 ILE  HB          3.50    (#    229:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#    0 AMB  20-2:230      0 AMB  20-1:230    4.40    (#    230:20  Double Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 167, 143,
 igr2= 174, 175, 174, 175,
 &end
#
#   78 GLU  HA           78 GLU  HG+         2.60    (#    231:20  Unique         2.40, 2.85 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 174, 175,
 &end
#
#   78 GLU  HB+          78 GLU  HG+         2.60    (#    232:20  Unique         2.25, 2.74 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 171, 172,
 igr2= 174, 175,
 &end
#
#  114 GLU  HB+         114 GLU  HG+         2.60    (#    233:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 727, 728,
 igr2= 730, 731,
 &end
#
#  114 GLU  HB+         114 GLU  HG-         2.60    (#    234:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 727, 728,
 igr2= 730, 731,
 &end
#
#   85 GLU  HN           85 GLU  HG+         4.40    (#    235:20  Unique         2.29, 4.23 A)
 &rst
  ixpk= 235, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 280, 281,
 &end
#
#    0 AMB  20-2:236      0 AMB  20-1:236    2.60    (#    236:20  Double Ambig)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 275, 222,
 igr2= 280, 281, 280, 281,
 &end
#
#   85 GLU  HB+          85 GLU  HG+         2.60    (#    237:20  Unique         2.35, 2.71 A)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 277, 278,
 igr2= 280, 281,
 &end
#
#   79 GLN  HA           79 GLN  HG+         6.00    (#    239:20  Unique         2.42, 3.24 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 189, 190,
 &end
#
#    0 AMB  20-2:241      0 AMB  20-1:241    2.60    (#    241:20  Double Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 186, 187, 171, 172,
 igr2= 189, 190, 189, 190,
 &end
#
#    0 AMB  20-2:242     79 GLN  HG-         2.60    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 186, 187, 171, 172,
 igr2= 189, 190,
 &end
#
#   79 GLN  HA           79 GLN  HG-         6.00    (#    243:20  Unique         2.42, 3.24 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 189, 190,
 &end
#
#   94 VAL  HN           94 VAL  HB          4.40    (#    245:20  Unique         3.34, 3.45 A)
 &rst
  ixpk= 245, nxpk= 20, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   94 VAL  HA           94 VAL  HB          3.50    (#    246:20  Unique         2.43, 2.49 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 425, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:247     94 VAL  HB          2.60    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 429, 430, 431, 433, 434, 435, 525, 526, 527,
 &end
#
#  101 PRO  HA          101 PRO  HB+         2.60    (#    249:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 545, 546,
 &end
#
#  101 PRO  HG+         101 PRO  HB+         2.60    (#    250:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 542, 543,
 igr2= 545, 546,
 &end
#
#   97 ARG  HA           97 ARG  HB+         3.50    (#    254:20  Unique         2.36, 2.68 A)
 &rst
  ixpk= 254, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 468, 469,
 &end
#
#   92 HIS  HA           92 HIS  HB+         4.40    (#    257:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 395, 396,
 &end
#
#   87 ALA  MB           92 HIS  HB-         4.40    (#    260:20  Unique         2.37, 4.06 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 316, 317, 318,
 igr2= 395, 396,
 &end
#
#    0 AMB  20-2:261    104 VAL  HB          2.60    (#    261:20  Single Ambig)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 574, 590,
 &end
#
#  101 PRO  HD-         104 VAL  HB          4.40    (#    262:20  Unique         2.69, 4.13 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 539, 540,
 &end
#
#    0 AMB  20-2:263    104 VAL  HB          2.60    (#    263:20  Single Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 580, 581, 582, 584, 585, 586, 525, 526, 527,
 &end
#
#  104 VAL  MGX         104 VAL  HB          2.60    (#    264:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#   89 ARG  HN           89 ARG  HB+         2.60    (#    265:20  Unique         2.16, 2.96 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 350, 351,
 &end
#
#   89 ARG  HA           89 ARG  HB+         2.60    (#    266:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 350, 351,
 &end
#
#   99 ARG  HA           99 ARG  HB+         2.60    (#    267:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 499, 500,
 &end
#
#   99 ARG  HD+          99 ARG  HB+         2.60    (#    268:20  Unique         2.43, 3.00 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 505, 506,
 igr2= 499, 500,
 &end
#
#   99 ARG  HN           99 ARG  HB+         3.50    (#    269:20  Unique         2.30, 2.91 A)
 &rst
  ixpk= 269, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   88 ARG  HN           88 ARG  HB+         2.60    (#    270:20  Unique         2.25, 2.55 A)
 &rst
  ixpk= 270, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 326, 327,
 &end
#
#   89 ARG  HN           88 ARG  HB+         3.50    (#    271:20  Unique         2.50, 3.20 A)
 &rst
  ixpk= 271, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 326, 327,
 &end
#
#   88 ARG  HA           88 ARG  HB+         2.60    (#    272:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 326, 327,
 &end
#
#   88 ARG  HD+          88 ARG  HB+         2.60    (#    273:20  Unique         2.35, 3.06 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 332, 333,
 igr2= 326, 327,
 &end
#
#    0 AMB  20-2:274      0 AMB  20-1:274    2.60    (#    274:20  Double Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 329, 330, 353, 354,
 igr2= 326, 327, 326, 327,
 &end
#
#  114 GLU  HN          114 GLU  HB+         2.60    (#    275:20  Unique         2.19, 2.98 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:276      0 AMB  20-1:276    2.60    (#    276:20  Double Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 145, 725,
 igr2= 147, 148, 727, 728,
 &end
#
#    0 AMB  20-2:277      0 AMB  20-1:277    2.60    (#    277:20  Double Ambig)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 730, 731, 277, 278,
 igr2= 727, 728, 253, 254,
 &end
#
#    0 AMB  20-2:278      0 AMB  20-1:278    2.60    (#    278:20  Double Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 143, 167, 756,
 igr2= 147, 148, 147, 148, 727, 728,
 &end
#
#   77 ARG  HD+          77 ARG  HB+         2.60    (#    279:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 153, 154,
 igr2= 147, 148,
 &end
#
#  115 HIS  HA          115 HIS  HB+         2.60    (#    281:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 281, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 742, 743,
 &end
#
#  115 HIS  HA          115 HIS  HB-         2.60    (#    282:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 742, 743,
 &end
#
#   84 ARG  HN           84 ARG  HB+         2.60    (#    284:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 253, 254,
 &end
#
#   84 ARG  HG+          84 ARG  HB+         2.60    (#    285:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#   84 ARG  HB-          84 ARG  HG+         2.60    (#    286:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#    0 AMB  20-2:288      0 AMB  20-1:288    2.60    (#    288:20  Double Ambig)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 273, 210,
 igr2= 277, 278, 171, 172,
 &end
#
#   78 GLU  HN           78 GLU  HB+         2.60    (#    289:20  Unique         2.24, 2.73 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 171, 172,
 &end
#
#    0 AMB  20-2:290      0 AMB  20-1:290    2.60    (#    290:20  Double Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 275, 169, 222,
 igr2= 277, 278, 171, 172, 277, 278,
 &end
#
#    0 AMB  20-2:291      0 AMB  20-1:291    2.60    (#    291:20  Double Ambig)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 174, 175, 189, 190,
 igr2= 171, 172, 171, 172,
 &end
#
#   86 TRP  HN           86 TRP  HB+         2.60    (#    292:20  Unique         2.37, 2.47 A)
 &rst
  ixpk= 292, nxpk= 20, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 292, 293,
 &end
#
#   86 TRP  HD1          86 TRP  HB-         6.00    (#    294:20  Unique         2.62, 3.23 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 292, 293,
 &end
#
#   86 TRP  HN           86 TRP  HB-         2.60    (#    295:20  Unique         2.37, 2.47 A)
 &rst
  ixpk= 295, nxpk= 20, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 292, 293,
 &end
#
#   86 TRP  HA           86 TRP  HB-         2.60    (#    296:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 296, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 292, 293,
 &end
#
#   83 ILE  HA           86 TRP  HB-         3.50    (#    298:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 298, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#  109 HIS  HN          109 HIS  HB+         2.60    (#    299:20  Unique         2.27, 3.02 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 656, 657,
 &end
#
#  110 ALA  HN          109 HIS  HB+         4.40    (#    300:20  Unique         2.72, 3.31 A)
 &rst
  ixpk= 300, nxpk= 20, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 656, 657,
 &end
#
#  106 ASP  HA          109 HIS  HB+         3.50    (#    301:20  Unique         2.51, 3.45 A)
 &rst
  ixpk= 301, nxpk= 20, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 656, 657,
 &end
#
#  109 HIS  HA          109 HIS  HB+         2.60    (#    302:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 302, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 656, 657,
 &end
#
#  105 ILE  HN          105 ILE  HG1-        3.50    (#    303:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 303, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 600, 601,
 &end
#
#  105 ILE  HB          105 ILE  HG1-        4.40    (#    304:20  Unique         2.71, 2.88 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 600, 601,
 &end
#
#  101 PRO  HD+         101 PRO  HG+         3.50    (#    307:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 539, 540,
 igr2= 542, 543,
 &end
#
#  101 PRO  HD-         101 PRO  HG+         3.50    (#    308:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 539, 540,
 igr2= 542, 543,
 &end
#
#  101 PRO  HB+         101 PRO  HG+         2.60    (#    309:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 545, 546,
 igr2= 542, 543,
 &end
#
#  104 VAL  MGY         101 PRO  HG+         4.40    (#    310:20  Unique         2.18, 5.27 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 542, 543,
 &end
#
#  100 ILE  HN          100 ILE  HG1-        3.50    (#    312:20  Unique         2.24, 3.07 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:317      0 AMB  20-1:317    2.60    (#    317:20  Double Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 348, 275,
 igr2= 353, 354, 353, 354, 329, 330, 329, 330,
 &end
#
#    0 AMB  20-2:319     89 ARG  HG-         2.60    (#    319:20  Single Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 348, 275,
 igr2= 353, 354,
 &end
#
#    0 AMB  20-2:320      0 AMB  20-1:320    2.60    (#    320:20  Double Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 147, 148,  44,  45,
 igr2= 150, 151,  47,  48,
 &end
#
#   75 ILE  HB           75 ILE  HG1-        3.50    (#    322:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 122, 123,
 &end
#
#   75 ILE  MD1          75 ILE  HG1-        3.50    (#    324:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 125, 126, 127,
 igr2= 122, 123,
 &end
#
#   75 ILE  MD1          75 ILE  HG1+        2.60    (#    325:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 125, 126, 127,
 igr2= 122, 123,
 &end
#
#   83 ILE  HN           83 ILE  HG1-        3.50    (#    327:20  Unique         2.20, 2.97 A)
 &rst
  ixpk= 327, nxpk= 20, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#    0 AMB  20-2:330    104 VAL  MGY         2.60    (#    330:20  Single Ambig)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 574, 590,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HD+         104 VAL  MGY         4.40    (#    331:20  Unique         2.43, 4.97 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 539, 540,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  104 VAL  HA          104 VAL  MGY         2.60    (#    332:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HD-         104 VAL  MGY         2.60    (#    333:20  Unique         2.43, 4.97 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 539, 540,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   92 HIS  HB+         104 VAL  MGY         3.50    (#    334:20  Unique         2.56, 5.02 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 395, 396,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:335    104 VAL  MGY         2.60    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 542, 543, 545, 546, 578,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   96 THR  HB           96 THR  MG2         2.60    (#    336:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 456, 457, 458,
 &end
#
#   96 THR  HA           96 THR  MG2         2.60    (#    337:20  Unique         2.42, 3.06 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 456, 457, 458,
 &end
#
#   94 VAL  HA           94 VAL  MGY         3.50    (#    338:20  Unique         2.31, 3.52 A)
 &rst
  ixpk= 338, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:339     94 VAL  MGY         3.50    (#    339:20  Single Ambig)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 539, 540, 521,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#  101 PRO  HD-          94 VAL  MGY         6.00    (#    340:20  Unique         2.32, 5.50 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 539, 540,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:341     94 VAL  MGY         2.60    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 427, 542, 543, 578,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   87 ALA  MB           94 VAL  MGY         3.50    (#    342:20  Unique         2.26, 4.22 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 316, 317, 318,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   86 TRP  HE3         104 VAL  MGX         3.50    (#    343:20  Unique         3.07, 5.31 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   86 TRP  HZ3         104 VAL  MGX         2.60    (#    344:20  Unique         2.36, 4.37 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  104 VAL  HA          104 VAL  MGX         2.60    (#    345:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HD-         104 VAL  MGX         6.00    (#    346:20  Unique         2.43, 4.97 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 539, 540,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:347    104 VAL  MGX         2.60    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 542, 543, 545, 546, 578, 427,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   87 ALA  MB          104 VAL  MGX         2.60    (#    348:20  Unique         2.38, 4.54 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 316, 317, 318,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   94 VAL  HN           94 VAL  MGX         3.50    (#    349:20  Unique         2.62, 4.19 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   94 VAL  HA           94 VAL  MGX         4.40    (#    350:20  Unique         2.31, 3.52 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:351     94 VAL  MGX         4.40    (#    351:20  Single Ambig)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 539, 540, 521,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   84 ARG  HA           94 VAL  MGX         6.00    (#    352:20  Unique         2.26, 3.60 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#  101 PRO  HD-          94 VAL  MGX         6.00    (#    353:20  Unique         2.32, 5.50 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 539, 540,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:354     94 VAL  MGX         2.60    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 427, 542, 543, 578,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   84 ARG  HB-          94 VAL  MGX         4.40    (#    355:20  Unique         2.77, 5.22 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 253, 254,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   87 ALA  MB           94 VAL  MGX         2.60    (#    356:20  Unique         2.26, 4.22 A)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 316, 317, 318,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   84 ARG  HG+          94 VAL  MGX         4.40    (#    357:20  Unique         2.38, 4.07 A)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 256, 257,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#  112 THR  HN          112 THR  MG2         3.50    (#    358:20  Unique         2.25, 3.33 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 696, 697, 698,
 &end
#
#  108 TYR  HE          112 THR  MG2         6.00    (#    359:20  Unique         3.17, 4.51 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 646,
 igr2= 696, 697, 698,
 &end
#
#    0 AMB  20-2:360    112 THR  MG2         2.60    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 694, 654,
 igr2= 696, 697, 698,
 &end
#
#  111 ALA  MB          112 THR  MG2         4.40    (#    361:20  Unique         3.06, 5.17 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 684, 685, 686,
 igr2= 696, 697, 698,
 &end
#
#   86 TRP  HE1         111 ALA  MB          3.50    (#    364:20  Unique         2.33, 3.24 A)
 &rst
  ixpk= 364, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 684, 685, 686,
 &end
#
#  111 ALA  HN          111 ALA  MB          2.60    (#    365:20  Unique         2.31, 2.81 A)
 &rst
  ixpk= 365, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 684, 685, 686,
 &end
#
#  112 THR  HN          111 ALA  MB          2.60    (#    366:20  Unique         2.70, 3.51 A)
 &rst
  ixpk= 366, nxpk= 20, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 684, 685, 686,
 &end
#
#   86 TRP  HZ2         111 ALA  MB          2.60    (#    367:20  Unique         2.26, 2.96 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 684, 685, 686,
 &end
#
#  111 ALA  HA          111 ALA  MB          2.60    (#    368:20  Unique         2.44, 2.65 A)
 &rst
  ixpk= 368, nxpk= 20, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 684, 685, 686,
 &end
#
#  108 TYR  HA          111 ALA  MB          4.40    (#    369:20  Unique         2.63, 3.68 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 684, 685, 686,
 &end
#
#    0 AMB  20-2:370     74 ALA  MB          3.50    (#    370:20  Single Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 102, 112,
 igr2= 106, 107, 108,
 &end
#
#   74 ALA  HA           74 ALA  MB          2.60    (#    371:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  20-2:372     74 ALA  MB          4.40    (#    372:20  Single Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  75,  76, 116,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  20-2:373    102 ALA  MB          2.60    (#    373:20  Single Ambig)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 552, 562,
 igr2= 556, 557, 558,
 &end
#
#    0 AMB  20-2:374    102 ALA  MB          3.50    (#    374:20  Single Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 548, 564, 611,
 igr2= 556, 557, 558,
 &end
#
#  102 ALA  HA          102 ALA  MB          2.60    (#    375:20  Unique         2.40, 2.63 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 556, 557, 558,
 &end
#
#   87 ALA  HN           87 ALA  MB          2.60    (#    377:20  Unique         2.40, 2.84 A)
 &rst
  ixpk= 377, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 316, 317, 318,
 &end
#
#    0 AMB  20-2:378     87 ALA  MB          6.00    (#    378:20  Single Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 391, 273,
 igr2= 316, 317, 318,
 &end
#
#   88 ARG  HN           87 ALA  MB          2.60    (#    379:20  Unique         2.56, 3.43 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 316, 317, 318,
 &end
#
#   86 TRP  HE3          87 ALA  MB          3.50    (#    380:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 380, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 316, 317, 318,
 &end
#
#   86 TRP  HZ3          87 ALA  MB          4.40    (#    381:20  Unique         3.12, 4.39 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 316, 317, 318,
 &end
#
#   84 ARG  HA           87 ALA  MB          2.60    (#    382:20  Unique         2.57, 3.57 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 316, 317, 318,
 &end
#
#   87 ALA  HA           87 ALA  MB          2.60    (#    383:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 316, 317, 318,
 &end
#
#   92 HIS  HB+          87 ALA  MB          4.40    (#    384:20  Unique         2.37, 4.06 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 395, 396,
 igr2= 316, 317, 318,
 &end
#
#   92 HIS  HB-          87 ALA  MB          3.50    (#    385:20  Unique         2.37, 4.06 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 395, 396,
 igr2= 316, 317, 318,
 &end
#
#   94 VAL  HB           87 ALA  MB          3.50    (#    386:20  Unique         2.41, 3.26 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 316, 317, 318,
 &end
#
#   94 VAL  MGX          87 ALA  MB          2.60    (#    387:20  Unique         2.26, 4.22 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 429, 430, 431, 433, 434, 435,
 igr2= 316, 317, 318,
 &end
#
#  104 VAL  MGX          87 ALA  MB          2.60    (#    388:20  Unique         2.38, 4.54 A)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 316, 317, 318,
 &end
#
#    0 AMB  20-2:389      0 AMB  20-1:389    4.40    (#    389:20  Double Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 171, 172, 186, 187, 277, 278,
 igr2= 214, 215, 216, 224, 225, 226,
 &end
#
#    0 AMB  20-2:390      0 AMB  20-1:390    2.60    (#    390:20  Double Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 210, 230,
 igr2= 214, 215, 216, 224, 225, 226,
 &end
#
#   82 ALA  HN            0 AMB  20-1:391    2.60    (#    391:20  Single Ambig)
 &rst
  ixpk= 391, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 224, 225, 226, 214, 215, 216,
 &end
#
#    0 AMB  20-2:392      0 AMB  20-1:392    2.60    (#    392:20  Double Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 169, 222,
 igr2= 214, 215, 216, 224, 225, 226,
 &end
#
#  110 ALA  HN          110 ALA  MB          2.60    (#    393:20  Unique         2.42, 2.87 A)
 &rst
  ixpk= 393, nxpk= 20, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 674, 675, 676,
 &end
#
#  111 ALA  HN          110 ALA  MB          2.60    (#    394:20  Unique         2.49, 3.45 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 674, 675, 676,
 &end
#
#  110 ALA  HA          110 ALA  MB          2.60    (#    395:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 395, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 674, 675, 676,
 &end
#
#  108 TYR  HN          107 ALA  MB          3.50    (#    397:20  Unique         2.51, 3.39 A)
 &rst
  ixpk= 397, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 625, 626, 627,
 &end
#
#  107 ALA  HN          107 ALA  MB          2.60    (#    398:20  Unique         2.35, 2.83 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  20-2:399    107 ALA  MB          4.40    (#    399:20  Single Ambig)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 301, 574,
 igr2= 625, 626, 627,
 &end
#
#   86 TRP  HH2         107 ALA  MB          3.50    (#    400:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 625, 626, 627,
 &end
#
#   86 TRP  HZ3         107 ALA  MB          4.40    (#    401:20  Unique         2.58, 3.46 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 625, 626, 627,
 &end
#
#  107 ALA  HA          107 ALA  MB          2.60    (#    402:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 625, 626, 627,
 &end
#
#  104 VAL  HA          107 ALA  MB          2.60    (#    403:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  20-2:404    100 ILE  MG2         4.40    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 590, 574,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:405    100 ILE  MG2         2.60    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 539, 540, 521,
 igr2= 525, 526, 527,
 &end
#
#  101 PRO  HD-         100 ILE  MG2         2.60    (#    406:20  Unique         2.13, 3.55 A)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 539, 540,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:407    100 ILE  MG2         2.60    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 578, 542, 543, 427,
 igr2= 525, 526, 527,
 &end
#
#  100 ILE  HB          100 ILE  MG2         2.60    (#    408:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 525, 526, 527,
 &end
#
#  105 ILE  HG1-        100 ILE  MG2         2.60    (#    409:20  Unique         2.43, 3.70 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 600, 601,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:410     75 ILE  MG2         2.60    (#    410:20  Single Ambig)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 114, 145,
 igr2= 118, 119, 120,
 &end
#
#   75 ILE  HB           75 ILE  MG2         2.60    (#    411:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  20-2:412     75 ILE  MG2         4.40    (#    412:20  Single Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 131, 199,
 igr2= 118, 119, 120,
 &end
#
#  106 ASP  HN          105 ILE  MG2         3.50    (#    413:20  Unique         3.25, 4.10 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 596, 597, 598,
 &end
#
#  109 HIS  HD2         105 ILE  MG2         4.40    (#    414:20  Unique         2.40, 3.70 A)
 &rst
  ixpk= 414, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 596, 597, 598,
 &end
#
#  106 ASP  HA          105 ILE  MG2         4.40    (#    415:20  Unique         3.61, 4.67 A)
 &rst
  ixpk= 415, nxpk= 20, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 596, 597, 598,
 &end
#
#  105 ILE  HA          105 ILE  MG2         2.60    (#    416:20  Unique         2.63, 3.29 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 596, 597, 598,
 &end
#
#  105 ILE  HB          105 ILE  MG2         2.60    (#    417:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 596, 597, 598,
 &end
#
#   84 ARG  HN           83 ILE  MG2         6.00    (#    418:20  Unique         3.50, 4.36 A)
 &rst
  ixpk= 418, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 236, 237, 238,
 &end
#
#    0 AMB  20-2:419     83 ILE  MG2         6.00    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 230, 273,
 igr2= 236, 237, 238,
 &end
#
#  105 ILE  HA           83 ILE  MG2         4.40    (#    420:20  Unique         2.49, 3.48 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 236, 237, 238,
 &end
#
#   83 ILE  HA           83 ILE  MG2         2.60    (#    421:20  Unique         2.54, 3.22 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HB-          83 ILE  MG2         4.40    (#    422:20  Unique         2.34, 3.79 A)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 635, 636,
 igr2= 236, 237, 238,
 &end
#
#    0 AMB  20-2:423     83 ILE  MG2         2.60    (#    423:20  Single Ambig)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 234, 600, 601,
 igr2= 236, 237, 238,
 &end
#
#  100 ILE  HG1-        100 ILE  MD1         2.60    (#    426:20  Unique         2.34, 2.64 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 529, 530,
 igr2= 532, 533, 534,
 &end
#
#    0 AMB  20-2:427    100 ILE  MD1         3.50    (#    427:20  Single Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 539, 540,
 igr2= 532, 533, 534,
 &end
#
#    0 AMB  20-2:428    100 ILE  MD1         2.60    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 203, 204, 201,
 igr2= 532, 533, 534,
 &end
#
#   84 ARG  HA          100 ILE  MD1         6.00    (#    429:20  Unique         2.99, 4.20 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 532, 533, 534,
 &end
#
#   83 ILE  HG1-         83 ILE  MD1         2.60    (#    430:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 240, 241,
 igr2= 243, 244, 245,
 &end
#
#   80 SER  HA           83 ILE  MD1         4.40    (#    431:20  Unique         2.33, 4.13 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  20-2:432     83 ILE  MD1         2.60    (#    432:20  Single Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 600, 601, 234,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  20-2:433     83 ILE  MD1         2.60    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 596, 597, 598, 532, 533, 534,
 igr2= 243, 244, 245,
 &end
#
#  105 ILE  HB          105 ILE  HA          4.40    (#    436:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 436, nxpk= 20, iat= 594, 592, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  108 TYR  HB-         105 ILE  HA          6.00    (#    437:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 635, 636,
 &end
#
#  108 TYR  HB+         105 ILE  HA          3.50    (#    438:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 636,
 &end
#
#  107 ALA  HN          104 VAL  HA          4.40    (#    439:20  Unique         3.02, 3.10 A)
 &rst
  ixpk= 439, nxpk= 20, iat= 621, 576, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:440    105 ILE  HA          4.40    (#    440:20  Single Ambig)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 631, 609,
 &end
#
#    0 AMB  20-2:441    104 VAL  HA          6.00    (#    441:20  Single Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 631, 609,
 &end
#
#   86 TRP  HZ3         104 VAL  HA          6.00    (#    442:20  Unique         3.59, 3.69 A)
 &rst
  ixpk= 442, nxpk= 20, iat= 305, 576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 TYR  HD           83 ILE  HA          4.40    (#    443:20  Unique         2.65, 4.29 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 639, 648,
 &end
#
#  108 TYR  HE           83 ILE  HA          4.40    (#    444:20  Unique         2.98, 4.82 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 641, 646,
 &end
#
#    0 AMB  20-2:445     83 ILE  HA          4.40    (#    445:20  Single Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 288, 249,
 &end
#
#   84 ARG  HD-          96 THR  HA          4.40    (#    446:20  Unique         2.40, 3.73 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 259, 260,
 &end
#
#  102 ALA  MB          101 PRO  HA          6.00    (#    449:20  Unique         4.36, 4.99 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 556, 557, 558,
 &end
#
#    0 AMB  20-2:450    112 THR  HA          6.00    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 684, 685, 686, 708, 709,
 &end
#
#    0 AMB  20-2:451     80 SER  HB-         6.00    (#    451:20  Single Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 214, 215, 216, 234,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:452      0 AMB  20-1:452    4.40    (#    452:20  Double Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 214, 215, 216, 234,
 igr2= 203, 204, 203, 204,
 &end
#
#   81 ALA  HN           80 SER  HB-         4.40    (#    453:20  Unique         2.45, 3.39 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 203, 204,
 &end
#
#   81 ALA  HN           80 SER  HB+         4.40    (#    454:20  Unique         2.45, 3.39 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 203, 204,
 &end
#
#   89 ARG  HD+          86 TRP  HA          4.40    (#    455:20  Unique         2.65, 3.92 A)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 356, 357,
 &end
#
#   89 ARG  HN           86 TRP  HA          6.00    (#    456:20  Unique         3.51, 3.61 A)
 &rst
  ixpk= 456, nxpk= 20, iat= 346, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 ALA  HN           86 TRP  HA          4.40    (#    457:20  Unique         3.59, 3.61 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 312, 290, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:458     86 TRP  HA          6.00    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 353, 354, 316, 317, 318,
 &end
#
#   75 ILE  HG1+         75 ILE  HA          4.40    (#    459:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 122, 123,
 &end
#
#   78 GLU  HB+          75 ILE  HA          6.00    (#    460:20  Unique         3.87, 5.43 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 171, 172,
 &end
#
#   75 ILE  HN           75 ILE  HA          4.40    (#    461:20  Unique         2.25, 2.91 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   84 ARG  HN           80 SER  HA          6.00    (#    462:20  Unique         3.81, 3.99 A)
 &rst
  ixpk= 462, nxpk= 20, iat= 249, 201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 SER  HN           80 SER  HA          4.40    (#    463:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 463, nxpk= 20, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   94 VAL  MGX          84 ARG  HA          6.00    (#    464:20  Unique         2.26, 3.60 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:465     84 ARG  HA          4.40    (#    465:20  Single Ambig)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 532, 533, 534, 529, 530,
 &end
#
#    0 AMB  20-2:466     84 ARG  HA          4.40    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 273, 230,
 &end
#
#   87 ALA  HN           84 ARG  HA          4.40    (#    467:20  Unique         3.40, 3.55 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 312, 251, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  108 TYR  HD          108 TYR  HA          4.40    (#    468:20  Unique         2.75, 3.62 A)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 639, 648,
 &end
#
#  108 TYR  HN          108 TYR  HA          4.40    (#    469:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 469, nxpk= 20, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  100 ILE  HN          100 ILE  HA          4.40    (#    470:20  Unique         2.89, 2.94 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   88 ARG  HD+          85 GLU  HA          4.40    (#    471:20  Unique         2.71, 4.23 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 332, 333,
 &end
#
#   88 ARG  HD+          88 ARG  HA          4.40    (#    472:20  Unique         3.40, 4.56 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 332, 333,
 &end
#
#    0 AMB  20-2:473      0 AMB  20-1:473    2.60    (#    473:20  Double Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 277, 278, 542, 543, 427,
 igr2= 275, 521,
 &end
#
#   88 ARG  HB+          85 GLU  HA          2.60    (#    474:20  Unique         2.34, 3.07 A)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 326, 327,
 &end
#
#   92 HIS  HN           88 ARG  HA          4.40    (#    475:20  Unique         3.71, 4.03 A)
 &rst
  ixpk= 475, nxpk= 20, iat= 391, 324, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   89 ARG  HN           88 ARG  HA          4.40    (#    476:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 346, 324, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   89 ARG  HN           85 GLU  HA          6.00    (#    477:20  Unique         3.75, 3.94 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 346, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:478    109 HIS  HA          6.00    (#    478:20  Single Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 670, 723,
 &end
#
#   95 SER  HN           95 SER  HA          4.40    (#    479:20  Unique         2.80, 2.90 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 439, 441, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  113 LEU  HN          109 HIS  HA          4.40    (#    480:20  Unique         3.51, 3.75 A)
 &rst
  ixpk= 480, nxpk= 20, iat= 704, 654, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  108 TYR  HD          109 HIS  HA          4.40    (#    481:20  Unique         3.36, 4.83 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 639, 648,
 &end
#
#   82 ALA  MB           79 GLN  HA          2.60    (#    482:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 224, 225, 226,
 &end
#
#  107 ALA  HN          106 ASP  HA          4.40    (#    483:20  Unique         3.62, 3.63 A)
 &rst
  ixpk= 483, nxpk= 20, iat= 621, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   82 ALA  HN           79 GLN  HA          4.40    (#    484:20  Unique         2.93, 3.26 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 220, 184, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  105 ILE  MG2         106 ASP  HA          4.40    (#    485:20  Unique         3.61, 4.67 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 596, 597, 598,
 &end
#
#  106 ASP  HB+         106 ASP  HA          2.60    (#    486:20  Unique         2.44, 2.74 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 613, 614,
 &end
#
#    0 AMB  20-2:487     70 ARG  HA          3.50    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  47,  48,  78,  79,
 &end
#
#  102 ALA  MB          103 ASP  HA          4.40    (#    488:20  Unique         4.45, 5.03 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 556, 557, 558,
 &end
#
#   71 GLY  HN           70 ARG  HA          4.40    (#    489:20  Unique         2.08, 2.82 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  64,  42, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  107 ALA  HN          103 ASP  HA          6.00    (#    490:20  Unique         3.86, 4.04 A)
 &rst
  ixpk= 490, nxpk= 20, iat= 621, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  106 ASP  HN          103 ASP  HA          4.40    (#    491:20  Unique         3.50, 3.70 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 609, 564, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   99 ARG  HN           99 ARG  HA          4.40    (#    492:20  Unique         2.28, 2.88 A)
 &rst
  ixpk= 492, nxpk= 20, iat= 495, 497, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   99 ARG  HG+          99 ARG  HA          2.60    (#    493:20  Unique         2.40, 2.80 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 502, 503,
 &end
#
#   90 ASN  HB-          87 ALA  HA          4.40    (#    494:20  Unique         2.67, 3.76 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 374, 375,
 &end
#
#  104 VAL  MGX          87 ALA  HA          6.00    (#    495:20  Unique         3.82, 5.69 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#   90 ASN  HB+          87 ALA  HA          6.00    (#    496:20  Unique         2.67, 3.76 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 374, 375,
 &end
#
#   92 HIS  HB+          87 ALA  HA          6.00    (#    497:20  Unique         2.44, 3.36 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 395, 396,
 &end
#
#   86 TRP  HZ3          87 ALA  HA          4.40    (#    498:20  Unique         3.23, 3.63 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 305, 314, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   88 ARG  HN           87 ALA  HA          4.40    (#    499:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 499, nxpk= 20, iat= 322, 314, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   98 GLY  HN           97 ARG  HA          3.50    (#    500:20  Unique         2.29, 3.03 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 488, 466, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 ARG  HD-          81 ALA  HA          6.00    (#    501:20  Unique         2.21, 4.48 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 259, 260,
 &end
#
#   82 ALA  HN           81 ALA  HA          4.40    (#    502:20  Unique         3.57, 3.60 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 220, 212, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   84 ARG  HN           81 ALA  HA          4.40    (#    503:20  Unique         3.08, 3.46 A)
 &rst
  ixpk= 503, nxpk= 20, iat= 249, 212, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:504     82 ALA  HA          4.40    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 288, 249,
 &end
#
#    0 AMB  20-2:505    107 ALA  HA          4.40    (#    505:20  Single Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 631, 609,
 &end
#
#   90 ASN  HN           87 ALA  HA          4.40    (#    507:20  Unique         3.27, 3.47 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 370, 314, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   91 GLY  HN           90 ASN  HA          4.40    (#    508:20  Unique         3.18, 3.30 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 384, 372, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:509     90 ASN  HA          4.40    (#    509:20  Single Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 379, 380, 379, 380,
 &end
#
#    0 AMB  20-2:510    111 ALA  HA          6.00    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 723, 670,
 &end
#
#  114 GLU  HB+         111 ALA  HA          4.40    (#    511:20  Unique         2.99, 4.94 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 727, 728,
 &end
#
#   72 ARG  HB+          74 ALA  HA          6.00    (#    512:20  Unique         4.41, 6.24 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   92 HIS  HN           91 GLY  HA+         4.40    (#    513:20  Unique         3.04, 3.30 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 386, 387,
 &end
#
#   92 HIS  HN           91 GLY  HA-         4.40    (#    514:20  Unique         3.04, 3.30 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 386, 387,
 &end
#
#   97 ARG  HA           98 GLY  HA+         6.00    (#    516:20  Unique         4.29, 4.83 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#    0 AMB  20-2:517      0 AMB  20-1:517    4.40    (#    517:20  Double Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 499, 500, 468, 469,
 igr2= 490, 491, 490, 491,
 &end
#
#    0 AMB  20-2:518      0 AMB  20-1:518    6.00    (#    518:20  Double Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 471, 472, 502, 503,
 igr2= 490, 491, 490, 491,
 &end
#
#   84 ARG  HG+          84 ARG  HD-         3.50    (#    519:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 256, 257,
 igr2= 259, 260,
 &end
#
#   84 ARG  HB-          84 ARG  HD-         2.60    (#    520:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 253, 254,
 igr2= 259, 260,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    2.60    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 147, 148, 253, 254,
 igr2= 153, 154, 332, 333,
 &end
#
#   84 ARG  HE           84 ARG  HD+         4.40    (#    522:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 522, nxpk= 20, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 259, 260,
 &end
#
#  114 GLU  HN          113 LEU  HB+         6.00    (#    523:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 523, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 708, 709,
 &end
#
#  114 GLU  HN          113 LEU  HB-         6.00    (#    524:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 708, 709,
 &end
#
#   84 ARG  HG+          84 ARG  HD-         3.50    (#    526:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 256, 257,
 igr2= 259, 260,
 &end
#
#   84 ARG  HE           84 ARG  HD-         4.40    (#    527:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 259, 260,
 &end
#
#   76 ASP  HN           76 ASP  HB+         4.40    (#    528:20  Unique         2.44, 2.83 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 135, 136,
 &end
#
#   77 ARG  HN           76 ASP  HB+         4.40    (#    529:20  Unique         2.12, 3.57 A)
 &rst
  ixpk= 529, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:530      0 AMB  20-1:530    6.00    (#    530:20  Double Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 590, 574,
 igr2= 613, 614, 613, 614,
 &end
#
#  103 ASP  HA          103 ASP  HB-         2.60    (#    532:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 566, 567,
 &end
#
#  104 VAL  HN          103 ASP  HB+         6.00    (#    533:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 533, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 566, 567,
 &end
#
#  104 VAL  HN          103 ASP  HB-         6.00    (#    534:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 566, 567,
 &end
#
#   75 ILE  HN           75 ILE  HB          3.50    (#    535:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 535, nxpk= 20, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:536     75 ILE  HB          4.40    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 131, 199,
 &end
#
#   87 ALA  HA           90 ASN  HB-         4.40    (#    537:20  Unique         2.67, 3.76 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 374, 375,
 &end
#
#   90 ASN  HA           90 ASN  HB-         4.40    (#    538:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 374, 375,
 &end
#
#   93 ASN  HD2+         93 ASN  HB+         6.00    (#    539:20  Unique         2.26, 3.16 A)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 418, 419,
 igr2= 413, 414,
 &end
#
#   93 ASN  HD2+         93 ASN  HB-         6.00    (#    540:20  Unique         2.26, 3.16 A)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 418, 419,
 igr2= 413, 414,
 &end
#
#   94 VAL  HN           93 ASN  HB+         6.00    (#    541:20  Unique         2.96, 4.18 A)
 &rst
  ixpk= 541, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 413, 414,
 &end
#
#   94 VAL  HN           93 ASN  HB-         6.00    (#    542:20  Unique         2.96, 4.18 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 413, 414,
 &end
#
#  105 ILE  HA          108 TYR  HB+         3.50    (#    543:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 635, 636,
 &end
#
#  105 ILE  HA          108 TYR  HB-         4.40    (#    544:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 635, 636,
 &end
#
#   83 ILE  MG2         108 TYR  HB+         4.40    (#    545:20  Unique         2.34, 3.79 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 236, 237, 238,
 igr2= 635, 636,
 &end
#
#   83 ILE  MG2         108 TYR  HB-         4.40    (#    546:20  Unique         2.34, 3.79 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 236, 237, 238,
 igr2= 635, 636,
 &end
#
#    0 AMB  20-2:547      0 AMB  20-1:547    6.00    (#    547:20  Double Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 596, 597, 598, 532, 533, 534,
 igr2= 635, 636, 635, 636,
 &end
#
#    0 AMB  20-2:548    108 TYR  HB-         6.00    (#    548:20  Single Ambig)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 580, 581, 582, 584, 585, 586, 596, 597, 598,
 igr2= 635, 636,
 &end
#
#   86 TRP  HE3         108 TYR  HB-         6.00    (#    549:20  Unique         2.80, 3.85 A)
 &rst
  ixpk= 549, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 635, 636,
 &end
#
#  105 ILE  HA          105 ILE  HB          4.40    (#    550:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 550, nxpk= 20, iat= 592, 594, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   83 ILE  HG1+         83 ILE  HB          4.40    (#    551:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 240, 241,
 &end
#
#   83 ILE  HA           83 ILE  HB          4.40    (#    552:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   80 SER  HA           83 ILE  HB          4.40    (#    553:20  Unique         2.53, 2.84 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 201, 234, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   80 SER  HB-          83 ILE  HB          6.00    (#    554:20  Unique         4.35, 5.19 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 203, 204,
 &end
#
#    0 AMB  20-2:555      0 AMB  20-1:555    4.40    (#    555:20  Double Ambig)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 725, 706,
 igr2= 730, 731, 730, 731,
 &end
#
#  114 GLU  HA          114 GLU  HG-         4.40    (#    556:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 730, 731,
 &end
#
#  114 GLU  HN          114 GLU  HG+         4.40    (#    557:20  Unique         2.33, 3.76 A)
 &rst
  ixpk= 557, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 730, 731,
 &end
#
#  114 GLU  HN          114 GLU  HG-         6.00    (#    558:20  Unique         2.33, 3.76 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 730, 731,
 &end
#
#   83 ILE  MD1          79 GLN  HG-         6.00    (#    559:20  Unique         2.68, 6.29 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,
 igr2= 189, 190,
 &end
#
#   83 ILE  MD1          79 GLN  HG+         6.00    (#    560:20  Unique         2.68, 6.29 A)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,
 igr2= 189, 190,
 &end
#
#   79 GLN  HE2+         79 GLN  HG+         6.00    (#    561:20  Unique         2.31, 3.31 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 194, 195,
 igr2= 189, 190,
 &end
#
#   79 GLN  HE2+         79 GLN  HG-         6.00    (#    562:20  Unique         2.31, 3.31 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 194, 195,
 igr2= 189, 190,
 &end
#
#   79 GLN  HN           79 GLN  HG+         4.40    (#    563:20  Unique         2.17, 3.01 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 189, 190,
 &end
#
#   79 GLN  HN           79 GLN  HG-         4.40    (#    564:20  Unique         2.17, 3.01 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 189, 190,
 &end
#
#   87 ALA  MB           94 VAL  HB          4.40    (#    565:20  Unique         2.41, 3.26 A)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 316, 317, 318,
 &end
#
#   95 SER  HN           94 VAL  HB          6.00    (#    566:20  Unique         2.83, 3.98 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 439, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:567      0 AMB  20-1:567    4.40    (#    567:20  Double Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 562, 552,
 igr2= 545, 546, 545, 546,
 &end
#
#  104 VAL  HN          101 PRO  HB+         6.00    (#    568:20  Unique         2.51, 3.70 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 545, 546,
 &end
#
#  104 VAL  HN          101 PRO  HB-         4.40    (#    569:20  Unique         2.51, 3.70 A)
 &rst
  ixpk= 569, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 545, 546,
 &end
#
#    0 AMB  20-2:570    101 PRO  HB-         4.40    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 562, 552,
 igr2= 545, 546,
 &end
#
#  101 PRO  HA          101 PRO  HB-         4.40    (#    571:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 545, 546,
 &end
#
#  101 PRO  HD+         101 PRO  HB-         4.40    (#    572:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 539, 540,
 igr2= 545, 546,
 &end
#
#  101 PRO  HD+         101 PRO  HB+         6.00    (#    573:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 539, 540,
 igr2= 545, 546,
 &end
#
#  101 PRO  HD-         101 PRO  HB-         4.40    (#    574:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 539, 540,
 igr2= 545, 546,
 &end
#
#  104 VAL  MGY         101 PRO  HB+         8.00    (#    575:20  Unique         2.24, 5.73 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 545, 546,
 &end
#
#  104 VAL  MGY         101 PRO  HB-         3.50    (#    576:20  Unique         2.24, 5.73 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 545, 546,
 &end
#
#  101 PRO  HD-         101 PRO  HB+         6.00    (#    577:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 539, 540,
 igr2= 545, 546,
 &end
#
#   97 ARG  HA           97 ARG  HB-         4.40    (#    578:20  Unique         2.36, 2.68 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 468, 469,
 &end
#
#   97 ARG  HD+          97 ARG  HB+         4.40    (#    579:20  Unique         2.43, 3.27 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 474, 475,
 igr2= 468, 469,
 &end
#
#   97 ARG  HD+          97 ARG  HB-         4.40    (#    580:20  Unique         2.43, 3.27 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 474, 475,
 igr2= 468, 469,
 &end
#
#   87 ALA  MB           92 HIS  HB+         4.40    (#    582:20  Unique         2.37, 4.06 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 316, 317, 318,
 igr2= 395, 396,
 &end
#
#  104 VAL  MGY          92 HIS  HB-         4.40    (#    583:20  Unique         2.56, 5.02 A)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 395, 396,
 &end
#
#  104 VAL  MGY          92 HIS  HB+         4.40    (#    584:20  Unique         2.56, 5.02 A)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 395, 396,
 &end
#
#   92 HIS  HA           92 HIS  HB-         4.40    (#    585:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 395, 396,
 &end
#
#   87 ALA  HA           92 HIS  HB-         4.40    (#    586:20  Unique         2.44, 3.36 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 395, 396,
 &end
#
#   87 ALA  HA           92 HIS  HB+         6.00    (#    587:20  Unique         2.44, 3.36 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 395, 396,
 &end
#
#    0 AMB  20-2:588     92 HIS  HB-         4.40    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 405, 379, 380,
 igr2= 395, 396,
 &end
#
#    0 AMB  20-2:589      0 AMB  20-1:589    6.00    (#    589:20  Double Ambig)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 405, 379, 380,
 igr2= 395, 396, 395, 396,
 &end
#
#   92 HIS  HN           92 HIS  HB-         4.40    (#    590:20  Unique         2.36, 2.95 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 395, 396,
 &end
#
#   92 HIS  HN           92 HIS  HB+         4.40    (#    591:20  Unique         2.36, 2.95 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 395, 396,
 &end
#
#  104 VAL  HA          104 VAL  HB          3.50    (#    592:20  Unique         2.53, 2.93 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 576, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 PRO  HD+         104 VAL  HB          4.40    (#    593:20  Unique         2.69, 4.13 A)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 539, 540,
 &end
#
#  100 ILE  HN           99 ARG  HB+         4.40    (#    594:20  Unique         2.47, 3.51 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:595     84 ARG  HB-         4.40    (#    595:20  Single Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 532, 533, 534, 529, 530,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    4.40    (#    596:20  Double Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 532, 533, 534, 529, 530,
 igr2= 253, 254, 253, 254,
 &end
#
#   84 ARG  HG+          84 ARG  HB-         2.60    (#    597:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 256, 257,
 igr2= 253, 254,
 &end
#
#   84 ARG  HN           84 ARG  HB-         2.60    (#    598:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 253, 254,
 &end
#
#    0 AMB  20-2:600      0 AMB  20-1:600    4.40    (#    600:20  Double Ambig)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 752, 770,
 igr2= 742, 743, 742, 743,
 &end
#
#    0 AMB  20-2:601    115 HIS  HB-         4.40    (#    601:20  Single Ambig)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 752, 770,
 igr2= 742, 743,
 &end
#
#   83 ILE  HA           86 TRP  HB+         3.50    (#    602:20  Unique         2.28, 3.02 A)
 &rst
  ixpk= 602, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#   86 TRP  HA           86 TRP  HB+         2.60    (#    603:20  Unique         2.40, 2.72 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 292, 293,
 &end
#
#  108 TYR  HD           86 TRP  HB+         4.40    (#    604:20  Unique         2.42, 4.95 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 639, 648,
 igr2= 292, 293,
 &end
#
#  108 TYR  HD           86 TRP  HB-         4.40    (#    605:20  Unique         2.42, 4.95 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 639, 648,
 igr2= 292, 293,
 &end
#
#  108 TYR  HE           86 TRP  HB+         4.40    (#    606:20  Unique         2.53, 5.32 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 641, 646,
 igr2= 292, 293,
 &end
#
#  108 TYR  HE           86 TRP  HB-         4.40    (#    607:20  Unique         2.53, 5.32 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 641, 646,
 igr2= 292, 293,
 &end
#
#   86 TRP  HD1          86 TRP  HB+         6.00    (#    608:20  Unique         2.62, 3.23 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 292, 293,
 &end
#
#   87 ALA  HN           86 TRP  HB+         4.40    (#    609:20  Unique         2.52, 3.26 A)
 &rst
  ixpk= 609, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 292, 293,
 &end
#
#   87 ALA  HN           86 TRP  HB-         4.40    (#    610:20  Unique         2.52, 3.26 A)
 &rst
  ixpk= 610, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 292, 293,
 &end
#
#  109 HIS  HD2         109 HIS  HB+         4.40    (#    611:20  Unique         2.59, 3.27 A)
 &rst
  ixpk= 611, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 656, 657,
 &end
#
#    0 AMB  20-2:612      0 AMB  20-1:612    6.00    (#    612:20  Double Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 708, 709, 674, 675, 676,
 igr2= 656, 657, 656, 657,
 &end
#
#  105 ILE  HA          105 ILE  HG1-        4.40    (#    613:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 600, 601,
 &end
#
#  105 ILE  HA          105 ILE  HG1+        4.40    (#    614:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 614, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 600, 601,
 &end
#
#  105 ILE  HN          105 ILE  HG1+        4.40    (#    615:20  Unique         2.42, 3.17 A)
 &rst
  ixpk= 615, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 600, 601,
 &end
#
#   83 ILE  MD1         105 ILE  HG1+        4.40    (#    616:20  Unique         2.22, 3.60 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 243, 244, 245,
 igr2= 600, 601,
 &end
#
#  104 VAL  MGY         101 PRO  HG-         3.50    (#    617:20  Unique         2.18, 5.27 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 542, 543,
 &end
#
#  101 PRO  HB+         101 PRO  HG-         2.60    (#    618:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 545, 546,
 igr2= 542, 543,
 &end
#
#  101 PRO  HD-         101 PRO  HG-         4.40    (#    619:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 539, 540,
 igr2= 542, 543,
 &end
#
#  101 PRO  HD+         101 PRO  HG-         2.60    (#    620:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 539, 540,
 igr2= 542, 543,
 &end
#
#  101 PRO  HA          101 PRO  HG+         6.00    (#    621:20  Unique         3.08, 3.69 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 542, 543,
 &end
#
#  101 PRO  HA          101 PRO  HG-         4.40    (#    622:20  Unique         3.08, 3.69 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 542, 543,
 &end
#
#  100 ILE  HN          100 ILE  HG1+        6.00    (#    624:20  Unique         2.24, 3.07 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:625    100 ILE  HG1-        2.60    (#    625:20  Single Ambig)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 521, 539, 540,
 igr2= 529, 530,
 &end
#
#   89 ARG  HD+          89 ARG  HG-         2.60    (#    626:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 356, 357,
 igr2= 353, 354,
 &end
#
#   89 ARG  HN           89 ARG  HG-         6.00    (#    627:20  Unique         2.41, 3.21 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 353, 354,
 &end
#
#   89 ARG  HN            0 AMB  20-1:628    4.40    (#    628:20  Single Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 353, 354, 329, 330,
 &end
#
#   83 ILE  MD1          83 ILE  HG1+        3.50    (#    631:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 243, 244, 245,
 igr2= 240, 241,
 &end
#
#   83 ILE  MD1          83 ILE  HG1-        2.60    (#    632:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 243, 244, 245,
 igr2= 240, 241,
 &end
#
#   83 ILE  HA           83 ILE  HG1-        4.40    (#    634:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 240, 241,
 &end
#
#   83 ILE  HA           83 ILE  HG1+        4.40    (#    635:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 635, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 240, 241,
 &end
#
#   83 ILE  HN           83 ILE  HG1+        6.00    (#    636:20  Unique         2.20, 2.97 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#    0 AMB  20-2:637     75 ILE  HG1-        6.00    (#    637:20  Single Ambig)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 112, 102,
 igr2= 122, 123,
 &end
#
#    0 AMB  20-2:638      0 AMB  20-1:638    4.40    (#    638:20  Double Ambig)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 112, 102,
 igr2= 122, 123, 122, 123,
 &end
#
#    0 AMB  20-2:639    104 VAL  MGY         6.00    (#    639:20  Single Ambig)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 562, 552,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   87 ALA  MB          104 VAL  MGY         4.40    (#    640:20  Unique         2.38, 4.54 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 316, 317, 318,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   84 ARG  HA           94 VAL  MGY         6.00    (#    641:20  Unique         2.26, 3.60 A)
 &rst
  ixpk= 641, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   94 VAL  HN           94 VAL  MGY         4.40    (#    642:20  Unique         2.62, 4.19 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   95 SER  HN           94 VAL  MGY         4.40    (#    643:20  Unique         2.31, 3.98 A)
 &rst
  ixpk= 643, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  20-2:644    104 VAL  MGX         4.40    (#    644:20  Single Ambig)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 395, 396, 566, 567, 635, 636,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   92 HIS  HB+         104 VAL  MGX         6.00    (#    645:20  Unique         2.56, 5.02 A)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 395, 396,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HD+         104 VAL  MGX         4.40    (#    646:20  Unique         2.43, 4.97 A)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 539, 540,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  108 TYR  HD          112 THR  MG2         6.00    (#    647:20  Unique         3.67, 5.11 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 639, 648,
 igr2= 696, 697, 698,
 &end
#
#   86 TRP  HH2         111 ALA  MB          4.40    (#    649:20  Unique         3.54, 4.78 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 684, 685, 686,
 &end
#
#   92 HIS  HD2          87 ALA  MB          8.00    (#    650:20  Unique         3.47, 4.80 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 316, 317, 318,
 &end
#
#  108 TYR  HE           82 ALA  MB          4.40    (#    651:20  Unique         3.17, 5.55 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 641, 646,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:652    100 ILE  MG2         4.40    (#    652:20  Single Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 519, 552, 562,
 igr2= 525, 526, 527,
 &end
#
#   83 ILE  MG2         100 ILE  MG2         2.60    (#    653:20  Unique         2.32, 3.86 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 236, 237, 238,
 igr2= 525, 526, 527,
 &end
#
#    0 AMB  20-2:654     75 ILE  MG2         6.00    (#    654:20  Single Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 171, 172, 186, 187,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  20-2:655     75 ILE  MG2         4.40    (#    655:20  Single Ambig)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 203, 204, 201,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  20-2:656     75 ILE  MG2         4.40    (#    656:20  Single Ambig)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 112, 102,
 igr2= 118, 119, 120,
 &end
#
#   86 TRP  HE3          83 ILE  MG2         6.00    (#    657:20  Unique         2.99, 4.16 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HD           83 ILE  MG2         4.40    (#    658:20  Unique         3.31, 5.20 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 639, 648,
 igr2= 236, 237, 238,
 &end
#
#   84 ARG  HA           83 ILE  MG2         4.40    (#    659:20  Unique         3.65, 4.80 A)
 &rst
  ixpk= 659, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HB+          83 ILE  MG2         4.40    (#    660:20  Unique         2.34, 3.79 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 635, 636,
 igr2= 236, 237, 238,
 &end
#
#   83 ILE  HG1+         83 ILE  MG2         3.50    (#    662:20  Unique         2.41, 3.50 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 240, 241,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HD           83 ILE  MD1         4.40    (#    664:20  Unique         3.06, 5.07 A)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 639, 648,
 igr2= 243, 244, 245,
 &end
#
#   83 ILE  MG2          83 ILE  HA          2.60    (#    665:20  Unique         2.54, 3.22 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 236, 237, 238,
 &end
#
#   83 ILE  HG1+         83 ILE  HA          3.50    (#    666:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#   97 ARG  HG+          96 THR  HB          6.00    (#    668:20  Unique         2.81, 5.29 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 471, 472,
 &end
#
#   97 ARG  HN           96 THR  HB          6.00    (#    670:20  Unique         3.14, 3.87 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 464, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 THR  HN           96 THR  HB          6.00    (#    671:20  Unique         3.59, 3.64 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   83 ILE  MG2         105 ILE  HA          3.50    (#    672:20  Unique         2.49, 3.48 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 &end
#
#   83 ILE  MD1          80 SER  HB+         6.00    (#    673:20  Unique         4.25, 6.48 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,
 igr2= 203, 204,
 &end
#
#   83 ILE  MD1          80 SER  HB-         6.00    (#    674:20  Unique         4.25, 6.48 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 243, 244, 245,
 igr2= 203, 204,
 &end
#
#   83 ILE  MD1          80 SER  HA          4.40    (#    677:20  Unique         2.33, 4.13 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 243, 244, 245,
 &end
#
#   85 GLU  HB+          86 TRP  HA          6.00    (#    678:20  Unique         4.24, 5.01 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 277, 278,
 &end
#
#    0 AMB  20-2:679     86 TRP  HA          6.00    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 280, 281, 374, 375,
 &end
#
#   86 TRP  HD1          86 TRP  HA          6.00    (#    680:20  Unique         3.08, 3.19 A)
 &rst
  ixpk= 680, nxpk= 20, iat= 296, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 SER  HB-          80 SER  HA          2.60    (#    681:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 203, 204,
 &end
#
#  100 ILE  HG1-         80 SER  HA          6.00    (#    682:20  Unique         3.50, 4.94 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 529, 530,
 &end
#
#   83 ILE  MG2          84 ARG  HA          4.40    (#    683:20  Unique         3.65, 4.80 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 236, 237, 238,
 &end
#
#   88 ARG  HN           84 ARG  HA          6.00    (#    685:20  Unique         3.82, 3.96 A)
 &rst
  ixpk= 685, nxpk= 20, iat= 322, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 ILE  HG1+        100 ILE  HA          2.60    (#    686:20  Unique         2.33, 2.70 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 529, 530,
 &end
#
#   90 ASN  HN           88 ARG  HA          6.00    (#    687:20  Unique         4.23, 4.34 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 370, 324, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 GLY  HN           88 ARG  HA          6.00    (#    688:20  Unique         3.40, 3.56 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 384, 324, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 ALA  HN           85 GLU  HA          6.00    (#    689:20  Unique         4.42, 4.55 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 312, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:690     88 ARG  HA          6.00    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 411, 393,
 &end
#
#   88 ARG  HG+          88 ARG  HA          2.60    (#    691:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 329, 330,
 &end
#
#   88 ARG  HB+          88 ARG  HA          2.60    (#    692:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 326, 327,
 &end
#
#   88 ARG  HN           88 ARG  HA          3.50    (#    693:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 GLU  HB+          78 GLU  HA          2.60    (#    694:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 171, 172,
 &end
#
#    0 AMB  20-2:695     78 GLU  HA          3.50    (#    695:20  Single Ambig)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 174, 175, 189, 190,
 &end
#
#   81 ALA  MB           78 GLU  HA          6.00    (#    696:20  Unique         2.29, 4.33 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 214, 215, 216,
 &end
#
#    0 AMB  20-2:697     79 GLN  HA          6.00    (#    697:20  Single Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 230, 210,
 &end
#
#   89 ARG  HD+          89 ARG  HA          4.40    (#    698:20  Unique         2.43, 4.49 A)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 356, 357,
 &end
#
#   90 ASN  HN           89 ARG  HA          4.40    (#    699:20  Unique         3.43, 3.52 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 370, 348, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   91 GLY  HN           89 ARG  HA          6.00    (#    700:20  Unique         3.61, 3.94 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 384, 348, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 ARG  HN           89 ARG  HA          6.00    (#    701:20  Unique         5.33, 5.49 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 322, 348, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 ALA  HN          106 ASP  HA          6.00    (#    704:20  Unique         3.94, 3.98 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 670, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 ILE  HB          106 ASP  HA          6.00    (#    705:20  Unique         4.61, 4.69 A)
 &rst
  ixpk= 705, nxpk= 20, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 ASP  HB+         103 ASP  HA          2.60    (#    706:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 566, 567,
 &end
#
#    0 AMB  20-2:707     99 ARG  HA          6.00    (#    707:20  Single Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 529, 530, 532, 533, 534,
 &end
#
#    0 AMB  20-2:708    102 ALA  HA          6.00    (#    708:20  Single Ambig)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 548, 564, 611,
 &end
#
#  106 ASP  HN          102 ALA  HA          6.00    (#    709:20  Unique         3.68, 3.79 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 609, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 HIS  HN           87 ALA  HA          6.00    (#    710:20  Unique         3.08, 3.45 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 391, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 ARG  HN           87 ALA  HA          6.00    (#    711:20  Unique         4.34, 4.58 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 346, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 GLU  HG+          82 ALA  HA          6.00    (#    712:20  Unique         4.01, 5.23 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 280, 281,
 &end
#
#    0 AMB  20-2:713    110 ALA  HA          4.40    (#    713:20  Single Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719,
 &end
#
#  113 LEU  HB+         110 ALA  HA          3.50    (#    714:20  Unique         2.36, 4.04 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 708, 709,
 &end
#
#  111 ALA  HN          110 ALA  HA          4.40    (#    715:20  Unique         3.59, 3.62 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  113 LEU  HN          110 ALA  HA          6.00    (#    716:20  Unique         3.22, 3.72 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 704, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 GLU  HB+          76 ASP  HA          8.00    (#    717:20  Unique         3.68, 6.44 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 171, 172,
 &end
#
#  101 PRO  HB+         101 PRO  HD+         6.00    (#    719:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546,
 igr2= 539, 540,
 &end
#
#  101 PRO  HB+         101 PRO  HD-         6.00    (#    720:20  Unique         2.80, 3.71 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546,
 igr2= 539, 540,
 &end
#
#   72 ARG  HA           72 ARG  HD+         4.40    (#    723:20  Unique         2.19, 4.30 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=  81,  82,
 &end
#
#    0 AMB  20-2:725      0 AMB  20-1:725    6.00    (#    725:20  Double Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 114, 145,
 igr2= 135, 136, 135, 136,
 &end
#
#    0 AMB  20-2:726     76 ASP  HB-         6.00    (#    726:20  Single Ambig)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 114, 145,
 igr2= 135, 136,
 &end
#
#  107 ALA  MB          106 ASP  HB+         6.00    (#    727:20  Unique         4.32, 5.84 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 625, 626, 627,
 igr2= 613, 614,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    6.00    (#    728:20  Double Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 556, 557, 558, 674, 675, 676,
 igr2= 613, 614, 613, 614,
 &end
#
#    0 AMB  20-2:729      0 AMB  20-1:729    6.00    (#    729:20  Double Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 596, 597, 598, 603, 604, 605,
 igr2= 613, 614, 613, 614,
 &end
#
#   87 ALA  HA           90 ASN  HB+         6.00    (#    730:20  Unique         2.67, 3.76 A)
 &rst
  ixpk= 730, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 374, 375,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.40    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 379, 380, 379, 380,
 igr2= 350, 351, 350, 351,
 &end
#
#   85 GLU  HN           84 ARG  HB-         4.40    (#    735:20  Unique         2.34, 3.14 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 253, 254,
 &end
#
#  105 ILE  HB          105 ILE  HG1+        4.40    (#    739:20  Unique         2.71, 2.88 A)
 &rst
  ixpk= 739, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 600, 601,
 &end
#
#    0 AMB  20-2:740      0 AMB  20-1:740    4.40    (#    740:20  Double Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 521, 539, 540,
 igr2= 529, 530, 529, 530,
 &end
#
#   88 ARG  HB+          88 ARG  HG-         2.60    (#    744:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 326, 327,
 igr2= 329, 330,
 &end
#
#    0 AMB  20-2:745      0 AMB  20-1:745    2.60    (#    745:20  Double Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 326, 327, 326, 327,
 igr2= 329, 330, 353, 354,
 &end
#
#   88 ARG  HN           88 ARG  HG-         4.40    (#    746:20  Unique         2.45, 4.27 A)
 &rst
  ixpk= 746, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 329, 330,
 &end
#
#   88 ARG  HN           88 ARG  HG+         4.40    (#    747:20  Unique         2.45, 4.27 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 329, 330,
 &end
#
#   88 ARG  HD+          88 ARG  HG-         2.60    (#    749:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 332, 333,
 igr2= 329, 330,
 &end
#
#   75 ILE  HA           75 ILE  HG1-        6.00    (#    750:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   75 ILE  HA           75 ILE  HG1+        6.00    (#    751:20  Unique         2.31, 3.06 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   75 ILE  HB           75 ILE  HG1+        4.40    (#    752:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 752, nxpk= 20, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 122, 123,
 &end
#
#  101 PRO  HG+         104 VAL  MGY         2.60    (#    753:20  Unique         2.18, 5.27 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HB+         104 VAL  MGY         4.40    (#    754:20  Unique         2.24, 5.73 A)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 545, 546,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:755    104 VAL  MGY         4.40    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 395, 396, 566, 567,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#   96 THR  HN           96 THR  MG2         6.00    (#    756:20  Unique         2.38, 3.37 A)
 &rst
  ixpk= 756, nxpk= 20, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 456, 457, 458,
 &end
#
#   95 SER  HA           96 THR  MG2         6.00    (#    757:20  Unique         3.68, 4.94 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 456, 457, 458,
 &end
#
#   86 TRP  HH2         104 VAL  MGX         6.00    (#    758:20  Unique         4.32, 6.41 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:759    104 VAL  MGX         3.50    (#    759:20  Single Ambig)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 574, 590,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:760    104 VAL  MGX         6.00    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 631, 609,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  20-2:761     94 VAL  MGX         6.00    (#    761:20  Single Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 411, 393,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   95 SER  HN           94 VAL  MGX         6.00    (#    762:20  Unique         2.31, 3.98 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#  112 THR  HA          112 THR  MG2         2.60    (#    763:20  Unique         2.44, 3.09 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 696, 697, 698,
 &end
#
#    0 AMB  20-2:766    111 ALA  MB          4.40    (#    766:20  Single Ambig)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 670, 723,
 igr2= 684, 685, 686,
 &end
#
#  106 ASP  HN          102 ALA  MB          6.00    (#    767:20  Unique         4.38, 5.21 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 556, 557, 558,
 &end
#
#   83 ILE  MG2          87 ALA  MB          4.40    (#    768:20  Unique         3.52, 5.23 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 236, 237, 238,
 igr2= 316, 317, 318,
 &end
#
#  106 ASP  HB+         107 ALA  MB          4.40    (#    769:20  Unique         4.32, 5.84 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 613, 614,
 igr2= 625, 626, 627,
 &end
#
#  104 VAL  HB          107 ALA  MB          4.40    (#    770:20  Unique         4.61, 5.68 A)
 &rst
  ixpk= 770, nxpk= 20, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 625, 626, 627,
 &end
#
#  108 TYR  HA          107 ALA  MB          6.00    (#    771:20  Unique         4.45, 5.02 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 625, 626, 627,
 &end
#
#  104 VAL  MGY         107 ALA  MB          4.40    (#    772:20  Unique         3.06, 5.41 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 625, 626, 627,
 &end
#
#   92 HIS  HE1         107 ALA  MB          6.00    (#    773:20  Unique         3.62, 6.07 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 625, 626, 627,
 &end
#
#  111 ALA  HN          107 ALA  MB          6.00    (#    774:20  Unique         5.01, 5.84 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  20-2:775     83 ILE  MG2         6.00    (#    775:20  Single Ambig)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 292, 293, 576, 314,
 igr2= 236, 237, 238,
 &end
#
#    0 AMB  20-2:776     83 ILE  MG2         6.00    (#    776:20  Single Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 201, 203, 204,
 igr2= 236, 237, 238,
 &end
#
#    0 AMB  20-2:777    100 ILE  MG2         6.00    (#    777:20  Single Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 554, 201, 203, 204,
 igr2= 525, 526, 527,
 &end
#
#  102 ALA  HA          105 ILE  MG2         4.40    (#    778:20  Unique         4.01, 4.53 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 596, 597, 598,
 &end
#
#  109 HIS  HB+         105 ILE  MG2         6.00    (#    779:20  Unique         4.27, 6.02 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 656, 657,
 igr2= 596, 597, 598,
 &end
#
#    0 AMB  20-2:780    105 ILE  MG2         4.40    (#    780:20  Single Ambig)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 590, 574,
 igr2= 596, 597, 598,
 &end
#
#  108 TYR  HN           83 ILE  MG2         6.00    (#    781:20  Unique         3.90, 5.04 A)
 &rst
  ixpk= 781, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 236, 237, 238,
 &end
#
#   87 ALA  HN           83 ILE  MG2         6.00    (#    782:20  Unique         4.23, 5.01 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HE           83 ILE  MG2         6.00    (#    783:20  Unique         4.94, 6.60 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 646,
 igr2= 236, 237, 238,
 &end
#
#  108 TYR  HD          105 ILE  MG2         6.00    (#    784:20  Unique         3.48, 6.74 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 639, 648,
 igr2= 596, 597, 598,
 &end
#
#   83 ILE  HB          100 ILE  MD1         3.50    (#    785:20  Unique         2.41, 3.13 A)
 &rst
  ixpk= 785, nxpk= 20, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 532, 533, 534,
 &end
#
#  108 TYR  HE           83 ILE  MD1         6.00    (#    786:20  Unique         3.26, 5.57 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 646,
 igr2= 243, 244, 245,
 &end
#
#    0 AMB  20-2:787     83 ILE  MD1         4.40    (#    787:20  Single Ambig)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 230, 210,
 igr2= 243, 244, 245,
 &end
#
#   83 ILE  HA           83 ILE  MD1         6.00    (#    788:20  Unique         4.39, 4.65 A)
 &rst
  ixpk= 788, nxpk= 20, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 243, 244, 245,
 &end
#
#  105 ILE  HA           83 ILE  MD1         6.00    (#    789:20  Unique         2.36, 3.76 A)
 &rst
  ixpk= 789, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 243, 244, 245,
 &end
#
#   79 GLN  HG-          83 ILE  MD1         8.00    (#    790:20  Unique         2.68, 6.29 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 189, 190,
 igr2= 243, 244, 245,
 &end
#
#  108 TYR  HD          108 TYR  HE          3.50    (#    791:20  Unique         2.48, 3.74 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 639, 648,
 igr2= 641, 646,
 &end
#
#   86 TRP  HB-         108 TYR  HE          6.00    (#    792:20  Unique         2.53, 5.32 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 292, 293,
 igr2= 641, 646,
 &end
#
#   86 TRP  HB+         108 TYR  HE          6.00    (#    793:20  Unique         2.53, 5.32 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 292, 293,
 igr2= 641, 646,
 &end
#
#  112 THR  MG2         108 TYR  HE          6.00    (#    795:20  Unique         3.17, 4.51 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 696, 697, 698,
 igr2= 641, 646,
 &end
#
#   86 TRP  HH2          86 TRP  HZ2         3.50    (#    796:20  Unique         2.48, 2.49 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 303, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 TRP  HE1          86 TRP  HZ2         4.40    (#    797:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 298, 301, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  111 ALA  MB           86 TRP  HZ2         4.40    (#    798:20  Unique         2.26, 2.96 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 684, 685, 686,
 &end
#
#   77 ARG  HB+          76 ASP  HA          6.00    (#    800:20  Unique         4.17, 5.60 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 147, 148,
 &end
#
#   75 ILE  MG2          76 ASP  HA          6.00    (#    801:20  Unique         3.71, 5.02 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   66 SER  HB+          66 SER  HA          4.40    (#    802:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=   8,   9,
 &end
#
#   94 VAL  HA           95 SER  HB-         4.40    (#    805:20  Unique         4.42, 4.87 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 443, 444,
 &end
#
#    0 AMB  20-2:807     77 ARG  HA          3.50    (#    807:20  Single Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 143, 167,
 &end
#
#   79 GLN  HG-          77 ARG  HA          6.00    (#    808:20  Unique         3.70, 5.96 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 189, 190,
 &end
#
#    0 AMB  20-2:814      0 AMB  20-1:814    6.00    (#    814:20  Double Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 143, 167,
 igr2= 150, 151, 150, 151,
 &end
#
#    0 AMB  20-2:815      0 AMB  20-1:815    2.60    (#    815:20  Double Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 145, 324,
 igr2= 150, 151, 329, 330,
 &end
#
#    0 AMB  20-2:816      0 AMB  20-1:816    2.60    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 332, 333, 153, 154,
 igr2= 329, 330, 150, 151,
 &end
#
#   78 GLU  HN           78 GLU  HA          3.50    (#    817:20  Unique         2.63, 2.82 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 167, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:818      0 AMB  20-1:818    3.50    (#    818:20  Double Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 131, 199,
 igr2= 171, 172, 171, 172,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    4.40    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 214, 215, 216, 224, 225, 226,
 igr2= 171, 172, 277, 278, 171, 172,
 &end
#
#   75 ILE  MG2          78 GLU  HB+         4.40    (#    820:20  Unique         2.25, 4.38 A)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 118, 119, 120,
 igr2= 171, 172,
 &end
#
#   79 GLN  HN           79 GLN  HB+         2.60    (#    822:20  Unique         2.36, 3.03 A)
 &rst
  ixpk= 822, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 186, 187,
 &end
#
#   80 SER  HN           79 GLN  HB+         3.50    (#    823:20  Unique         2.60, 3.56 A)
 &rst
  ixpk= 823, nxpk= 20, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 186, 187,
 &end
#
#   79 GLN  HG+          79 GLN  HB+         2.60    (#    825:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 189, 190,
 igr2= 186, 187,
 &end
#
#   79 GLN  HG-          79 GLN  HB+         2.60    (#    826:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 189, 190,
 igr2= 186, 187,
 &end
#
#   81 ALA  HA           81 ALA  MB          2.60    (#    827:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 214, 215, 216,
 &end
#
#  107 ALA  MB          107 ALA  HA          2.60    (#    828:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 625, 626, 627,
 &end
#
#  117 HIS  HB-         114 GLU  HB+         3.50    (#    829:20  Unique         2.42, 4.61 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 778, 779,
 igr2= 727, 728,
 &end
#
#  117 HIS  HB+         114 GLU  HB+         4.40    (#    831:20  Unique         2.42, 4.61 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 778, 779,
 igr2= 727, 728,
 &end
#
#   97 ARG  HN           97 ARG  HG+         6.00    (#    833:20  Unique         2.33, 3.71 A)
 &rst
  ixpk= 833, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:834      0 AMB  20-1:834    2.60    (#    834:20  Double Ambig)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 273, 210,
 igr2= 277, 278, 171, 172,
 &end
#
#    0 AMB  20-2:835      0 AMB  20-1:835    2.60    (#    835:20  Double Ambig)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 280, 281, 189, 190,
 igr2= 277, 278, 171, 172,
 &end
#
#   89 ARG  HD+          89 ARG  HG+         2.60    (#    836:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 356, 357,
 igr2= 353, 354,
 &end
#
#   96 THR  MG2          95 SER  HA          6.00    (#    838:20  Unique         3.68, 4.94 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 456, 457, 458,
 &end
#
#   96 THR  HN           96 THR  HA          6.00    (#    839:20  Unique         2.24, 2.89 A)
 &rst
  ixpk= 839, nxpk= 20, iat= 450, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 ARG  HN           97 ARG  HA          4.40    (#    840:20  Unique         2.88, 2.99 A)
 &rst
  ixpk= 840, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   97 ARG  HG+          97 ARG  HB+         2.60    (#    841:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 471, 472,
 igr2= 468, 469,
 &end
#
#   97 ARG  HG+          97 ARG  HB-         2.60    (#    842:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 471, 472,
 igr2= 468, 469,
 &end
#
#   97 ARG  HA           97 ARG  HG+         3.50    (#    843:20  Unique         2.47, 3.32 A)
 &rst
  ixpk= 843, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#   99 ARG  HN           99 ARG  HG+         4.40    (#    844:20  Unique         2.36, 3.53 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 502, 503,
 &end
#
#   97 ARG  HB+          97 ARG  HG+         2.60    (#    845:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 468, 469,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:846      0 AMB  20-1:846    2.60    (#    846:20  Double Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 505, 506, 474, 475,
 igr2= 502, 503, 471, 472,
 &end
#
#   99 ARG  HD+          99 ARG  HA          6.00    (#    847:20  Unique         3.82, 4.51 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 505, 506,
 &end
#
#   99 ARG  HG+          99 ARG  HB+         2.60    (#    848:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 502, 503,
 igr2= 499, 500,
 &end
#
#  100 ILE  HN           99 ARG  HG+         6.00    (#    849:20  Unique         2.60, 4.03 A)
 &rst
  ixpk= 849, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 502, 503,
 &end
#
#   99 ARG  HN           99 ARG  HG+         4.40    (#    850:20  Unique         2.36, 3.53 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 502, 503,
 &end
#
#   97 ARG  HN           97 ARG  HG+         6.00    (#    851:20  Unique         2.33, 3.71 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 471, 472,
 &end
#
#   99 ARG  HA           99 ARG  HG+         3.50    (#    852:20  Unique         2.40, 2.80 A)
 &rst
  ixpk= 852, nxpk= 20, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 502, 503,
 &end
#
#    0 AMB  20-2:853      0 AMB  20-1:853    2.60    (#    853:20  Double Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 505, 506, 474, 475,
 igr2= 502, 503, 471, 472,
 &end
#
#  100 ILE  HN          100 ILE  MD1         4.40    (#    855:20  Unique         4.08, 4.72 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 532, 533, 534,
 &end
#
#    0 AMB  20-2:858    105 ILE  MD1         6.00    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 590, 574,
 igr2= 603, 604, 605,
 &end
#
#  105 ILE  HA          105 ILE  MD1         4.40    (#    859:20  Unique         4.42, 4.61 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 603, 604, 605,
 &end
#
#  105 ILE  HB          105 ILE  MD1         3.50    (#    860:20  Unique         2.48, 2.96 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 603, 604, 605,
 &end
#
#    0 AMB  20-2:861    105 ILE  MD1         6.00    (#    861:20  Single Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 519, 552, 562,
 igr2= 603, 604, 605,
 &end
#
#    0 AMB  20-2:862      0 AMB  20-1:862    3.50    (#    862:20  Double Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 554,  97,  98,
 igr2= 603, 604, 605, 125, 126, 127,
 &end
#
#  110 ALA  HN          107 ALA  HA          3.50    (#    863:20  Unique         3.40, 3.51 A)
 &rst
  ixpk= 863, nxpk= 20, iat= 670, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 VAL  MGX         107 ALA  MB          4.40    (#    864:20  Unique         3.06, 5.41 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 625, 626, 627,
 &end
#
#  108 TYR  HA          108 TYR  HB+         2.60    (#    865:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#  108 TYR  HA          108 TYR  HB-         2.60    (#    866:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 635, 636,
 &end
#
#  117 HIS  HN          116 HIS  HB+         4.40    (#    867:20  Unique         2.85, 4.24 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 760, 761,
 &end
#
#  116 HIS  HA          116 HIS  HB+         3.50    (#    868:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 760, 761,
 &end
#
#  113 LEU  HB-         113 LEU  HA          2.60    (#    869:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 708, 709,
 &end
#
#  113 LEU  HA          113 LEU  MDX         4.40    (#    870:20  Unique         2.25, 3.87 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  109 HIS  HB+         113 LEU  MDX         6.00    (#    871:20  Unique         2.51, 6.25 A)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 656, 657,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HB-         113 LEU  MDX         4.40    (#    872:20  Unique         2.42, 3.32 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 708, 709,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HA          113 LEU  MDY         3.50    (#    873:20  Unique         2.25, 3.87 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HB-         113 LEU  MDY         3.50    (#    874:20  Unique         2.42, 3.32 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 708, 709,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HG          113 LEU  MDY         3.50    (#    875:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 875, nxpk= 20, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HB+         113 LEU  MDY         4.40    (#    876:20  Unique         2.42, 3.32 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 708, 709,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#    0 AMB  20-2:877    113 LEU  MDY         6.00    (#    877:20  Single Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 723, 670,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  HN          113 LEU  MDY         6.00    (#    878:20  Unique         3.59, 4.93 A)
 &rst
  ixpk= 878, nxpk= 20, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 713, 714, 715, 717, 718, 719,
 &end
#
#  113 LEU  MDX         114 GLU  HB+         6.00    (#    880:20  Unique         4.74, 7.63 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 713, 714, 715, 717, 718, 719,
 igr2= 727, 728,
 &end
#
#   70 ARG  HN           70 ARG  HA          6.00    (#    882:20  Unique         2.27, 2.80 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  40,  42, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:883     70 ARG  HA          4.40    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  66,  67,  35,  36,
 &end
#
#   70 ARG  HA            0 AMB  20-1:884    3.50    (#    884:20  Single Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  44,  45,  75,  76,
 &end
#
#   70 ARG  HA            0 AMB  20-1:885    3.50    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  44,  45,  75,  76,
 &end
#
#    0 AMB  20-2:886      0 AMB  20-1:886    2.60    (#    886:20  Double Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  78,  79,  47,  48,  78,  79,
 igr2=  75,  76,  44,  45,  44,  45,
 &end
#
#    0 AMB  20-2:889     77 ARG  HG-         6.00    (#    889:20  Single Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 143, 167,
 igr2= 150, 151,
 &end
#
#   70 ARG  HA            0 AMB  20-1:890    4.40    (#    890:20  Single Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=  47,  48,  78,  79,
 &end
#
#   77 ARG  HA           77 ARG  HG-         3.50    (#    891:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 150, 151,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    2.60    (#    892:20  Double Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  81,  82,  50,  51,
 igr2=  78,  79,  47,  48,
 &end
#
#  108 TYR  HB-         108 TYR  HA          2.60    (#    896:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 635, 636,
 &end
#
#   94 VAL  MGY          94 VAL  HB          3.50    (#    898:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#  115 HIS  HD2         115 HIS  HA          6.00    (#    899:20  Unique         2.41, 3.81 A)
 &rst
  ixpk= 899, nxpk= 20, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 HIS  HB+         115 HIS  HA          2.60    (#    900:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 742, 743,
 &end
#
#  115 HIS  HB-         115 HIS  HA          2.60    (#    901:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 742, 743,
 &end
#
#   84 ARG  HA           84 ARG  HG+         4.40    (#    902:20  Unique         2.41, 2.85 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 256, 257,
 &end
#
#   84 ARG  HD+          84 ARG  HG+         4.40    (#    903:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 259, 260,
 igr2= 256, 257,
 &end
#
#   84 ARG  HD-          84 ARG  HG+         6.00    (#    904:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 259, 260,
 igr2= 256, 257,
 &end
#
#   84 ARG  HN           84 ARG  HG+         6.00    (#    905:20  Unique         2.19, 4.17 A)
 &rst
  ixpk= 905, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 256, 257,
 &end
#
#   84 ARG  HB+          84 ARG  HG+         2.60    (#    906:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 253, 254,
 igr2= 256, 257,
 &end
#
#  112 THR  MG2         111 ALA  MB          4.40    (#    909:20  Unique         3.06, 5.17 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 696, 697, 698,
 igr2= 684, 685, 686,
 &end
#
#   97 ARG  HN           95 SER  HB+         6.00    (#    910:20  Unique         2.81, 3.98 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 443, 444,
 &end
#
#   84 ARG  HA           84 ARG  HB-         3.50    (#    911:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 253, 254,
 &end
#
#   84 ARG  HD+          84 ARG  HB-         3.50    (#    912:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 259, 260,
 igr2= 253, 254,
 &end
#
#   84 ARG  HD-          84 ARG  HB-         3.50    (#    913:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 259, 260,
 igr2= 253, 254,
 &end
#
#  108 TYR  HE          108 TYR  HB+         6.00    (#    914:20  Unique         4.67, 5.09 A)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 641, 646,
 igr2= 635, 636,
 &end
#
#  108 TYR  HE          108 TYR  HB-         6.00    (#    915:20  Unique         4.67, 5.09 A)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 641, 646,
 igr2= 635, 636,
 &end
#
#  105 ILE  HB          102 ALA  MB          3.50    (#    916:20  Unique         3.83, 4.47 A)
 &rst
  ixpk= 916, nxpk= 20, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 556, 557, 558,
 &end
#
#   86 TRP  HE3          86 TRP  HB-         3.50    (#    917:20  Unique         2.60, 3.40 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#   86 TRP  HE3          86 TRP  HB+         3.50    (#    918:20  Unique         2.60, 3.40 A)
 &rst
  ixpk= 918, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 292, 293,
 &end
#
#   84 ARG  HN           87 ALA  MB          6.00    (#    920:20  Unique         5.00, 5.81 A)
 &rst
  ixpk= 920, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 316, 317, 318,
 &end
#
#   84 ARG  HN            0 AMB  20-1:921    4.40    (#    921:20  Single Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 224, 225, 226, 214, 215, 216,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    4.40    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 189, 190, 280, 281,
 igr2= 224, 225, 226, 214, 215, 216,
 &end
#
#   80 SER  HN            0 AMB  20-1:923    6.00    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 214, 215, 216, 224, 225, 226,
 &end
#
#  102 ALA  HA          103 ASP  HA          6.00    (#    924:20  Unique         4.77, 4.86 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  104 VAL  HA          103 ASP  HA          6.00    (#    925:20  Unique         4.66, 4.74 A)
 &rst
  ixpk= 925, nxpk= 20, iat= 576, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 PRO  HD+          95 SER  HB-         4.40    (#    926:20  Unique         2.27, 5.09 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 539, 540,
 igr2= 443, 444,
 &end
#
#   86 TRP  HN           85 GLU  HG+         4.40    (#    927:20  Unique         3.52, 4.49 A)
 &rst
  ixpk= 927, nxpk= 20, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 280, 281,
 &end
#
#   94 VAL  MGY          94 VAL  HA          3.50    (#    928:20  Unique         2.31, 3.52 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#   95 SER  HB-          94 VAL  HA          4.40    (#    929:20  Unique         4.42, 4.87 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 443, 444,
 &end
#
#    0 AMB  20-2:930     94 VAL  HA          4.40    (#    930:20  Single Ambig)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 443, 444, 324,
 &end
#
#   95 SER  HA           94 VAL  HA          4.40    (#    931:20  Unique         4.27, 4.40 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 441, 425, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   84 ARG  HA           94 VAL  HA          6.00    (#    932:20  Unique         5.74, 5.90 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 251, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TRP  HZ2          86 TRP  HH2         3.50    (#    933:20  Unique         2.48, 2.49 A)
 &rst
  ixpk= 933, nxpk= 20, iat= 301, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 TRP  HZ3          86 TRP  HH2         3.50    (#    934:20  Unique         2.48, 2.49 A)
 &rst
  ixpk= 934, nxpk= 20, iat= 305, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  MB           86 TRP  HH2         4.40    (#    935:20  Unique         2.20, 3.12 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 625, 626, 627,
 &end
#
#   86 TRP  HB-          86 TRP  HD1         6.00    (#    936:20  Unique         2.62, 3.23 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 292, 293,
 &end
#
#   86 TRP  HB+          86 TRP  HD1         6.00    (#    937:20  Unique         2.62, 3.23 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 292, 293,
 &end
#
#    0 AMB  20-2:938     94 VAL  MGX         4.40    (#    938:20  Single Ambig)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 324, 443, 444,
 igr2= 429, 430, 431, 433, 434, 435,
 &end
#
#   75 ILE  MG2          75 ILE  HG1-        3.50    (#    939:20  Unique         2.27, 3.48 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 118, 119, 120,
 igr2= 122, 123,
 &end
#
#   75 ILE  MG2          75 ILE  HG1+        2.60    (#    940:20  Unique         2.27, 3.48 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 118, 119, 120,
 igr2= 122, 123,
 &end
#
#   75 ILE  MG2          77 ARG  HB+         4.40    (#    942:20  Unique         2.58, 5.92 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 118, 119, 120,
 igr2= 147, 148,
 &end
#
#   94 VAL  MGY          84 ARG  HA          6.00    (#    943:20  Unique         2.26, 3.60 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#   84 ARG  HD+          81 ALA  HA          6.00    (#    944:20  Unique         2.21, 4.48 A)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 259, 260,
 &end
#
#   76 ASP  HN           75 ILE  HG1-        6.00    (#    945:20  Unique         2.58, 4.77 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   76 ASP  HN           75 ILE  HG1+        6.00    (#    946:20  Unique         2.58, 4.77 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   83 ILE  HG1+         83 ILE  MD1         3.50    (#    947:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 240, 241,
 igr2= 243, 244, 245,
 &end
#
#  116 HIS  HB+         116 HIS  HA          2.60    (#    948:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 760, 761,
 &end
#
#  116 HIS  HD2         116 HIS  HA          6.00    (#    949:20  Unique         2.40, 3.79 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 770, 758, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:950     79 GLN  HA          6.00    (#    950:20  Single Ambig)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 230, 210,
 &end
#
#  113 LEU  HB+         113 LEU  HA          3.50    (#    951:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 708, 709,
 &end
#
#  113 LEU  HN          112 THR  HA          4.40    (#    952:20  Unique         3.43, 3.58 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 704, 692, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  20-2:953      0 AMB  20-1:953    6.00    (#    953:20  Double Ambig)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 133, 740,
 igr2= 147, 148, 727, 728,
 &end
#
#   86 TRP  HA           86 TRP  HD1         6.00    (#    954:20  Unique         3.08, 3.19 A)
 &rst
  ixpk= 954, nxpk= 20, iat= 290, 296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TRP  HE1          86 TRP  HD1         4.40    (#    955:20  Unique         2.56, 2.57 A)
 &rst
  ixpk= 955, nxpk= 20, iat= 298, 296, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  108 TYR  HE          108 TYR  HD          3.50    (#    956:20  Unique         2.48, 3.74 A)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 641, 646,
 igr2= 639, 648,
 &end
#
#   75 ILE  HA           74 ALA  HA          4.40    (#    957:20  Unique         4.36, 4.44 A)
 &rst
  ixpk= 957, nxpk= 20, iat= 114, 104, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:1      100 ILE  HN          2.80    (#      1:10  Single Ambig)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 497, 521,
 &end
#
#    0 AMB  10-2:2      100 ILE  HN          2.80    (#      2:10  Single Ambig)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 523, 499, 500,
 &end
#
#  101 PRO  HA          102 ALA  HN          2.80    (#      3:10  Unique         2.21, 2.23 A)
 &rst
  ixpk= 3, nxpk= 10, iat= 548, 552, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  102 ALA  HA          102 ALA  HN          4.20    (#      4:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 554, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  102 ALA  MB          102 ALA  HN          2.80    (#      5:10  Unique         2.38, 2.85 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 556, 557, 558,
 &end
#
#   92 HIS  HN           91 GLY  HN          4.20    (#      6:10  Unique         2.53, 2.69 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 391, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   90 ASN  HN           91 GLY  HN          4.20    (#      7:10  Unique         2.54, 2.60 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 370, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   91 GLY  HA+          91 GLY  HN          2.80    (#      8:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 386, 387,
 &end
#
#   91 GLY  HA-          91 GLY  HN          2.80    (#      9:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 386, 387,
 &end
#
#   76 ASP  HA           76 ASP  HN          4.20    (#     14:10  Unique         2.28, 2.94 A)
 &rst
  ixpk= 14, nxpk= 10, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   75 ILE  HA           76 ASP  HN          2.80    (#     15:10  Unique         2.12, 2.24 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 114, 131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 ASP  HB+          76 ASP  HN          6.00    (#     16:10  Unique         2.44, 2.83 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 135, 136,
 &end
#
#   76 ASP  HB-          76 ASP  HN          4.20    (#     17:10  Unique         2.44, 2.83 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 135, 136,
 &end
#
#   73 GLY  HA+          74 ALA  HN          4.20    (#     19:10  Unique         2.19, 2.88 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  97,  98,
 &end
#
#   74 ALA  MB           74 ALA  HN          4.20    (#     20:10  Unique         2.41, 3.18 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 106, 107, 108,
 &end
#
#  107 ALA  HA          107 ALA  HN          4.20    (#     21:10  Unique         2.74, 2.74 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 623, 621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  106 ASP  HB+         107 ALA  HN          2.80    (#     23:10  Unique         2.53, 3.24 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 613, 614,
 &end
#
#  107 ALA  MB          107 ALA  HN          2.80    (#     24:10  Unique         2.35, 2.83 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 625, 626, 627,
 &end
#
#   82 ALA  HN           81 ALA  HN          4.20    (#     25:10  Unique         2.32, 2.82 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:26      81 ALA  HN          4.20    (#     26:10  Single Ambig)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 212, 145,
 &end
#
#    0 AMB  10-2:27      81 ALA  HN          4.20    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 203, 204, 201,
 &end
#
#   81 ALA  MB           81 ALA  HN          2.80    (#     28:10  Unique         2.40, 2.85 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 214, 215, 216,
 &end
#
#  114 GLU  HN          113 LEU  HN          4.20    (#     29:10  Unique         2.10, 2.51 A)
 &rst
  ixpk= 29, nxpk= 10, iat= 723, 704, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:30     113 LEU  HN          4.20    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 706, 725,
 &end
#
#    0 AMB  10-2:31     113 LEU  HN          4.20    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 672, 692,
 &end
#
#  113 LEU  HB+         113 LEU  HN          2.80    (#     32:10  Unique         2.28, 2.68 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 708, 709,
 &end
#
#  113 LEU  HB-         113 LEU  HN          4.20    (#     33:10  Unique         2.28, 2.68 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 708, 709,
 &end
#
#   86 TRP  HN           87 ALA  HN          4.20    (#     34:10  Unique         2.78, 2.93 A)
 &rst
  ixpk= 34, nxpk= 10, iat= 288, 312, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   88 ARG  HN           87 ALA  HN          4.20    (#     35:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 35, nxpk= 10, iat= 322, 312, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:36      87 ALA  HN          4.20    (#     36:10  Single Ambig)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 292, 293, 314,
 &end
#
#  104 VAL  HA          104 VAL  HN          6.00    (#     37:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 37, nxpk= 10, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:38     104 VAL  HN          4.20    (#     38:10  Single Ambig)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 562, 552,
 &end
#
#    0 AMB  10-2:39     104 VAL  HN          2.80    (#     39:10  Single Ambig)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 578, 545, 546, 542, 543,
 &end
#
#  104 VAL  MGY         104 VAL  HN          2.80    (#     40:10  Unique         1.99, 3.86 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  107 ALA  HN          108 TYR  HN          4.20    (#     41:10  Unique         2.92, 2.95 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 621, 631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  108 TYR  HB+         108 TYR  HN          2.80    (#     42:10  Unique         2.22, 2.47 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 635, 636,
 &end
#
#  108 TYR  HB-         108 TYR  HN          2.80    (#     43:10  Unique         2.22, 2.47 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 635, 636,
 &end
#
#  108 TYR  HA          108 TYR  HN          4.20    (#     44:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 44, nxpk= 10, iat= 633, 631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  107 ALA  MB          108 TYR  HN          4.20    (#     45:10  Unique         2.51, 3.39 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 625, 626, 627,
 &end
#
#   93 ASN  HA           94 VAL  HN          2.80    (#     46:10  Unique         2.13, 2.18 A)
 &rst
  ixpk= 46, nxpk= 10, iat= 411, 423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   94 VAL  HA           94 VAL  HN          6.00    (#     47:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 47, nxpk= 10, iat= 425, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 VAL  MGX          94 VAL  HN          4.20    (#     48:10  Unique         2.62, 4.19 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  10-2:50      82 ALA  HN          4.20    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 222, 169,
 &end
#
#    0 AMB  10-2:51      82 ALA  HN          2.80    (#     51:10  Single Ambig)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 224, 225, 226, 214, 215, 216,
 &end
#
#  109 HIS  HN          110 ALA  HN          4.20    (#     52:10  Unique         2.80, 2.88 A)
 &rst
  ixpk= 52, nxpk= 10, iat= 652, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  111 ALA  HN          110 ALA  HN          4.20    (#     53:10  Unique         2.79, 2.85 A)
 &rst
  ixpk= 53, nxpk= 10, iat= 680, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  110 ALA  HA          110 ALA  HN          4.20    (#     54:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 54, nxpk= 10, iat= 672, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  109 HIS  HB+         110 ALA  HN          4.20    (#     55:10  Unique         2.72, 3.31 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 656, 657,
 &end
#
#  110 ALA  MB          110 ALA  HN          2.80    (#     56:10  Unique         2.42, 2.87 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 674, 675, 676,
 &end
#
#   76 ASP  HA            0 AMB  10-1:58     4.20    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 143, 167,
 &end
#
#    0 AMB  10-2:59       0 AMB  10-1:59     2.80    (#     59:10  Double Ambig)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 147, 148, 147, 148,
 igr2= 143, 167,
 &end
#
#   94 VAL  HA           95 SER  HN          2.80    (#     61:10  Unique         2.16, 2.26 A)
 &rst
  ixpk= 61, nxpk= 10, iat= 425, 439, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   95 SER  HB-          95 SER  HN          6.00    (#     62:10  Unique         2.39, 2.78 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 443, 444,
 &end
#
#    0 AMB  10-2:63      78 GLU  HN          4.20    (#     63:10  Single Ambig)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 169, 114,
 &end
#
#   78 GLU  HG+          78 GLU  HN          4.20    (#     64:10  Unique         2.14, 3.84 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 174, 175,
 &end
#
#   78 GLU  HB+          78 GLU  HN          2.80    (#     65:10  Unique         2.24, 2.73 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 171, 172,
 &end
#
#  106 ASP  HN          105 ILE  HN          4.20    (#     66:10  Unique         2.70, 2.80 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 609, 590, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  105 ILE  HA          105 ILE  HN          6.00    (#     67:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 67, nxpk= 10, iat= 592, 590, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:68     105 ILE  HN          4.20    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 578, 542, 543, 545, 546,
 &end
#
#  105 ILE  HB          105 ILE  HN          2.80    (#     69:10  Unique         2.30, 2.33 A)
 &rst
  ixpk= 69, nxpk= 10, iat= 594, 590, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  105 ILE  HG1-        105 ILE  HN          2.80    (#     70:10  Unique         2.42, 3.17 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 600, 601,
 &end
#
#    0 AMB  10-2:71     105 ILE  HN          2.80    (#     71:10  Single Ambig)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 603, 604, 605, 596, 597, 598,
 &end
#
#   79 GLN  HA           79 GLN  HN          4.20    (#     72:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 72, nxpk= 10, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:73      79 GLN  HN          2.80    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 171, 172, 186, 187,
 &end
#
#   87 ALA  HN           86 TRP  HN          4.20    (#     74:10  Unique         2.78, 2.93 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 312, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   86 TRP  HA           86 TRP  HN          4.20    (#     75:10  Unique         2.75, 2.77 A)
 &rst
  ixpk= 75, nxpk= 10, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   86 TRP  HB+          86 TRP  HN          2.80    (#     76:10  Unique         2.37, 2.47 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 292, 293,
 &end
#
#   86 TRP  HB-          86 TRP  HN          2.80    (#     77:10  Unique         2.37, 2.47 A)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 292, 293,
 &end
#
#   85 GLU  HB+          86 TRP  HN          4.20    (#     78:10  Unique         2.46, 3.23 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 277, 278,
 &end
#
#   98 GLY  HA+          99 ARG  HN          2.80    (#     80:10  Unique         2.21, 2.59 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 490, 491,
 &end
#
#   99 ARG  HB+          99 ARG  HN          2.80    (#     81:10  Unique         2.30, 2.91 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 499, 500,
 &end
#
#  113 LEU  HN          114 GLU  HN          4.20    (#     82:10  Unique         2.10, 2.51 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 704, 723, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:83     114 GLU  HN          2.80    (#     83:10  Single Ambig)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 725, 706,
 &end
#
#  114 GLU  HB+         114 GLU  HN          2.80    (#     84:10  Unique         2.19, 2.98 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 727, 728,
 &end
#
#   82 ALA  HN           83 ILE  HN          4.20    (#     85:10  Unique         2.65, 2.83 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 220, 230, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:86      83 ILE  HN          2.80    (#     86:10  Single Ambig)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 234, 224, 225, 226,
 &end
#
#   83 ILE  HG1-         83 ILE  HN          2.80    (#     87:10  Unique         2.20, 2.97 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 240, 241,
 &end
#
#    0 AMB  10-2:88      84 ARG  HN          2.80    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 230, 273,
 &end
#
#   84 ARG  HB-          84 ARG  HN          2.80    (#     89:10  Unique         2.27, 2.63 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 253, 254,
 &end
#
#   83 ILE  HB           84 ARG  HN          4.20    (#     90:10  Unique         2.61, 2.78 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 234, 249, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   74 ALA  HA           75 ILE  HN          2.80    (#     91:10  Unique         2.18, 2.39 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 104, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 ILE  HB           75 ILE  HN          4.20    (#     92:10  Unique         2.39, 2.67 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 116, 112, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  110 ALA  HN          111 ALA  HN          4.20    (#     93:10  Unique         2.79, 2.85 A)
 &rst
  ixpk= 93, nxpk= 10, iat= 670, 680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  112 THR  HN          111 ALA  HN          2.80    (#     94:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 690, 680, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  111 ALA  HA          111 ALA  HN          4.20    (#     95:10  Unique         2.74, 2.78 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 682, 680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:96     111 ALA  HN          2.80    (#     96:10  Single Ambig)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 684, 685, 686, 674, 675, 676,
 &end
#
#   85 GLU  HA           85 GLU  HN          2.80    (#     97:10  Unique         2.78, 2.79 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 275, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   85 GLU  HB+          85 GLU  HN          2.80    (#     98:10  Unique         2.19, 2.59 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 277, 278,
 &end
#
#   84 ARG  HB-          85 GLU  HN          4.20    (#     99:10  Unique         2.34, 3.14 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 253, 254,
 &end
#
#   85 GLU  HG+          85 GLU  HN          4.20    (#    100:10  Unique         2.29, 4.23 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 280, 281,
 &end
#
#    0 AMB  10-2:101    106 ASP  HN          6.00    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 652, 662,
 &end
#
#  107 ALA  HN          106 ASP  HN          4.20    (#    102:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 621, 609, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:103    106 ASP  HN          4.20    (#    103:10  Single Ambig)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 590, 574,
 &end
#
#  106 ASP  HA          106 ASP  HN          4.20    (#    104:10  Unique         2.78, 2.78 A)
 &rst
  ixpk= 104, nxpk= 10, iat= 611, 609, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  106 ASP  HB+         106 ASP  HN          2.80    (#    105:10  Unique         2.41, 2.50 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 613, 614,
 &end
#
#    0 AMB  10-2:106      0 AMB  10-1:106    4.20    (#    106:10  Double Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 723, 670,
 igr2= 738, 652,
 &end
#
#  109 HIS  HB+         109 HIS  HN          2.80    (#    107:10  Unique         2.27, 3.02 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 656, 657,
 &end
#
#  108 TYR  HB+         109 HIS  HN          4.20    (#    108:10  Unique         2.52, 3.29 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 635, 636,
 &end
#
#   92 HIS  HB-          92 HIS  HN          4.20    (#    111:10  Unique         2.36, 2.95 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 395, 396,
 &end
#
#   88 ARG  HN           89 ARG  HN          4.20    (#    112:10  Unique         2.63, 2.82 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 322, 346, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:113     89 ARG  HN          6.00    (#    113:10  Single Ambig)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 379, 380, 379, 380,
 &end
#
#   90 ASN  HN           89 ARG  HN          4.20    (#    114:10  Unique         2.60, 2.73 A)
 &rst
  ixpk= 114, nxpk= 10, iat= 370, 346, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:115     89 ARG  HN          4.20    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 348, 275,
 &end
#
#   88 ARG  HB+          89 ARG  HN          4.20    (#    116:10  Unique         2.50, 3.20 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 326, 327,
 &end
#
#    0 AMB  10-2:117     89 ARG  HN          2.80    (#    117:10  Single Ambig)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 350, 351, 353, 354,
 &end
#
#   87 ALA  HN           88 ARG  HN          4.20    (#    118:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 118, nxpk= 10, iat= 312, 322, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   89 ARG  HN           88 ARG  HN          4.20    (#    119:10  Unique         2.63, 2.82 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 346, 322, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   88 ARG  HA           88 ARG  HN          4.20    (#    120:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 324, 322, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   88 ARG  HB+          88 ARG  HN          2.80    (#    121:10  Unique         2.25, 2.55 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 326, 327,
 &end
#
#   88 ARG  HG-          88 ARG  HN          4.20    (#    122:10  Unique         2.45, 4.27 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 329, 330,
 &end
#
#   87 ALA  MB           88 ARG  HN          4.20    (#    123:10  Unique         2.56, 3.43 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 316, 317, 318,
 &end
#
#   89 ARG  HN           90 ASN  HN          4.20    (#    125:10  Unique         2.60, 2.73 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 346, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   91 GLY  HN           90 ASN  HN          4.20    (#    126:10  Unique         2.54, 2.60 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 384, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:127     90 ASN  HN          4.20    (#    127:10  Single Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 379, 380, 379, 380,
 &end
#
#   90 ASN  HB-          90 ASN  HN          4.20    (#    128:10  Unique         2.34, 3.02 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 374, 375,
 &end
#
#   79 GLN  HN           80 SER  HN          4.20    (#    129:10  Unique         2.39, 2.74 A)
 &rst
  ixpk= 129, nxpk= 10, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   81 ALA  HN           80 SER  HN          6.00    (#    130:10  Unique         2.42, 2.81 A)
 &rst
  ixpk= 130, nxpk= 10, iat= 210, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 GLN  HA           80 SER  HN          4.20    (#    132:10  Unique         3.43, 3.55 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:133     80 SER  HN          2.80    (#    133:10  Single Ambig)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 203, 204, 201,
 &end
#
#   80 SER  HB-          80 SER  HN          4.20    (#    134:10  Unique         2.37, 3.06 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 203, 204,
 &end
#
#    0 AMB  10-2:135     80 SER  HN          4.20    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 186, 187, 171, 172,
 &end
#
#    0 AMB  10-2:136    103 ASP  HN          2.80    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 574, 590,
 &end
#
#    0 AMB  10-2:137    103 ASP  HN          2.80    (#    137:10  Single Ambig)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 564, 548,
 &end
#
#  103 ASP  HB+         103 ASP  HN          4.20    (#    138:10  Unique         2.39, 2.62 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 566, 567,
 &end
#
#  103 ASP  HB-         103 ASP  HN          4.20    (#    139:10  Unique         2.39, 2.62 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 566, 567,
 &end
#
#  102 ALA  MB          103 ASP  HN          4.20    (#    140:10  Unique         2.84, 3.68 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 556, 557, 558,
 &end
#
#   86 TRP  HD1          86 TRP  HE1         2.80    (#    149:10  Unique         2.56, 2.57 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 296, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  111 ALA  MB           86 TRP  HE1         4.20    (#    150:10  Unique         2.33, 3.24 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 684, 685, 686,
 &end
#
#    0 AMB  10-2:153     71 GLY  HN          4.20    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  66,  67,  35,  36,
 &end
#
#   70 ARG  HA           71 GLY  HN          4.20    (#    154:10  Unique         2.08, 2.82 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  112 THR  MG2         112 THR  HN          6.00    (#    155:10  Unique         2.25, 3.33 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 696, 697, 698,
 &end
#
#    0 AMB  10-2:156    112 THR  HN          4.20    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 692, 672,
 &end
#
#    0 AMB  10-2:157    112 THR  HN          4.20    (#    157:10  Single Ambig)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 654, 694,
 &end
#
#    0 AMB  10-2:158    112 THR  HN          4.20    (#    158:10  Single Ambig)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 684, 685, 686, 708, 709,
 &end
#
#   97 ARG  HA           98 GLY  HN          6.00    (#    159:10  Unique         2.29, 3.03 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 466, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 GLY  HA+          98 GLY  HN          4.20    (#    160:10  Unique         2.29, 2.63 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 490, 491,
 &end
#
#  100 ILE  HG1+        100 ILE  HN          4.20    (#    161:10  Unique         2.24, 3.07 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 529, 530,
 &end
#
#    0 AMB  10-2:162    102 ALA  HN          6.00    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546, 542, 543,
 &end
#
#  101 PRO  HB+         102 ALA  HN          6.00    (#    163:10  Unique         3.07, 3.60 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 545, 546,
 &end
#
#   90 ASN  HA           91 GLY  HN          4.20    (#    165:10  Unique         3.18, 3.30 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 372, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  116 HIS  HA          117 HIS  HN          4.20    (#    167:10  Unique         2.65, 3.14 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   88 ARG  HA           91 GLY  HN          6.00    (#    168:10  Unique         3.40, 3.56 A)
 &rst
  ixpk= 168, nxpk= 10, iat= 324, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 ARG  HD+          84 ARG  HE          6.00    (#    169:10  Unique         2.33, 2.81 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 259, 260,
 &end
#
#   84 ARG  HD-          84 ARG  HE          6.00    (#    170:10  Unique         2.33, 2.81 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 259, 260,
 &end
#
#   78 GLU  HB+          76 ASP  HN          4.20    (#    172:10  Unique         3.92, 4.83 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 171, 172,
 &end
#
#   75 ILE  HB           76 ASP  HN          4.20    (#    173:10  Unique         3.89, 4.15 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 116, 131, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   75 ILE  MG2          76 ASP  HN          6.00    (#    174:10  Unique         2.44, 3.52 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   74 ALA  HA           74 ALA  HN          6.00    (#    175:10  Unique         2.27, 2.90 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 104, 102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:179    107 ALA  HN          4.20    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 611, 564,
 &end
#
#  104 VAL  HA          107 ALA  HN          4.20    (#    180:10  Unique         3.02, 3.10 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 576, 621, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   80 SER  HN           81 ALA  HN          4.20    (#    181:10  Unique         2.42, 2.81 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   78 GLU  HA           81 ALA  HN          6.00    (#    182:10  Unique         2.94, 3.85 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 169, 210, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TRP  HE3          87 ALA  HN          6.00    (#    184:10  Unique         2.64, 2.74 A)
 &rst
  ixpk= 184, nxpk= 10, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TRP  HB+          87 ALA  HN          4.20    (#    185:10  Unique         2.52, 3.26 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 292, 293,
 &end
#
#   84 ARG  HA           87 ALA  HN          6.00    (#    186:10  Unique         3.40, 3.55 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 251, 312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TRP  HA           87 ALA  HN          6.00    (#    187:10  Unique         3.59, 3.61 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 290, 312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 ALA  MB           87 ALA  HN          2.80    (#    188:10  Unique         2.40, 2.84 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 316, 317, 318,
 &end
#
#    0 AMB  10-2:189    113 LEU  HN          4.20    (#    189:10  Single Ambig)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 654, 694,
 &end
#
#    0 AMB  10-2:190    113 LEU  HN          4.20    (#    190:10  Single Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719, 696, 697, 698,
 &end
#
#  104 VAL  MGX         104 VAL  HN          4.20    (#    191:10  Unique         1.99, 3.86 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  101 PRO  HB+         104 VAL  HN          6.00    (#    192:10  Unique         2.51, 3.70 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 545, 546,
 &end
#
#  103 ASP  HB-         104 VAL  HN          6.00    (#    193:10  Unique         2.60, 3.41 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 567,
 &end
#
#  103 ASP  HB+         104 VAL  HN          6.00    (#    194:10  Unique         2.60, 3.41 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 567,
 &end
#
#  102 ALA  HA          104 VAL  HN          6.00    (#    195:10  Unique         4.02, 4.10 A)
 &rst
  ixpk= 195, nxpk= 10, iat= 554, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:196    104 VAL  HN          6.00    (#    196:10  Single Ambig)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 564, 548,
 &end
#
#    0 AMB  10-2:197    104 VAL  HN          6.00    (#    197:10  Single Ambig)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 609, 631,
 &end
#
#   86 TRP  HZ3         108 TYR  HN          6.00    (#    198:10  Unique         3.13, 3.55 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 305, 631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 TYR  HD          108 TYR  HN          6.00    (#    199:10  Unique         4.34, 4.68 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 639, 648,
 &end
#
#  107 ALA  HA          108 TYR  HN          6.00    (#    200:10  Unique         3.59, 3.59 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 623, 631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 ILE  HA          108 TYR  HN          4.20    (#    201:10  Unique         3.37, 3.48 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 592, 631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:202    108 TYR  HN          6.00    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 576, 292, 293,
 &end
#
#  104 VAL  MGX         108 TYR  HN          6.00    (#    203:10  Unique         4.02, 5.77 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#    0 AMB  10-2:204    108 TYR  HN          6.00    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 684, 685, 686, 674, 675, 676,
 &end
#
#   93 ASN  HB+          94 VAL  HN          6.00    (#    206:10  Unique         2.96, 4.18 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 413, 414,
 &end
#
#   94 VAL  HB           94 VAL  HN          4.20    (#    207:10  Unique         3.34, 3.45 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 427, 423, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:208     82 ALA  HN          6.00    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 171, 172, 186, 187, 277, 278,
 &end
#
#   81 ALA  HA           82 ALA  HN          4.20    (#    210:10  Unique         3.57, 3.60 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 212, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:211     82 ALA  HN          2.80    (#    211:10  Single Ambig)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 210, 230,
 &end
#
#  107 ALA  HA          110 ALA  HN          4.20    (#    212:10  Unique         3.40, 3.51 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 623, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 ASP  HB+          77 ARG  HN          4.20    (#    213:10  Unique         2.12, 3.57 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 135, 136,
 &end
#
#   76 ASP  HB-          77 ARG  HN          4.20    (#    214:10  Unique         2.12, 3.57 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 135, 136,
 &end
#
#    0 AMB  10-2:215      0 AMB  10-1:215    4.20    (#    215:10  Double Ambig)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 150, 151, 150, 151,
 igr2= 143, 167,
 &end
#
#   77 ARG  HG-           0 AMB  10-1:216    4.20    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 150, 151,
 igr2= 143, 167,
 &end
#
#   95 SER  HB+          95 SER  HN          4.20    (#    217:10  Unique         2.39, 2.78 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 443, 444,
 &end
#
#   95 SER  HA           95 SER  HN          4.20    (#    218:10  Unique         2.80, 2.90 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 441, 439, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   94 VAL  HB           95 SER  HN          4.20    (#    219:10  Unique         2.83, 3.98 A)
 &rst
  ixpk= 219, nxpk= 10, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   94 VAL  MGY          95 SER  HN          4.20    (#    220:10  Unique         2.31, 3.98 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  10-2:221     79 GLN  HN          4.20    (#    221:10  Single Ambig)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 189, 190, 174, 175,
 &end
#
#   79 GLN  HG+          79 GLN  HN          4.20    (#    222:10  Unique         2.17, 3.01 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 189, 190,
 &end
#
#   80 SER  HN           79 GLN  HN          4.20    (#    224:10  Unique         2.39, 2.74 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 199, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:225     86 TRP  HN          4.20    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 280, 281, 635, 636,
 &end
#
#   87 ALA  MB           86 TRP  HN          6.00    (#    226:10  Unique         4.83, 5.60 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 316, 317, 318,
 &end
#
#    0 AMB  10-2:227     86 TRP  HN          4.20    (#    227:10  Single Ambig)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 232, 356, 357,
 &end
#
#   84 ARG  HA           86 TRP  HN          6.00    (#    228:10  Unique         4.67, 4.76 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 251, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 GLU  HA           86 TRP  HN          4.20    (#    229:10  Unique         3.57, 3.63 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 275, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  108 TYR  HE           86 TRP  HN          6.00    (#    230:10  Unique         4.17, 6.78 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 641, 646,
 &end
#
#   86 TRP  HE3          86 TRP  HN          6.00    (#    231:10  Unique         4.58, 4.67 A)
 &rst
  ixpk= 231, nxpk= 10, iat= 307, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:232    105 ILE  HN          6.00    (#    232:10  Single Ambig)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 564, 611, 548,
 &end
#
#  102 ALA  HA          105 ILE  HN          4.20    (#    233:10  Unique         3.07, 3.12 A)
 &rst
  ixpk= 233, nxpk= 10, iat= 554, 590, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  104 VAL  HA          105 ILE  HN          6.00    (#    234:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 234, nxpk= 10, iat= 576, 590, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:235    105 ILE  HN          2.80    (#    235:10  Single Ambig)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 600, 601, 580, 581, 582, 584, 585, 586,
 &end
#
#   99 ARG  HA           99 ARG  HN          4.20    (#    236:10  Unique         2.28, 2.88 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 497, 495, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   99 ARG  HG+          99 ARG  HN          4.20    (#    237:10  Unique         2.36, 3.53 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 502, 503,
 &end
#
#  114 GLU  HG+         114 GLU  HN          6.00    (#    239:10  Unique         2.33, 3.76 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 730, 731,
 &end
#
#  114 GLU  HG-         114 GLU  HN          6.00    (#    240:10  Unique         2.33, 3.76 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 730, 731,
 &end
#
#  113 LEU  HB-         114 GLU  HN          4.20    (#    241:10  Unique         2.43, 3.31 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 708, 709,
 &end
#
#  113 LEU  HB+         114 GLU  HN          4.20    (#    242:10  Unique         2.43, 3.31 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 708, 709,
 &end
#
#   83 ILE  MD1          83 ILE  HN          4.20    (#    244:10  Unique         3.53, 4.37 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 243, 244, 245,
 &end
#
#   83 ILE  HG1+         83 ILE  HN          4.20    (#    245:10  Unique         2.20, 2.97 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 240, 241,
 &end
#
#   83 ILE  HA           83 ILE  HN          4.20    (#    246:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 232, 230, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:247     83 ILE  HN          6.00    (#    247:10  Single Ambig)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 201, 203, 204,
 &end
#
#   82 ALA  HA           83 ILE  HN          4.20    (#    248:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 222, 230, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   84 ARG  HA           84 ARG  HN          4.20    (#    249:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 251, 249, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   83 ILE  HA           84 ARG  HN          6.00    (#    250:10  Unique         3.55, 3.59 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ALA  HA           84 ARG  HN          6.00    (#    251:10  Unique         3.08, 3.46 A)
 &rst
  ixpk= 251, nxpk= 10, iat= 212, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 ARG  HG+          84 ARG  HN          6.00    (#    252:10  Unique         2.19, 4.17 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 256, 257,
 &end
#
#   83 ILE  MG2          84 ARG  HN          6.00    (#    253:10  Unique         3.50, 4.36 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 236, 237, 238,
 &end
#
#    0 AMB  10-2:254     84 ARG  HN          6.00    (#    254:10  Single Ambig)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 429, 430, 431, 433, 434, 435, 525, 526, 527,
 &end
#
#    0 AMB  10-2:255     84 ARG  HN          6.00    (#    255:10  Single Ambig)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 532, 533, 534, 529, 530,
 &end
#
#   75 ILE  HG1-         75 ILE  HN          4.20    (#    256:10  Unique         2.14, 3.50 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 122, 123,
 &end
#
#   74 ALA  MB           75 ILE  HN          6.00    (#    257:10  Unique         2.46, 3.82 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 106, 107, 108,
 &end
#
#   75 ILE  HG1+         75 ILE  HN          4.20    (#    258:10  Unique         2.14, 3.50 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 122, 123,
 &end
#
#   75 ILE  MG2          75 ILE  HN          6.00    (#    259:10  Unique         2.53, 4.52 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   75 ILE  HA           75 ILE  HN          4.20    (#    260:10  Unique         2.25, 2.91 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:261    111 ALA  HN          6.00    (#    261:10  Single Ambig)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 672, 692,
 &end
#
#  108 TYR  HA          111 ALA  HN          6.00    (#    262:10  Unique         3.39, 3.55 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 633, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:263     85 GLU  HN          4.20    (#    263:10  Single Ambig)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 214, 215, 216, 234, 224, 225, 226,
 &end
#
#   84 ARG  HA           85 GLU  HN          6.00    (#    264:10  Unique         3.59, 3.61 A)
 &rst
  ixpk= 264, nxpk= 10, iat= 251, 273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 TYR  HD          109 HIS  HN          6.00    (#    265:10  Unique         2.83, 4.25 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 639, 648,
 &end
#
#  106 ASP  HA          109 HIS  HN          6.00    (#    266:10  Unique         3.34, 3.40 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 611, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 HIS  HA          109 HIS  HN          4.20    (#    267:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 267, nxpk= 10, iat= 654, 652, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  102 ALA  HA          106 ASP  HN          6.00    (#    268:10  Unique         3.68, 3.79 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 554, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 ILE  HA          106 ASP  HN          6.00    (#    269:10  Unique         3.61, 3.62 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 592, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 TYR  HB-         109 HIS  HN          6.00    (#    270:10  Unique         2.52, 3.29 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 635, 636,
 &end
#
#  108 TYR  HA          109 HIS  HN          6.00    (#    271:10  Unique         3.62, 3.63 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 633, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:272    109 HIS  HN          6.00    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 674, 675, 676, 684, 685, 686, 708, 709,
 &end
#
#    0 AMB  10-2:273    106 ASP  HN          4.20    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 596, 597, 598, 603, 604, 605,
 &end
#
#    0 AMB  10-2:274      0 AMB  10-1:274    6.00    (#    274:10  Double Ambig)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 596, 597, 598, 713, 714, 715, 717, 718, 719,
 igr2= 652, 738,
 &end
#
#  105 ILE  HB          106 ASP  HN          4.20    (#    275:10  Unique         2.61, 2.63 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  114 GLU  HA          115 HIS  HN          4.20    (#    276:10  Unique         2.07, 2.70 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 725, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  115 HIS  HB-         115 HIS  HN          6.00    (#    277:10  Unique         2.15, 2.97 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 742, 743,
 &end
#
#  115 HIS  HA          115 HIS  HN          6.00    (#    278:10  Unique         2.21, 2.73 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 740, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 HIS  HB+          92 HIS  HN          4.20    (#    279:10  Unique         2.36, 2.95 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 395, 396,
 &end
#
#   91 GLY  HA-          92 HIS  HN          6.00    (#    280:10  Unique         3.04, 3.30 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 386, 387,
 &end
#
#   91 GLY  HA+          92 HIS  HN          6.00    (#    281:10  Unique         3.04, 3.30 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 386, 387,
 &end
#
#   88 ARG  HA           92 HIS  HN          6.00    (#    282:10  Unique         3.71, 4.03 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 324, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 HIS  HA           92 HIS  HN          4.20    (#    283:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   87 ALA  HA           92 HIS  HN          6.00    (#    285:10  Unique         3.08, 3.45 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 314, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 GLY  HN           92 HIS  HN          4.20    (#    286:10  Unique         2.53, 2.69 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:287     92 HIS  HN          6.00    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 405, 379, 380,
 &end
#
#   89 ARG  HD+          89 ARG  HN          6.00    (#    288:10  Unique         2.91, 4.35 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 356, 357,
 &end
#
#   86 TRP  HA           89 ARG  HN          4.20    (#    289:10  Unique         3.51, 3.61 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 290, 346, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   89 ARG  HG-          89 ARG  HN          4.20    (#    290:10  Unique         2.41, 3.21 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 353, 354,
 &end
#
#    0 AMB  10-2:291     88 ARG  HN          6.00    (#    291:10  Single Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 314, 292, 293,
 &end
#
#    0 AMB  10-2:292     88 ARG  HN          6.00    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 251, 386, 387,
 &end
#
#   95 SER  HA           96 THR  HN          4.20    (#    293:10  Unique         2.19, 2.32 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 441, 450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:294     96 THR  HN          6.00    (#    294:10  Single Ambig)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 452, 443, 444,
 &end
#
#   96 THR  MG2          96 THR  HN          6.00    (#    295:10  Unique         2.38, 3.37 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 456, 457, 458,
 &end
#
#   89 ARG  HB+          90 ASN  HN          4.20    (#    296:10  Unique         2.73, 3.37 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 350, 351,
 &end
#
#   90 ASN  HB+          90 ASN  HN          4.20    (#    297:10  Unique         2.34, 3.02 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 374, 375,
 &end
#
#   87 ALA  HA           90 ASN  HN          6.00    (#    298:10  Unique         3.27, 3.47 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 314, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 ARG  HA           90 ASN  HN          4.20    (#    299:10  Unique         3.43, 3.52 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 348, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   90 ASN  HA           90 ASN  HN          4.20    (#    300:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 300, nxpk= 10, iat= 372, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   92 HIS  HN           90 ASN  HN          6.00    (#    301:10  Unique         3.62, 3.79 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 391, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 ARG  HN           90 ASN  HN          6.00    (#    302:10  Unique         3.97, 4.17 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 322, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ASN  HB-           0 AMB  10-1:303    4.20    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 374, 375,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:304      0 AMB  10-1:304    4.20    (#    304:10  Double Ambig)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 350, 351, 350, 351,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:305      0 AMB  10-1:305    4.20    (#    305:10  Double Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 350, 351, 350, 351,
 igr2= 379, 380, 379, 380,
 &end
#
#   90 ASN  HB-           0 AMB  10-1:306    4.20    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 374, 375,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:307      0 AMB  10-1:307    6.00    (#    307:10  Double Ambig)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 374, 375, 374, 375,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:308      0 AMB  10-1:308    6.00    (#    308:10  Double Ambig)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 374, 375, 374, 375,
 igr2= 379, 380, 379, 380,
 &end
#
#   86 TRP  HA            0 AMB  10-1:309    6.00    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 379, 380, 379, 380,
 &end
#
#   86 TRP  HA            0 AMB  10-1:310    6.00    (#    310:10  Single Ambig)
 &rst
  ixpk= 310, nxpk= 10, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:311      0 AMB  10-1:311    4.20    (#    311:10  Double Ambig)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 370, 301,
 igr2= 379, 380, 379, 380, 379, 380,
 &end
#
#   86 TRP  HZ2           0 AMB  10-1:312    4.20    (#    312:10  Single Ambig)
 &rst
  ixpk= 312, nxpk= 10, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 379, 380, 379, 380,
 &end
#
#    0 AMB  10-2:313     80 SER  HN          8.00    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 145, 212,
 &end
#
#    0 AMB  10-2:314     80 SER  HN          6.00    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 174, 175, 189, 190,
 &end
#
#    0 AMB  10-2:315     80 SER  HN          6.00    (#    315:10  Single Ambig)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 214, 215, 216, 234, 224, 225, 226,
 &end
#
#   75 ILE  MG2          80 SER  HN          6.00    (#    316:10  Unique         2.48, 5.34 A)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#  102 ALA  HA          103 ASP  HN          6.00    (#    317:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 554, 562, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:318    103 ASP  HN          4.20    (#    318:10  Single Ambig)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 545, 546, 542, 543,
 &end
#
#  101 PRO  HB+         103 ASP  HN          6.00    (#    319:10  Unique         2.83, 3.51 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 545, 546,
 &end
#
#    0 AMB  10-2:320    103 ASP  HN          6.00    (#    320:10  Single Ambig)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 580, 581, 582, 584, 585, 586, 600, 601,
 &end
#
#   93 ASN  HB+          93 ASN  HD2+        6.00    (#    321:10  Unique         2.26, 3.16 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 413, 414,
 igr2= 418, 419,
 &end
#
#   93 ASN  HB-          93 ASN  HD2+        6.00    (#    322:10  Unique         2.26, 3.16 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 413, 414,
 igr2= 418, 419,
 &end
#
#   79 GLN  HG+          79 GLN  HE2+        6.00    (#    326:10  Unique         2.31, 3.31 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 189, 190,
 igr2= 194, 195,
 &end
#
#   79 GLN  HG-          79 GLN  HE2+        6.00    (#    327:10  Unique         2.31, 3.31 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 189, 190,
 igr2= 194, 195,
 &end
#
#    0 AMB  10-2:328      0 AMB  10-1:328    6.00    (#    328:10  Double Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 186, 187, 171, 172,
 igr2= 194, 195, 194, 195,
 &end
#
#    0 AMB  10-2:330     86 TRP  HE1         4.20    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 379, 380, 379, 380,
 &end
#
#  111 ALA  HA          112 THR  HN          4.20    (#    331:10  Unique         3.53, 3.59 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 682, 690, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   70 ARG  HA           72 ARG  HN          6.00    (#    334:10  Unique         3.53, 5.27 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  42,  71, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:335     72 ARG  HN          6.00    (#    335:10  Single Ambig)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  75,  76,  44,  45,
 &end
#
#   83 ILE  MG2          83 ILE  HN          6.00    (#    337:10  Unique         4.40, 4.58 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 236, 237, 238,
 &end
#
#   89 ARG  HG+          88 ARG  HN          6.00    (#    338:10  Unique         4.72, 5.74 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 354,
 &end
#
#   94 VAL  MGY          94 VAL  HN          6.00    (#    339:10  Unique         2.62, 4.19 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 429, 430, 431, 433, 434, 435,
 &end
#
#   96 THR  HB           96 THR  HN          6.00    (#    340:10  Unique         3.59, 3.64 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 454, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 ARG  HA           97 ARG  HN          6.00    (#    341:10  Unique         2.88, 2.99 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:342     97 ARG  HN          6.00    (#    342:10  Single Ambig)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 443, 444, 452,
 &end
#
#   97 ARG  HB-          97 ARG  HN          6.00    (#    343:10  Unique         2.41, 3.20 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#   97 ARG  HG+          97 ARG  HN          6.00    (#    344:10  Unique         2.33, 3.71 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 471, 472,
 &end
#
#   97 ARG  HB+          97 ARG  HN          6.00    (#    345:10  Unique         2.41, 3.20 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 468, 469,
 &end
#
#    0 AMB  10-2:346    100 ILE  HN          4.20    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 525, 526, 527, 429, 430, 431, 433, 434, 435,
 &end
#
#    0 AMB  10-2:347    105 ILE  HN          6.00    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 613, 614, 566, 567,
 &end
#
#    0 AMB  10-2:348    114 GLU  HN          6.00    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 713, 714, 715, 717, 718, 719, 713, 714, 715, 717,
       718, 719,
 &end
#
#   84 ARG  HN           83 ILE  HN          2.80    (#    349:10  Unique         2.52, 2.73 A)
 &rst
  ixpk= 349, nxpk= 10, iat= 249, 230, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:350    107 ALA  HN          2.80    (#    350:10  Single Ambig)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 609, 631,
 &end
#
#  112 THR  HN          110 ALA  HN          6.00    (#    351:10  Unique         4.24, 4.32 A)
 &rst
  ixpk= 351, nxpk= 10, iat= 690, 670, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 LEU  HG          113 LEU  HN          4.20    (#    352:10  Unique         2.24, 3.67 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 711, 704, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   86 TRP  HE1           0 AMB  10-1:356    6.00    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 379, 380, 379, 380,
 &end
#
#   86 TRP  HE1           0 AMB  10-1:357    6.00    (#    357:10  Single Ambig)
 &rst
  ixpk= 357, nxpk= 10, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 379, 380, 379, 380,
 &end
#
#   93 ASN  HB+          93 ASN  HD2-        6.00    (#    358:10  Unique         2.26, 3.16 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 413, 414,
 igr2= 418, 419,
 &end
#
#   93 ASN  HB-          93 ASN  HD2-        6.00    (#    359:10  Unique         2.26, 3.16 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 413, 414,
 igr2= 418, 419,
 &end
#
#   84 ARG  HB+          84 ARG  HN          2.80    (#    360:10  Unique         2.27, 2.63 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 253, 254,
 &end
#
#   78 GLU  HA           79 GLN  HN          4.20    (#    361:10  Unique         2.17, 3.35 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   84 ARG  HB+          85 GLU  HN          4.20    (#    362:10  Unique         2.34, 3.14 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 253, 254,
 &end
#
#  113 LEU  HG          114 GLU  HN          4.20    (#    363:10  Unique         3.34, 3.93 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 711, 723, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  109 HIS  HB+         114 GLU  HN          6.00    (#    364:10  Unique         5.99, 6.77 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 656, 657,
 &end
#
#    0 AMB  10-2:365    114 GLU  HN          6.00    (#    365:10  Single Ambig)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 694, 654,
 &end



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