*HEADER    DE NOVO PROTEIN                         18-APR-09   2KI0              
*TITLE     NMR STRUCTURE OF A DE NOVO DESIGNED BETA ALPHA BETA                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DS119;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS PREPARED BY INVITROGEN                
*SOURCE   4 PLASMID PGEX-4T-1. THE VECTOR WAS TRANSFORMED INTO E. COLI.          
*KEYWDS    BETA-ALPHA-BETA, DE NOVO PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.LIANG, H.CHEN, K.FAN, P.WEI, X.GUO, C.JIN, C.ZENG, C.TANG,          
*AUTHOR   2 L.LAI                                                                
*REVDAT   1   20-OCT-09 2KI0    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  N C HA2 HA3
 &rst iat=21,26,24,25, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=30,35,33,34, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=28,43,31,32, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=47,51,55,50, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=45,59,48,49, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=63,68,66,67, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=65,71,69,70, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=68,74,72,73, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=61,83,64,65, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=87,91,95,90, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=85,97,88,89, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=101,105,109,104, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=103,112,110,111, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=99,116,102,103, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,140,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=144,148,152,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=142,156,145,146, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=165,170,168,169, &end
#
#  chirality for residue 13 atoms:  CA CG2 OG1 HB
 &rst iat=174,178,182,177, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=172,184,175,176, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=196,190,194,195, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=193,187,191,192, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=190,186,188,189, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=186,198,197,193, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=202,207,205,206, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=204,210,208,209, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=200,213,203,204, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=219,225,223,224, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=215,228,218,219, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=232,237,235,236, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=234,239,243,238, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=230,247,233,234, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=251,256,254,255, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=253,259,257,258, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=259,265,263,264, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=256,262,260,261, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=249,269,252,253, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=273,278,276,277, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=275,281,279,280, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=271,291,274,275, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 20 atoms:  CB CD1 CD2 HG
 &rst iat=297,302,306,301, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=293,310,296,297, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=316,322,320,321, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=322,328,326,327, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=319,325,323,324, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=312,332,315,316, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=338,344,342,343, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=334,347,337,338, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=351,356,354,355, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=353,359,357,358, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=349,362,352,353, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=364,372,367,368, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=376,381,379,380, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=378,384,382,383, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=381,387,385,386, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=374,394,377,378, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=398,403,401,402, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=400,406,404,405, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=406,412,410,411, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=403,409,407,408, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=396,416,399,400, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=418,426,421,422, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=428,440,431,432, &end
#
#  chirality for residue 29 atoms:  CA CG2 CG1 HB
 &rst iat=444,448,452,447, &end
#
#  chirality for residue 29 atoms:  CB CD1 HG12 HG13
 &rst iat=446,455,453,454, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=465,471,469,470, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=468,474,472,473, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=461,483,464,465, &end
#
#  chirality for residue 31 atoms:  CA CG1 CG2 HB
 &rst iat=487,491,495,490, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=485,499,488,489, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=503,507,511,506, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=501,513,504,505, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=517,522,520,521, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=515,533,518,519, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=535,557,538,539, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=559,564,562,563, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=568,573,571,572, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=566,576,569,570, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=30,28,26,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=47,45,43,30, &end
#
#  trans-omega constraint for residue 6
 &rst iat=63,61,59,47, &end
#
#  trans-omega constraint for residue 7
 &rst iat=87,85,83,63, &end
#
#  trans-omega constraint for residue 8
 &rst iat=101,99,97,87, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,101, &end
#
#  trans-omega constraint for residue 10
 &rst iat=144,142,140,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=160,158,156,144, &end
#
#  trans-omega constraint for residue 12
 &rst iat=167,165,163,160, &end
#
#  trans-omega constraint for residue 13
 &rst iat=174,172,170,167, &end
#
#  trans-omega constraint for residue 14
 &rst iat=196,186,184,174, &end
#
#  trans-omega constraint for residue 15
 &rst iat=202,200,198,196, &end
#
#  trans-omega constraint for residue 16
 &rst iat=217,215,213,202, &end
#
#  trans-omega constraint for residue 17
 &rst iat=232,230,228,217, &end
#
#  trans-omega constraint for residue 18
 &rst iat=251,249,247,232, &end
#
#  trans-omega constraint for residue 19
 &rst iat=273,271,269,251, &end
#
#  trans-omega constraint for residue 20
 &rst iat=295,293,291,273, &end
#
#  trans-omega constraint for residue 21
 &rst iat=314,312,310,295, &end
#
#  trans-omega constraint for residue 22
 &rst iat=336,334,332,314, &end
#
#  trans-omega constraint for residue 23
 &rst iat=351,349,347,336, &end
#
#  trans-omega constraint for residue 24
 &rst iat=366,364,362,351, &end
#
#  trans-omega constraint for residue 25
 &rst iat=376,374,372,366, &end
#
#  trans-omega constraint for residue 26
 &rst iat=398,396,394,376, &end
#
#  trans-omega constraint for residue 27
 &rst iat=420,418,416,398, &end
#
#  trans-omega constraint for residue 28
 &rst iat=430,428,426,420, &end
#
#  trans-omega constraint for residue 29
 &rst iat=444,442,440,430, &end
#
#  trans-omega constraint for residue 30
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 31
 &rst iat=487,485,483,463, &end
#
#  trans-omega constraint for residue 32
 &rst iat=503,501,499,487, &end
#
#  trans-omega constraint for residue 33
 &rst iat=517,515,513,503, &end
#
#  trans-omega constraint for residue 34
 &rst iat=537,535,533,517, &end
#
#  trans-omega constraint for residue 35
 &rst iat=561,559,557,537, &end
#
#  trans-omega constraint for residue 36
 &rst iat=568,566,564,561, &end
#
#   34 TRP  HH2          34 TRP  HE1         5.20    (#      0:9   Unique)
 &rst
  ixpk= 0, nxpk= 9, iat= 551, 546, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   34 TRP  HD1          34 TRP  HE1         2.80    (#      1:9   Unique )
 &rst
  ixpk= 1, nxpk= 9, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HD1           9 TRP  HE1         2.80    (#      2:9   Unique         2.64, 2.64 A)
 &rst
  ixpk= 2, nxpk= 9, iat= 127, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HZ2           9 TRP  HE1         4.20    (#      3:9   Unique         2.85, 2.85 A)
 &rst
  ixpk= 3, nxpk= 9, iat= 132, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    7 THR  HA            8 ILE  HN          2.20    (#      4:9   Unique         2.15, 2.21 A)
 &rst
  ixpk= 4, nxpk= 9, iat=  88, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    8 ILE  HA            8 ILE  HN          5.20    (#      5:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 5, nxpk= 9, iat= 102, 100, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   30 ARG  HA           30 ARG  HN          4.20    (#      6:9   Unique         2.89, 2.91 A)
 &rst
  ixpk= 6, nxpk= 9, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HA           30 ARG  HN          2.80    (#      7:9   Unique         2.29, 2.34 A)
 &rst
  ixpk= 7, nxpk= 9, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ARG  HB-          30 ARG  HN          4.50    (#      8:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 8, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#   30 ARG  HB+          30 ARG  HN          3.50    (#      9:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 9, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#    8 ILE  QG2           8 ILE  HN          5.20    (#     10:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 10, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 106, 107, 108,
 &end
#
#    8 ILE  HB            8 ILE  HN          4.50    (#     11:9   Unique         3.76, 3.85 A)
 &rst
  ixpk= 11, nxpk= 9, iat= 104, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  MG2           8 ILE  HN          3.50    (#     12:9   Unique)
 &rst
  ixpk= 12, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  92,  93,  94,
 &end
#
#    8 ILE  QD1           8 ILE  HN          4.50    (#     13:9   Unique)
 &rst
  ixpk= 13, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 113, 114, 115,
 &end
#
#   10 VAL  HN            8 ILE  HN          5.60    (#     14:9   Unique)
 &rst
  ixpk= 14, nxpk= 9, iat= 143, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   34 TRP  HZ3          34 TRP  HN          5.20    (#     15:9   Unique         4.95, 5.09 A)
 &rst
  ixpk= 15, nxpk= 9, iat= 553, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:16        0 AMB  9-1:16      5.20    (#     16:9   Double Ambig)
 &rst
  ixpk= 16, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 138, 524, 532,
 igr2= 159, 536,
 &end
#
#   34 TRP  HE3          34 TRP  HN          5.20    (#     17:9   Unique         2.66, 2.81 A)
 &rst
  ixpk= 17, nxpk= 9, iat= 555, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HZ3           0 AMB  9-1:18      5.20    (#     18:9   Single Ambig)
 &rst
  ixpk= 18, nxpk= 9, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 536, 159,
 &end
#
#   11 GLY  HA+          11 GLY  HN          5.20    (#     19:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 19, nxpk= 9, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 161, 162,
 &end
#
#   33 PHE  HA           34 TRP  HN          2.20    (#     20:9   Unique         2.19, 2.20 A)
 &rst
  ixpk= 20, nxpk= 9, iat= 518, 536, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   10 VAL  HA           11 GLY  HN          2.20    (#     21:9   Unique         2.18, 2.22 A)
 &rst
  ixpk= 21, nxpk= 9, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   34 TRP  HA           34 TRP  HN          5.20    (#     22:9   Unique         2.92, 2.92 A)
 &rst
  ixpk= 22, nxpk= 9, iat= 538, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HA-          11 GLY  HN          4.20    (#     23:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 23, nxpk= 9, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 161, 162,
 &end
#
#   34 TRP  HB+          34 TRP  HN          4.50    (#     24:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 24, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:25       34 TRP  HN          4.20    (#     25:9   Single Ambig)
 &rst
  ixpk= 25, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 520, 521, 520, 521,
 &end
#
#   34 TRP  HB-          34 TRP  HN          5.20    (#     26:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 26, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   32 THR  MG2          34 TRP  HN          6.00    (#     27:9   Unique         4.26, 5.60 A)
 &rst
  ixpk= 27, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 508, 509, 510,
 &end
#
#    0 AMB  9-2:28        0 AMB  9-1:28      5.20    (#     28:9   Double Ambig)
 &rst
  ixpk= 28, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 179, 180, 181, 113, 114, 115,
 igr2= 159, 536,
 &end
#
#   10 VAL  MGX          34 TRP  HN          5.20    (#     29:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 29, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          34 TRP  HN          4.50    (#     30:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 30, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   22 GLU  HN           21 LYS  HN          5.20    (#     31:9   Unique         2.58, 2.73 A)
 &rst
  ixpk= 31, nxpk= 9, iat= 335, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   33 PHE  HD            0 AMB  9-1:32      2.20    (#     32:9   Single Ambig)
 &rst
  ixpk= 32, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 524, 532,
 igr2= 520, 521, 520, 521,
 &end
#
#    0 AMB  9-2:33       22 GLU  HN          4.20    (#     33:9   Single Ambig)
 &rst
  ixpk= 33, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 365, 294,
 &end
#
#   21 LYS  HN           22 GLU  HN          4.50    (#     34:9   Unique         2.58, 2.73 A)
 &rst
  ixpk= 34, nxpk= 9, iat= 313, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HN           13 THR  HN          5.20    (#     35:9   Unique         4.71, 4.96 A)
 &rst
  ixpk= 35, nxpk= 9, iat= 201, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   18 LYS  HN           16 GLU  HN          4.50    (#     36:9   Unique         3.96, 4.16 A)
 &rst
  ixpk= 36, nxpk= 9, iat= 250, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HD            0 AMB  9-1:37      3.50    (#     37:9   Single Ambig)
 &rst
  ixpk= 37, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 532,
 igr2= 516, 143,
 &end
#
#   11 GLY  HA+          12 GLY  HN          2.80    (#     38:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 38, nxpk= 9, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 161, 162,
 &end
#
#    7 THR  HA            6 ARG  HN          5.20    (#     39:9   Unique         4.61, 4.64 A)
 &rst
  ixpk= 39, nxpk= 9, iat=  88,  62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HN            0 AMB  9-1:40      4.20    (#     40:9   Single Ambig)
 &rst
  ixpk= 40, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 365, 294,
 &end
#
#   36 ASP  HN           35 GLY  HN          4.20    (#     41:9   Unique         2.47, 2.78 A)
 &rst
  ixpk= 41, nxpk= 9, iat= 567, 560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   28 ASN  HN           29 ILE  HN          3.50    (#     42:9   Unique         1.87, 2.20 A)
 &rst
  ixpk= 42, nxpk= 9, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HN           20 LEU  HN          4.20    (#     43:9   Unique         2.16, 2.21 A)
 &rst
  ixpk= 43, nxpk= 9, iat= 272, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   13 THR  HN           15 GLU  HN          5.20    (#     44:9   Unique         4.71, 4.96 A)
 &rst
  ixpk= 44, nxpk= 9, iat= 173, 201, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   35 GLY  HN           36 ASP  HN          4.20    (#     45:9   Unique         2.47, 2.78 A)
 &rst
  ixpk= 45, nxpk= 9, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HN           28 ASN  HN          3.50    (#     46:9   Unique         1.87, 2.20 A)
 &rst
  ixpk= 46, nxpk= 9, iat= 443, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HN           19 LYS  HN          4.20    (#     47:9   Unique         2.16, 2.21 A)
 &rst
  ixpk= 47, nxpk= 9, iat= 294, 272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   26 LYS  HN           27 ALA  HN          2.80    (#     48:9   Unique         2.74, 2.85 A)
 &rst
  ixpk= 48, nxpk= 9, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 ALA  HN           26 LYS  HN          3.50    (#     49:9   Unique         2.74, 2.85 A)
 &rst
  ixpk= 49, nxpk= 9, iat= 419, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LEU  HN           21 LYS  HN          5.60    (#     50:9   Unique         4.35, 5.05 A)
 &rst
  ixpk= 50, nxpk= 9, iat= 231, 313, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   23 GLU  HN           24 ALA  HN          3.50    (#     51:9   Unique)
 &rst
  ixpk= 51, nxpk= 9, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HN           24 ALA  HN          3.50    (#     52:9   Unique         2.66, 2.96 A)
 &rst
  ixpk= 52, nxpk= 9, iat= 375, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HN           26 LYS  HN          3.50    (#     53:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 53, nxpk= 9, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HN           26 LYS  HN          4.50    (#     54:9   Unique)
 &rst
  ixpk= 54, nxpk= 9, iat= 350, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 TRP  HE3           9 TRP  HN          5.60    (#     55:9   Unique)
 &rst
  ixpk= 55, nxpk= 9, iat= 138, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   18 LYS  HN           19 LYS  HN          3.50    (#     56:9   Unique         2.77, 3.01 A)
 &rst
  ixpk= 56, nxpk= 9, iat= 250, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LEU  HN           15 GLU  HN          4.20    (#     57:9   Unique         3.50, 3.79 A)
 &rst
  ixpk= 57, nxpk= 9, iat= 231, 201, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   21 LYS  HN           17 LEU  HN          5.60    (#     58:9   Unique         4.35, 5.05 A)
 &rst
  ixpk= 58, nxpk= 9, iat= 313, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   15 GLU  HN           17 LEU  HN          4.20    (#     59:9   Unique         3.50, 3.79 A)
 &rst
  ixpk= 59, nxpk= 9, iat= 201, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   19 LYS  HN           18 LYS  HN          3.50    (#     60:9   Unique         2.77, 3.01 A)
 &rst
  ixpk= 60, nxpk= 9, iat= 272, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN           18 LYS  HN          4.50    (#     61:9   Unique         3.96, 4.16 A)
 &rst
  ixpk= 61, nxpk= 9, iat= 216, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ALA  HN           23 GLU  HN          3.50    (#     62:9   Unique)
 &rst
  ixpk= 62, nxpk= 9, iat= 365, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 LYS  HN           23 GLU  HN          4.50    (#     63:9   Unique)
 &rst
  ixpk= 63, nxpk= 9, iat= 397, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 LYS  HN           25 LYS  HN          3.50    (#     64:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 64, nxpk= 9, iat= 397, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ALA  HN           25 LYS  HN          3.50    (#     65:9   Unique         2.66, 2.96 A)
 &rst
  ixpk= 65, nxpk= 9, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 TRP  HN            9 TRP  HE3         5.60    (#     66:9   Unique)
 &rst
  ixpk= 66, nxpk= 9, iat= 119, 138, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:67       33 PHE  HD          3.50    (#     67:9   Single Ambig)
 &rst
  ixpk= 67, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 516, 143,
 igr2= 524, 532,
 &end
#
#   34 TRP  HN           34 TRP  HZ3         5.20    (#     68:9   Unique         4.95, 5.09 A)
 &rst
  ixpk= 68, nxpk= 9, iat= 536, 553, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:69        0 AMB  9-1:69      5.20    (#     69:9   Double Ambig)
 &rst
  ixpk= 69, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 159, 536,
 igr2= 138, 524, 532,
 &end
#
#   34 TRP  HN           34 TRP  HE3         5.20    (#     70:9   Unique         2.66, 2.81 A)
 &rst
  ixpk= 70, nxpk= 9, iat= 536, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:71        9 TRP  HZ3         5.20    (#     71:9   Single Ambig)
 &rst
  ixpk= 71, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 536, 159,
 &end
#
#    9 TRP  HE1           9 TRP  HZ2         4.20    (#     72:9   Unique         2.85, 2.85 A)
 &rst
  ixpk= 72, nxpk= 9, iat= 129, 132, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HE1          34 TRP  HH2         5.20    (#     73:9   Unique)
 &rst
  ixpk= 73, nxpk= 9, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HE1          34 TRP  HD1         2.80    (#     74:9   Unique)
 &rst
  ixpk= 74, nxpk= 9, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HE1           9 TRP  HD1         2.80    (#     75:9   Unique         2.64, 2.64 A)
 &rst
  ixpk= 75, nxpk= 9, iat= 129, 127, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 GLY  HN           34 TRP  HD1         5.60    (#     76:9   Unique         3.56, 3.81 A)
 &rst
  ixpk= 76, nxpk= 9, iat= 560, 544, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HN            9 TRP  HD1         5.20    (#     77:9   Unique         3.85, 4.08 A)
 &rst
  ixpk= 77, nxpk= 9, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    4 GLN  HE2+          4 GLN  HE2-        2.20    (#     78:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HD2-         28 ASN  HD2+        2.20    (#     79:9   Unique )
#This appears to be self-referential: ignoring
#
#   34 TRP  HH2           9 TRP  HD1         5.20    (#     80:9   Unique         3.07, 3.48 A)
 &rst
  ixpk= 80, nxpk= 9, iat= 551, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HE3           9 TRP  HD1         5.60    (#     81:9   Unique         3.87, 4.26 A)
 &rst
  ixpk= 81, nxpk= 9, iat= 555, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HE3         5.60    (#     82:9   Unique         3.87, 4.26 A)
 &rst
  ixpk= 82, nxpk= 9, iat= 127, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HH2         5.20    (#     83:9   Unique         3.07, 3.48 A)
 &rst
  ixpk= 83, nxpk= 9, iat= 127, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HD2+         28 ASN  HD2-        2.20    (#     84:9   Unique  )
#This appears to be self-referential: ignoring
#
#    4 GLN  HE2-          4 GLN  HE2+        2.20    (#     85:9   Unique)
#This appears to be self-referential: ignoring
#
#   34 TRP  HZ3          34 TRP  HZ2         4.50    (#     86:9   Unique)
 &rst
  ixpk= 86, nxpk= 9, iat= 553, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:87        0 AMB  9-1:87      2.80    (#     87:9   Double Ambig)
 &rst
  ixpk= 87, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 136, 549,
 igr2= 138, 551,
 &end
#
#   34 TRP  HE3          34 TRP  HZ3         4.50    (#     88:9   Unique         2.49, 2.49 A)
 &rst
  ixpk= 88, nxpk= 9, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           33 PHE  HD          2.80    (#     89:9   Unique)
 &rst
  ixpk= 89, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 526, 530,
 igr2= 524, 532,
 &end
#
#    9 TRP  HH2           9 TRP  HZ2         3.50    (#     90:9   Unique         2.52, 2.52 A)
 &rst
  ixpk= 90, nxpk= 9, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 PHE  HZ           33 PHE  HE          2.80    (#     91:9   Unique         2.45, 2.45 A)
 &rst
  ixpk= 91, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 526, 530,
 &end
#
#   33 PHE  HE           33 PHE  HZ          2.80    (#     92:9   Unique         2.45, 2.45 A)
 &rst
  ixpk= 92, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 526, 530,
 &end
#
#    9 TRP  HZ2          34 TRP  HZ2         4.50    (#     93:9   Unique)
 &rst
  ixpk= 93, nxpk= 9, iat= 132, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TRP  HZ2          34 TRP  HZ3         4.50    (#     94:9   Unique )
 &rst
  ixpk= 94, nxpk= 9, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:95        0 AMB  9-1:95      2.80    (#     95:9   Double Ambig)
 &rst
  ixpk= 95, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 138, 551,
 igr2= 136, 549,
 &end
#
#    9 TRP  HZ2           9 TRP  HH2         2.80    (#     96:9   Unique         2.52, 2.52 A)
 &rst
  ixpk= 96, nxpk= 9, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 PHE  HD           33 PHE  HE          2.80    (#     97:9   Unique)
 &rst
  ixpk= 97, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 524, 532,
 igr2= 526, 530,
 &end
#
#    9 TRP  HA           10 VAL  HN          2.80    (#     98:9   Unique         2.26, 2.27 A)
 &rst
  ixpk= 98, nxpk= 9, iat= 121, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 VAL  HA           32 THR  HN          2.20    (#     99:9   Unique         2.18, 2.18 A)
 &rst
  ixpk= 99, nxpk= 9, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    6 ARG  HA            6 ARG  HN          5.20    (#    102:9   Unique         2.88, 2.89 A)
 &rst
  ixpk= 102, nxpk= 9, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HA           35 GLY  HN          3.50    (#    103:9   Unique         2.22, 2.27 A)
 &rst
  ixpk= 103, nxpk= 9, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            7 THR  HN          5.20    (#    104:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 104, nxpk= 9, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HA            9 TRP  HN          5.20    (#    105:9   Unique         2.93, 2.94 A)
 &rst
  ixpk= 105, nxpk= 9, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   31 VAL  HA           31 VAL  HN          4.50    (#    106:9   Unique         2.92, 2.93 A)
 &rst
  ixpk= 106, nxpk= 9, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 TRP  HA            9 TRP  HE3         5.20    (#    107:9   Unique)
 &rst
  ixpk= 107, nxpk= 9, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HE3          10 VAL  HA          5.20    (#    108:9   Unique)
 &rst
  ixpk= 108, nxpk= 9, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HA            9 TRP  HD1         5.20    (#    109:9   Unique         3.33, 3.48 A)
 &rst
  ixpk= 109, nxpk= 9, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   30 ARG  HA           31 VAL  HN          2.20    (#    110:9   Unique         2.23, 2.23 A)
 &rst
  ixpk= 110, nxpk= 9, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   25 LYS  HA           25 LYS  HN          3.50    (#    111:9   Unique         2.80, 2.85 A)
 &rst
  ixpk= 111, nxpk= 9, iat= 377, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASP  HA           36 ASP  HN          4.50    (#    112:9   Unique         2.17, 2.17 A)
 &rst
  ixpk= 112, nxpk= 9, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 ALA  HA           27 ALA  HN          4.50    (#    113:9   Unique         2.85, 2.91 A)
 &rst
  ixpk= 113, nxpk= 9, iat= 421, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASN  HA           28 ASN  HN          3.50    (#    114:9   Unique         2.20, 2.65 A)
 &rst
  ixpk= 114, nxpk= 9, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:115       0 AMB  9-1:115     2.80    (#    115:9   Double Ambig)
 &rst
  ixpk= 115, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  31, 562, 563,
 igr2=  46, 567,
 &end
#
#    4 GLN  HA            4 GLN  HN          4.50    (#    116:9   Unique         2.64, 2.87 A)
 &rst
  ixpk= 116, nxpk= 9, iat=  31,  29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LYS  HA           26 LYS  HN          5.20    (#    117:9   Unique         3.46, 3.50 A)
 &rst
  ixpk= 117, nxpk= 9, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HA           29 ILE  HN          4.20    (#    118:9   Unique         3.55, 3.60 A)
 &rst
  ixpk= 118, nxpk= 9, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   32 THR  HA           33 PHE  HN          2.20    (#    120:9   Unique         2.15, 2.16 A)
 &rst
  ixpk= 120, nxpk= 9, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   13 THR  HA           16 GLU  HN          4.50    (#    121:9   Unique         3.50, 3.82 A)
 &rst
  ixpk= 121, nxpk= 9, iat= 175, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 THR  HA           13 THR  HN          5.20    (#    122:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 122, nxpk= 9, iat= 175, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HA           24 ALA  HN          4.50    (#    123:9   Unique         3.71, 3.81 A)
 &rst
  ixpk= 123, nxpk= 9, iat= 337, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           26 LYS  HN          5.20    (#    124:9   Unique         3.27, 3.66 A)
 &rst
  ixpk= 124, nxpk= 9, iat= 337, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   23 GLU  HA           27 ALA  HN          3.50    (#    126:9   Unique         1.93, 3.28 A)
 &rst
  ixpk= 126, nxpk= 9, iat= 352, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLY  HA+           9 TRP  HZ3         5.60    (#    127:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 127, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 161, 162,
 &end
#
#   29 ILE  QG2          28 ASN  HN          5.60    (#    128:9   Unique         4.03, 5.19 A)
 &rst
  ixpk= 128, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 449, 450, 451,
 &end
#
#    0 AMB  9-2:130      23 GLU  HN          5.20    (#    130:9   Single Ambig)
 &rst
  ixpk= 130, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 274, 296,
 &end
#
#    0 AMB  9-2:131       0 AMB  9-1:131     2.80    (#    131:9   Double Ambig)
 &rst
  ixpk= 131, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 352, 252,
 igr2= 350, 250,
 &end
#
#   23 GLU  HA           25 LYS  HN          5.60    (#    132:9   Unique )
 &rst
  ixpk= 132, nxpk= 9, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   32 THR  HB           34 TRP  HH2         5.20    (#    133:9   Unique         2.70, 2.99 A)
 &rst
  ixpk= 133, nxpk= 9, iat= 506, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   32 THR  HB           34 TRP  HZ2         5.20    (#    134:9   Unique         4.48, 4.82 A)
 &rst
  ixpk= 134, nxpk= 9, iat= 506, 549, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HA-           9 TRP  HZ3         5.20    (#    135:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 135, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 161, 162,
 &end
#
#   17 LEU  HA           33 PHE  HZ          4.50    (#    136:9   Unique         3.46, 4.23 A)
 &rst
  ixpk= 136, nxpk= 9, iat= 233, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HA           33 PHE  HE          4.20    (#    137:9   Unique         3.33, 4.77 A)
 &rst
  ixpk= 137, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 526, 530,
 &end
#
#   17 LEU  HA           17 LEU  HN          4.20    (#    138:9   Unique         2.66, 2.69 A)
 &rst
  ixpk= 138, nxpk= 9, iat= 233, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   19 LYS  HA           19 LYS  HN          3.50    (#    139:9   Unique         2.90, 2.91 A)
 &rst
  ixpk= 139, nxpk= 9, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 GLU  HA           15 GLU  HN          2.80    (#    140:9   Unique         2.78, 2.83 A)
 &rst
  ixpk= 140, nxpk= 9, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  9-2:141       0 AMB  9-1:141     3.50    (#    141:9   Double Ambig)
 &rst
  ixpk= 141, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  48, 562, 563,
 igr2=  46, 567,
 &end
#
#    7 THR  HB            7 THR  HN          4.50    (#    142:9   Unique         2.13, 2.24 A)
 &rst
  ixpk= 142, nxpk= 9, iat=  90,  86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 LEU  HA           21 LYS  HN          5.20    (#    144:9   Unique         3.61, 3.63 A)
 &rst
  ixpk= 144, nxpk= 9, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   26 LYS  HA           26 LYS  HN          3.50    (#    145:9   Unique)
 &rst
  ixpk= 145, nxpk= 9, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:146       0 AMB  9-1:146     4.20    (#    146:9   Double Ambig)
 &rst
  ixpk= 146, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 315, 367,
 igr2= 313, 397,
 &end
#
#   24 ALA  HA           24 ALA  HN          4.20    (#    147:9   Unique         2.75, 2.80 A)
 &rst
  ixpk= 147, nxpk= 9, iat= 367, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HA           29 ILE  HN          4.50    (#    148:9   Unique         2.64, 2.66 A)
 &rst
  ixpk= 148, nxpk= 9, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ALA  HA           29 ILE  HN          4.50    (#    149:9   Unique         3.89, 4.30 A)
 &rst
  ixpk= 149, nxpk= 9, iat= 367, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:150       0 AMB  9-1:150     4.20    (#    150:9   Double Ambig)
 &rst
  ixpk= 150, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 337, 177,
 igr2= 335, 173,
 &end
#
#    0 AMB  9-2:151      16 GLU  HN          3.50    (#    151:9   Single Ambig)
 &rst
  ixpk= 151, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 218, 203,
 &end
#
#    0 AMB  9-2:152       0 AMB  9-1:152     4.20    (#    152:9   Double Ambig)
 &rst
  ixpk= 152, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 168, 169, 168, 169,
 igr2= 173, 166,
 &end
#
#   12 GLY  HA-           0 AMB  9-1:153     5.20    (#    153:9   Single Ambig)
 &rst
  ixpk= 153, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 168, 169,
 igr2= 173, 166,
 &end
#
#    5 VAL  HA            6 ARG  HN          2.20    (#    154:9   Unique         2.20, 2.23 A)
 &rst
  ixpk= 154, nxpk= 9, iat=  48,  62, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   32 THR  HB           32 THR  HN          4.20    (#    155:9   Unique         2.39, 2.49 A)
 &rst
  ixpk= 155, nxpk= 9, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   11 GLY  HA-          12 GLY  HN          4.20    (#    156:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 156, nxpk= 9, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 161, 162,
 &end
#
#   35 GLY  HA-          35 GLY  HN          3.50    (#    157:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 157, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 562, 563,
 &end
#
#   20 LEU  HA           20 LEU  HN          4.20    (#    158:9   Unique         2.66, 2.70 A)
 &rst
  ixpk= 158, nxpk= 9, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   17 LEU  HA           20 LEU  HN          5.20    (#    159:9   Unique         3.03, 3.36 A)
 &rst
  ixpk= 159, nxpk= 9, iat= 233, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:160       0 AMB  9-1:160     4.20    (#    160:9   Double Ambig)
 &rst
  ixpk= 160, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 407, 408, 407, 408, 449, 450, 451,
 igr2= 397,  29,
 &end
#
#   34 TRP  HB+          35 GLY  HN          5.20    (#    161:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 161, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   28 ASN  HB+          28 ASN  HN          5.60    (#    162:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 162, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 433, 434,
 &end
#
#   28 ASN  HB+          28 ASN  HD2+        5.60    (#    163:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 163, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#    0 AMB  9-2:164       6 ARG  HE          4.50    (#    164:9   Single Ambig)
 &rst
  ixpk= 164, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,  72,  73,
 &end
#
#   34 TRP  HB+          34 TRP  HZ3         5.20    (#    165:9   Unique         4.84, 5.58 A)
 &rst
  ixpk= 165, nxpk= 9, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:166      30 ARG  HE          5.20    (#    166:9   Single Ambig)
 &rst
  ixpk= 166, nxpk= 9, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:167       0 AMB  9-1:167     5.20    (#    167:9   Double Ambig)
 &rst
  ixpk= 167, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 540, 541, 540, 541,
 igr2= 555, 544,
 &end
#
#    0 AMB  9-2:168       0 AMB  9-1:168     5.20    (#    168:9   Double Ambig)
 &rst
  ixpk= 168, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 520, 521, 520, 521, 520, 521,
 igr2= 526, 530, 555,
 &end
#
#    0 AMB  9-2:169      33 PHE  HD          2.20    (#    169:9   Single Ambig)
 &rst
  ixpk= 169, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 520, 521, 520, 521,
 igr2= 524, 532,
 &end
#
#   34 TRP  HB-           0 AMB  9-1:170     4.50    (#    170:9   Single Ambig)
 &rst
  ixpk= 170, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 540, 541,
 igr2= 555, 544,
 &end
#
#   28 ASN  HB+          28 ASN  HD2-        5.60    (#    171:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 171, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   34 TRP  HZ3          34 TRP  HB-         6.00    (#    172:9   Unique)
 &rst
  ixpk= 172, nxpk= 9, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 540, 541,
 &end
#
#   28 ASN  HB-          28 ASN  HD2+        5.20    (#    173:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 173, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   23 GLU  HG+          23 GLU  HN          5.20    (#    174:9   Unique         1.94, 3.30 A)
 &rst
  ixpk= 174, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 357, 358,
 &end
#
#   28 ASN  HB-          28 ASN  HN          4.50    (#    175:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 175, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 433, 434,
 &end
#
#   34 TRP  HB-          36 ASP  HN          4.20    (#    176:9   Unique         2.24, 3.08 A)
 &rst
  ixpk= 176, nxpk= 9, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 540, 541,
 &end
#
#   34 TRP  HB-          35 GLY  HN          4.50    (#    177:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 177, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:178      33 PHE  HN          3.50    (#    178:9   Single Ambig)
 &rst
  ixpk= 178, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 520, 521, 520, 521,
 &end
#
#   16 GLU  HG-          16 GLU  HN          4.20    (#    179:9   Unique)
 &rst
  ixpk= 179, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 223, 224,
 &end
#
#   22 GLU  HG-          22 GLU  HN          4.20    (#    180:9   Unique)
 &rst
  ixpk= 180, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 342, 343,
 &end
#
#    4 GLN  HG+           4 GLN  HN          5.20    (#    181:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 181, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  36,  37,
 &end
#
#   15 GLU  HG+          15 GLU  HN          5.20    (#    182:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 182, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#   15 GLU  HG-          15 GLU  HN          5.20    (#    183:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 183, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#    0 AMB  9-2:184      23 GLU  HN          4.20    (#    184:9   Single Ambig)
 &rst
  ixpk= 184, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 357, 358, 342, 343,
 &end
#
#   15 GLU  HB-          17 LEU  HN          5.20    (#    185:9   Unique)
 &rst
  ixpk= 185, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 205, 206,
 &end
#
#    0 AMB  9-2:186       9 TRP  HE3         3.50    (#    186:9   Single Ambig)
 &rst
  ixpk= 186, nxpk= 9, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:187      34 TRP  HE3         5.60    (#    187:9   Single Ambig)
 &rst
  ixpk= 187, nxpk= 9, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:188      33 PHE  HZ          5.20    (#    188:9   Single Ambig)
 &rst
  ixpk= 188, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:189       9 TRP  HD1         4.20    (#    189:9   Single Ambig)
 &rst
  ixpk= 189, nxpk= 9, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:190      34 TRP  HZ3         5.20    (#    190:9   Single Ambig)
 &rst
  ixpk= 190, nxpk= 9, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 123, 124, 123, 124,
 &end
#
#   16 GLU  HG+          18 LYS  HN          5.20    (#    191:9   Unique         4.36, 4.87 A)
 &rst
  ixpk= 191, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 223, 224,
 &end
#
#    0 AMB  9-2:192      10 VAL  HN          4.50    (#    192:9   Single Ambig)
 &rst
  ixpk= 192, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:193      22 GLU  HN          4.50    (#    193:9   Single Ambig)
 &rst
  ixpk= 193, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 317, 318, 317, 318,
 &end
#
#   16 GLU  HG+          16 GLU  HN          4.20    (#    194:9   Unique         1.89, 2.97 A)
 &rst
  ixpk= 194, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 223, 224,
 &end
#
#   22 GLU  HB+          22 GLU  HN          2.80    (#    195:9   Unique         2.08, 2.53 A)
 &rst
  ixpk= 195, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 339, 340,
 &end
#
#    0 AMB  9-2:196      16 GLU  HN          3.50    (#    196:9   Single Ambig)
 &rst
  ixpk= 196, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 220, 221, 220, 221,
 &end
#
#    5 VAL  HB            6 ARG  HN          4.20    (#    197:9   Unique)
 &rst
  ixpk= 197, nxpk= 9, iat=  50,  62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  9-2:198       6 ARG  HN          4.50    (#    198:9   Single Ambig)
 &rst
  ixpk= 198, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67,  66,  67,
 &end
#
#   31 VAL  HB           32 THR  HN          3.50    (#    199:9   Unique         3.43, 3.52 A)
 &rst
  ixpk= 199, nxpk= 9, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HB           10 VAL  HN          5.20    (#    200:9   Unique         3.58, 3.64 A)
 &rst
  ixpk= 200, nxpk= 9, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:201      22 GLU  HN          5.60    (#    201:9   Double Ambig)
 &rst
  ixpk= 201, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 320, 321, 320, 321,
 &end
#
#    8 ILE  QG2          32 THR  HN          3.50    (#    202:9   Unique         3.66, 4.59 A)
 &rst
  ixpk= 202, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 106, 107, 108,
 &end
#
#   32 THR  MG2          33 PHE  HN          4.20    (#    203:9   Unique         2.58, 3.74 A)
 &rst
  ixpk= 203, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#   31 VAL  MGX          32 THR  HN          4.50    (#    204:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 204, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGX          10 VAL  HN          4.50    (#    205:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 205, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          10 VAL  HN          5.20    (#    206:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 206, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          32 THR  HN          5.20    (#    207:9   Unique         4.56, 6.21 A)
 &rst
  ixpk= 207, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDX          22 GLU  HN          6.00    (#    208:9   Unique         5.26, 6.54 A)
 &rst
  ixpk= 208, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:209       6 ARG  HN          4.20    (#    209:9   Double Ambig)
 &rst
  ixpk= 209, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 453, 454, 453, 454,
 &end
#
#   29 ILE  HB            6 ARG  HN          2.80    (#    210:9   Unique)
 &rst
  ixpk= 210, nxpk= 9, iat= 447,  62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  9-2:211      29 ILE  HN          5.20    (#    211:9   Single Ambig)
 &rst
  ixpk= 211, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 453, 454, 453, 454,
 &end
#
#    5 VAL  MGY          29 ILE  HN          5.20    (#    212:9   Unique         4.17, 6.55 A)
 &rst
  ixpk= 212, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   29 ILE  QD1          29 ILE  HN          5.20    (#    213:9   Unique         4.28, 4.49 A)
 &rst
  ixpk= 213, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#    0 AMB  9-2:214       0 AMB  9-1:214     4.20    (#    214:9   Double Ambig)
 &rst
  ixpk= 214, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 301, 323, 324, 323, 324,
 igr2= 294, 365,
 &end
#
#   27 ALA  MB           29 ILE  HN          5.20    (#    215:9   Unique         2.65, 3.72 A)
 &rst
  ixpk= 215, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 423, 424, 425,
 &end
#
#   29 ILE  QG2          29 ILE  HN          2.20    (#    216:9   Unique         2.27, 3.19 A)
 &rst
  ixpk= 216, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 449, 450, 451,
 &end
#
#   24 ALA  MB           24 ALA  HN          2.80    (#    217:9   Unique)
 &rst
  ixpk= 217, nxpk= 9, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:218      20 LEU  HN          2.80    (#    218:9   Single Ambig)
 &rst
  ixpk= 218, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 279, 280, 298, 299,
 &end
#
#   20 LEU  MDY          20 LEU  HN          4.50    (#    219:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 219, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          20 LEU  HN          5.20    (#    220:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 220, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          21 LYS  HN          5.60    (#    221:9   Unique         3.67, 5.24 A)
 &rst
  ixpk= 221, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   10 VAL  MGX           8 ILE  QD1         4.50    (#    222:9   Unique)
 &rst
  ixpk= 222, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:223       0 AMB  9-1:223     5.60    (#    223:9   Double Ambig)
 &rst
  ixpk= 223, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 igr2= 313, 397,
 &end
#
#   29 ILE  QD1          26 LYS  HN          5.20    (#    224:9   Unique         5.60, 6.50 A)
 &rst
  ixpk= 224, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#    0 AMB  9-2:225      21 LYS  HN          4.20    (#    225:9   Single Ambig)
 &rst
  ixpk= 225, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:226       0 AMB  9-1:226     2.80    (#    226:9   Double Ambig)
 &rst
  ixpk= 226, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 382, 383, 298, 299, 320, 321,
 igr2= 397, 313,
 &end
#
#    0 AMB  9-2:227      26 LYS  HN          2.80    (#    227:9   Single Ambig)
 &rst
  ixpk= 227, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:228       0 AMB  9-1:228     2.80    (#    228:9   Double Ambig)
 &rst
  ixpk= 228, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  33,  34,  33,  34, 379, 380, 379, 380,
 igr2=  29, 397,
 &end
#
#    4 GLN  HG-           4 GLN  HN          5.20    (#    229:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 229, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  36,  37,
 &end
#
#    0 AMB  9-2:230      21 LYS  HN          3.50    (#    230:9   Single Ambig)
 &rst
  ixpk= 230, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 317, 318, 317, 318,
 &end
#
#    5 VAL  HB            5 VAL  HN          3.50    (#    231:9   Unique         2.27, 2.84 A)
 &rst
  ixpk= 231, nxpk= 9, iat=  50,  46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:232       9 TRP  HN          4.20    (#    232:9   Single Ambig)
 &rst
  ixpk= 232, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:233       0 AMB  9-1:233     3.50    (#    233:9   Double Ambig)
 &rst
  ixpk= 233, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 205, 206, 123, 124, 123, 124,
 igr2= 201, 119,
 &end
#
#   15 GLU  HB+          15 GLU  HN          4.50    (#    234:9   Unique         2.07, 2.80 A)
 &rst
  ixpk= 234, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 205, 206,
 &end
#
#    0 AMB  9-2:235       7 THR  HN          5.20    (#    235:9   Single Ambig)
 &rst
  ixpk= 235, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=  66,  67,  66,  67,
 &end
#
#   31 VAL  HB           33 PHE  HD          5.60    (#    236:9   Unique         3.56, 5.06 A)
 &rst
  ixpk= 236, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#   14 PRO  HB+          15 GLU  HN          4.20    (#    237:9   Unique)
 &rst
  ixpk= 237, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 194, 195,
 &end
#
#   27 ALA  MB           27 ALA  HN          2.80    (#    238:9   Unique         2.03, 2.96 A)
 &rst
  ixpk= 238, nxpk= 9, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 423, 424, 425,
 &end
#
#   17 LEU  HG           17 LEU  HN          2.80    (#    239:9   Unique         1.92, 2.64 A)
 &rst
  ixpk= 239, nxpk= 9, iat= 238, 231, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 LYS  HG-          18 LYS  HN          4.20    (#    240:9   Unique         2.00, 3.83 A)
 &rst
  ixpk= 240, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 257, 258,
 &end
#
#    6 ARG  HG-           6 ARG  HE          4.50    (#    241:9   Unique         2.07, 2.97 A)
 &rst
  ixpk= 241, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#   24 ALA  MB           25 LYS  HN          3.50    (#    242:9   Unique         1.90, 2.99 A)
 &rst
  ixpk= 242, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:243      18 LYS  HN          4.50    (#    243:9   Single Ambig)
 &rst
  ixpk= 243, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 260, 261, 260, 261,
 &end
#
#    0 AMB  9-2:244      23 GLU  HN          4.20    (#    244:9   Single Ambig)
 &rst
  ixpk= 244, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:245      23 GLU  HN          2.80    (#    245:9   Double Ambig)
 &rst
  ixpk= 245, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 339, 340, 354, 355,
 &end
#
#    0 AMB  9-2:246      25 LYS  HN          2.80    (#    246:9   Single Ambig)
 &rst
  ixpk= 246, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 379, 380, 379, 380,
 &end
#
#    0 AMB  9-2:247      25 LYS  HN          5.20    (#    247:9   Single Ambig)
 &rst
  ixpk= 247, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 385, 386, 385, 386,
 &end
#
#   24 ALA  MB           33 PHE  HE          4.20    (#    248:9   Unique         4.89, 5.90 A)
 &rst
  ixpk= 248, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 369, 370, 371,
 igr2= 526, 530,
 &end
#
#   31 VAL  HB           33 PHE  HE          4.20    (#    249:9   Unique         1.98, 3.90 A)
 &rst
  ixpk= 249, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 526, 530,
 &end
#
#   24 ALA  MB           33 PHE  HZ          4.20    (#    250:9   Unique         3.75, 4.52 A)
 &rst
  ixpk= 250, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 369, 370, 371,
 &end
#
#   31 VAL  HB           33 PHE  HZ          4.20    (#    251:9   Unique         3.22, 3.68 A)
 &rst
  ixpk= 251, nxpk= 9, iat= 490, 528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    5 VAL  MGY           5 VAL  HN          4.20    (#    253:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 253, nxpk= 9, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGX           5 VAL  HN          4.50    (#    254:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 254, nxpk= 9, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    8 ILE  QD1           9 TRP  HN          4.20    (#    255:9   Unique)
 &rst
  ixpk= 255, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 113, 114, 115,
 &end
#
#    0 AMB  9-2:256      27 ALA  HN          5.60    (#    256:9   Double Ambig)
 &rst
  ixpk= 256, nxpk= 9, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 453, 454, 453, 454,
 &end
#
#   17 LEU  HB-          17 LEU  HN          3.50    (#    257:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 257, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 235, 236,
 &end
#
#   20 LEU  HG           17 LEU  HN          5.60    (#    258:9   Unique         3.91, 4.60 A)
 &rst
  ixpk= 258, nxpk= 9, iat= 301, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ILE  QD1          23 GLU  HN          5.60    (#    259:9   Unique         4.37, 5.86 A)
 &rst
  ixpk= 259, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457, 458,
 &end
#
#   17 LEU  HB+          17 LEU  HN          5.20    (#    260:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 260, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 235, 236,
 &end
#
#   17 LEU  HB+          33 PHE  HD          5.60    (#    261:9   Unique         4.86, 6.60 A)
 &rst
  ixpk= 261, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 235, 236,
 igr2= 524, 532,
 &end
#
#   17 LEU  HB+          33 PHE  HE          5.60    (#    262:9   Unique         4.21, 6.07 A)
 &rst
  ixpk= 262, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 235, 236,
 igr2= 526, 530,
 &end
#
#   31 VAL  MGY          31 VAL  HN          2.80    (#    263:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 263, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          31 VAL  HN          4.50    (#    264:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 264, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   29 ILE  QD1          31 VAL  HN          5.20    (#    265:9   Unique         3.90, 5.29 A)
 &rst
  ixpk= 265, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#   25 LYS  HG+          25 LYS  HN          5.20    (#    266:9   Unique         1.93, 3.02 A)
 &rst
  ixpk= 266, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 382, 383,
 &end
#
#    0 AMB  9-2:267       0 AMB  9-1:267     5.20    (#    267:9   Double Ambig)
 &rst
  ixpk= 267, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 456, 457, 458, 508, 509, 510,
 igr2=  75, 553,
 &end
#
#    0 AMB  9-2:268       0 AMB  9-1:268     5.20    (#    268:9   Double Ambig)
 &rst
  ixpk= 268, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 447, 113, 114, 115,
 igr2=  75, 553,
 &end
#
#    8 ILE  QD1          33 PHE  HD          2.80    (#    269:9   Unique         2.31, 5.66 A)
 &rst
  ixpk= 269, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 113, 114, 115,
 igr2= 524, 532,
 &end
#
#   32 THR  MG2          34 TRP  HH2         3.50    (#    270:9   Unique)
 &rst
  ixpk= 270, nxpk= 9, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 508, 509, 510,
 &end
#
#    0 AMB  9-2:271      33 PHE  HD          4.50    (#    271:9   Single Ambig)
 &rst
  ixpk= 271, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 301, 323, 324, 323, 324,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:272      33 PHE  HE          2.80    (#    272:9   Single Ambig)
 &rst
  ixpk= 272, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 323, 324, 323, 324,
 igr2= 526, 530,
 &end
#
#   32 THR  MG2          34 TRP  HE3         4.20    (#    273:9   Unique         3.02, 4.36 A)
 &rst
  ixpk= 273, nxpk= 9, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#    8 ILE  QD1          33 PHE  HE          4.50    (#    274:9   Unique)
 &rst
  ixpk= 274, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 113, 114, 115,
 igr2= 526, 530,
 &end
#
#    0 AMB  9-2:275      33 PHE  HZ          2.80    (#    275:9   Single Ambig)
 &rst
  ixpk= 275, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 323, 324, 323, 324,
 &end
#
#   32 THR  MG2          34 TRP  HZ2         4.20    (#    276:9   Unique         2.94, 4.00 A)
 &rst
  ixpk= 276, nxpk= 9, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#    7 THR  MG2           9 TRP  HD1         4.50    (#    277:9   Unique         2.64, 3.31 A)
 &rst
  ixpk= 277, nxpk= 9, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#   31 VAL  MGY          33 PHE  HZ          4.50    (#    278:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 278, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGX           0 AMB  9-1:279     5.20    (#    279:9   Single Ambig)
 &rst
  ixpk= 279, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 526, 530, 555,
 &end
#
#   31 VAL  MGY          33 PHE  HE          3.50    (#    280:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 280, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 526, 530,
 &end
#
#   10 VAL  MGX          33 PHE  HD          4.50    (#    281:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 281, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 524, 532,
 &end
#
#   31 VAL  MGY          33 PHE  HD          5.20    (#    282:9   Unique         4.13, 6.58 A)
 &rst
  ixpk= 282, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 524, 532,
 &end
#
#   10 VAL  MGY           0 AMB  9-1:283     4.20    (#    283:9   Single Ambig)
 &rst
  ixpk= 283, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 526, 530, 555,
 &end
#
#   10 VAL  MGY          33 PHE  HD          4.20    (#    284:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 284, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 524, 532,
 &end
#
#   33 PHE  HZ           10 VAL  MGY         5.20    (#    285:9   Unique)
 &rst
  ixpk= 285, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   12 GLY  HN           11 GLY  HA+         3.50    (#    286:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 286, nxpk= 9, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 161, 162,
 &end
#
#    8 ILE  HN            7 THR  HA          2.20    (#    287:9   Unique         2.15, 2.21 A)
 &rst
  ixpk= 287, nxpk= 9, iat= 100,  88, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   30 ARG  HN           29 ILE  HA          2.80    (#    288:9   Unique         2.29, 2.34 A)
 &rst
  ixpk= 288, nxpk= 9, iat= 462, 445, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 VAL  HN            9 TRP  HA          2.80    (#    289:9   Unique         2.26, 2.27 A)
 &rst
  ixpk= 289, nxpk= 9, iat= 143, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ARG  HN           30 ARG  HB-         4.50    (#    290:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 290, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 ARG  HN           30 ARG  HB+         3.50    (#    291:9   Unique         3.65, 4.43 A)
 &rst
  ixpk= 291, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 466, 467,
 &end
#
#    8 ILE  HN            8 ILE  QG2         5.20    (#    292:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 292, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 106, 107, 108,
 &end
#
#    8 ILE  HN            7 THR  MG2         3.50    (#    293:9   Unique)
 &rst
  ixpk= 293, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#    8 ILE  HN            8 ILE  QD1         4.50    (#    294:9   Unique)
 &rst
  ixpk= 294, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   34 TRP  HN           10 VAL  MGY         4.50    (#    295:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 295, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   34 TRP  HN           10 VAL  MGX         5.20    (#    296:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 296, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  HN           10 VAL  MGX         4.50    (#    297:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 297, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   32 THR  HN           31 VAL  MGY         5.20    (#    298:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 298, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  HN           10 VAL  MGY         5.20    (#    299:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 299, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   32 THR  HN           31 VAL  MGX         4.50    (#    300:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 300, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   22 GLU  HN           20 LEU  MDX         6.00    (#    301:9   Unique         5.26, 6.54 A)
 &rst
  ixpk= 301, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  HN           20 LEU  MDX         5.20    (#    302:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 302, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    6 ARG  HN            0 AMB  9-1:303     4.20    (#    303:9   Double Ambig)
 &rst
  ixpk= 303, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 453, 454, 453, 454,
 &end
#
#    6 ARG  HN           29 ILE  HB          2.80    (#    304:9   Unique)
 &rst
  ixpk= 304, nxpk= 9, iat=  62, 447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 PHE  HN           32 THR  MG2         3.50    (#    305:9   Unique)
 &rst
  ixpk= 305, nxpk= 9, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#   32 THR  HN            8 ILE  QG2         3.50    (#    306:9   Unique         3.66, 4.59 A)
 &rst
  ixpk= 306, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 106, 107, 108,
 &end
#
#   10 VAL  HN           10 VAL  HB          5.20    (#    307:9   Unique         3.58, 3.64 A)
 &rst
  ixpk= 307, nxpk= 9, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   32 THR  HN           31 VAL  HB          3.50    (#    308:9   Unique         3.43, 3.52 A)
 &rst
  ixpk= 308, nxpk= 9, iat= 502, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN            0 AMB  9-1:309     2.80    (#    309:9   Single Ambig)
 &rst
  ixpk= 309, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 220, 221, 220, 221,
 &end
#
#   10 VAL  HN            0 AMB  9-1:310     4.20    (#    310:9   Single Ambig)
 &rst
  ixpk= 310, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 123, 124, 123, 124,
 &end
#
#   16 GLU  HN           16 GLU  HG-         4.20    (#    311:9   Unique)
 &rst
  ixpk= 311, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 223, 224,
 &end
#
#   34 TRP  HN           34 TRP  HB-         5.20    (#    312:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 312, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   34 TRP  HN            0 AMB  9-1:313     4.20    (#    313:9   Single Ambig)
 &rst
  ixpk= 313, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 520, 521, 520, 521,
 &end
#
#   33 PHE  HN            0 AMB  9-1:314     3.50    (#    314:9   Single Ambig)
 &rst
  ixpk= 314, nxpk= 9, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 520, 521, 520, 521,
 &end
#
#   12 GLY  HN           11 GLY  HA-         4.20    (#    315:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 315, nxpk= 9, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 161, 162,
 &end
#
#   32 THR  HN           32 THR  HB          4.20    (#    316:9   Unique         2.39, 2.49 A)
 &rst
  ixpk= 316, nxpk= 9, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    6 ARG  HN            5 VAL  HA          2.20    (#    317:9   Unique         2.20, 2.23 A)
 &rst
  ixpk= 317, nxpk= 9, iat=  62,  48, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   11 GLY  HA-          11 GLY  HA+         2.80    (#    318:9   Unique)
#This appears to be self-referential: ignoring
#
#   11 GLY  HA+          11 GLY  HA-         2.80    (#    319:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HN           17 LEU  HB-         4.50    (#    320:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 320, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 235, 236,
 &end
#
#    7 THR  HA            7 THR  HB          5.20    (#    322:9   Unique         2.98, 3.04 A)
 &rst
  ixpk= 322, nxpk= 9, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:323       0 AMB  9-1:323     5.20    (#    323:9   Double Ambig)
 &rst
  ixpk= 323, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 294, 365,
 igr2= 223, 224, 357, 358,
 &end
#
#   35 GLY  HA-          35 GLY  HA+         2.20    (#    324:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HA           29 ILE  HA          5.20    (#    325:9   Unique)
 &rst
  ixpk= 325, nxpk= 9, iat= 431, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HA           28 ASN  HA          5.20    (#    326:9   Unqiue)
 &rst
  ixpk= 326, nxpk= 9, iat= 445, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HA           28 ASN  HB+         3.50    (#    327:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 327, nxpk= 9, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 433, 434,
 &end
#
#   28 ASN  HA           28 ASN  HB-         4.20    (#    328:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 328, nxpk= 9, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 433, 434,
 &end
#
#   36 ASP  HA           34 TRP  HB-         3.50    (#    329:9   Unique         3.45, 4.17 A)
 &rst
  ixpk= 329, nxpk= 9, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 540, 541,
 &end
#
#   34 TRP  HA           34 TRP  HB+         4.20    (#    330:9   Unique         2.64, 2.82 A)
 &rst
  ixpk= 330, nxpk= 9, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 540, 541,
 &end
#
#   33 PHE  HA            0 AMB  9-1:332     3.50    (#    332:9   Single Ambig)
 &rst
  ixpk= 332, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 520, 521, 520, 521,
 &end
#
#    0 AMB  9-2:333       0 AMB  9-1:333     4.20    (#    333:9   Double Ambig)
 &rst
  ixpk= 333, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 252, 399, 218,
 igr2= 257, 258, 404, 405, 279, 280,
 &end
#
#    8 ILE  HA            0 AMB  9-1:337     3.50    (#    337:9   Single Ambig)
 &rst
  ixpk= 337, nxpk= 9, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 110, 111, 110, 111,
 &end
#
#    9 TRP  HA            0 AMB  9-1:338     2.80    (#    338:9   Single Ambig)
 &rst
  ixpk= 338, nxpk= 9, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 123, 124, 123, 124,
 &end
#
#   31 VAL  HA           31 VAL  HB          3.50    (#    339:9   Unique         2.49, 2.52 A)
 &rst
  ixpk= 339, nxpk= 9, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HA           10 VAL  HB          5.20    (#    340:9   Unique         2.45, 2.51 A)
 &rst
  ixpk= 340, nxpk= 9, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    7 THR  HA            7 THR  MG2         4.20    (#    341:9   Unique         2.52, 3.29 A)
 &rst
  ixpk= 341, nxpk= 9, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  92,  93,  94,
 &end
#
#    9 TRP  HA           10 VAL  MGX         5.60    (#    342:9   Unique         3.75, 5.04 A)
 &rst
  ixpk= 342, nxpk= 9, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HA           10 VAL  MGY         5.20    (#    343:9   Unique         1.93, 3.93 A)
 &rst
  ixpk= 343, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  HA           10 VAL  MGY         3.50    (#    344:9   Unique         2.45, 3.45 A)
 &rst
  ixpk= 344, nxpk= 9, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  HA           31 VAL  MGY         4.50    (#    345:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 345, nxpk= 9, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HA           31 VAL  MGX         2.80    (#    346:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 346, nxpk= 9, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:347       0 AMB  9-1:347     3.50    (#    347:9   Double Ambig)
 &rst
  ixpk= 347, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64, 102,
 igr2=  52,  53,  54,  56,  57,  58, 113, 114, 115,
 &end
#
#   32 THR  HA           32 THR  MG2         3.50    (#    349:9   Unique         2.24, 3.07 A)
 &rst
  ixpk= 349, nxpk= 9, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#    6 ARG  HA            6 ARG  HG+         4.20    (#    350:9   Unique         2.01, 3.55 A)
 &rst
  ixpk= 350, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=  69,  70,
 &end
#
#   30 ARG  HA           31 VAL  MGY         5.20    (#    351:9   Unique         3.49, 4.85 A)
 &rst
  ixpk= 351, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.20    (#    352:9   Unique         2.26, 2.66 A)
 &rst
  ixpk= 352, nxpk= 9, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 423, 424, 425,
 &end
#
#   30 ARG  HA           30 ARG  HG-         5.20    (#    353:9   Unique         2.61, 3.72 A)
 &rst
  ixpk= 353, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 469, 470,
 &end
#
#    0 AMB  9-2:354       0 AMB  9-1:354     4.50    (#    354:9   Double Ambig)
 &rst
  ixpk= 354, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 464, 421,
 igr2= 466, 467, 407, 408,
 &end
#
#   30 ARG  HA           30 ARG  HB-         4.20    (#    355:9   Unique         2.29, 2.53 A)
 &rst
  ixpk= 355, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 466, 467,
 &end
#
#    4 GLN  HA            0 AMB  9-1:356     4.50    (#    356:9   Single Ambig)
 &rst
  ixpk= 356, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  33,  34,  33,  34,
 &end
#
#   25 LYS  HA            0 AMB  9-1:357     3.50    (#    357:9   Single Ambig)
 &rst
  ixpk= 357, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 379, 380, 379, 380,
 &end
#
#   17 LEU  HA           17 LEU  HB+         4.20    (#    358:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 358, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 235, 236,
 &end
#
#   20 LEU  HA           20 LEU  MDX         2.80    (#    359:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 359, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   21 LYS  HA            0 AMB  9-1:360     3.50    (#    360:9   Single Ambig)
 &rst
  ixpk= 360, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 323, 324, 323, 324,
 &end
#
#   20 LEU  HA           20 LEU  HB+         3.50    (#    361:9   Unique)
 &rst
  ixpk= 361, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   17 LEU  HA           17 LEU  HG          3.50    (#    362:9   Unique         2.19, 2.77 A)
 &rst
  ixpk= 362, nxpk= 9, iat= 233, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  MGY           8 ILE  QG2         6.00    (#    364:9   Unique )
 &rst
  ixpk= 364, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:365       0 AMB  9-1:365     3.50    (#    365:9   Double Ambig)
 &rst
  ixpk= 365, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 263, 264, 263, 264, 263, 264,
 igr2= 260, 261, 260, 261, 260, 261,
 &end
#
#   34 TRP  HB-          34 TRP  HB+         2.20    (#    366:9   Unique)
#This appears to be self-referential: ignoring
#
#   34 TRP  HB+          34 TRP  HB-         2.20    (#    367:9   Unique)
#This appears to be self-referential: ignoring
#
#   23 GLU  HG+          23 GLU  HB+         2.80    (#    368:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 368, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:369      17 LEU  MDX         4.20    (#    369:9   Single Ambig)
 &rst
  ixpk= 369, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 520, 521, 520, 521,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDX           0 AMB  9-1:370     4.50    (#    370:9   Single Ambig)
 &rst
  ixpk= 370, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 520, 521, 520, 521,
 &end
#
#   17 LEU  MDY          17 LEU  MDX         4.20    (#    371:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:372       0 AMB  9-1:372     2.80    (#    372:9   Double Ambig)
 &rst
  ixpk= 372, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 342, 343, 317, 318, 317, 318, 317, 318,
 igr2= 404, 405, 320, 321, 320, 321, 320, 321,
 &end
#
#    0 AMB  9-2:373      31 VAL  HB          3.50    (#    373:9   Single Ambig)
 &rst
  ixpk= 373, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111, 110, 111,
 &end
#
#   29 ILE  QD1          31 VAL  MGY         3.50    (#    374:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 374, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 456, 457, 458,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   33 PHE  HZ           31 VAL  MGY         4.50    (#    375:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 375, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   17 LEU  HG           17 LEU  HB+         4.20    (#    376:9   Unique         2.34, 2.76 A)
 &rst
  ixpk= 376, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 235, 236,
 &end
#
#   17 LEU  MDY          17 LEU  HB+         4.50    (#    377:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 377, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB+          17 LEU  HB-         2.20    (#    378:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HB-          17 LEU  HB+         2.20    (#    379:9   Unique)
#This appears to be self-referential: ignoring
#
#   10 VAL  HB           10 VAL  MGY         2.80    (#    380:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 380, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  HB           10 VAL  MGY         4.50    (#    381:9   Unique         4.43, 5.62 A)
 &rst
  ixpk= 381, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  HG           10 VAL  MGY         3.50    (#    382:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 382, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#    0 AMB  9-2:383      10 VAL  MGY         5.20    (#    383:9   Single Ambig)
 &rst
  ixpk= 383, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1= 113, 114, 115, 179, 180, 181,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          31 VAL  MGX         4.50    (#    384:9   Unique)
 &rst
  ixpk= 384, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   23 GLU  HB+          31 VAL  MGX         3.50    (#    385:9   Unique         3.56, 5.64 A)
 &rst
  ixpk= 385, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 354, 355,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    4 GLN  HG-           0 AMB  9-1:386     3.50    (#    386:9   Single Ambig)
 &rst
  ixpk= 386, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  36,  37,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:387      19 LYS  HG-         4.20    (#    387:9   Single Ambig)
 &rst
  ixpk= 387, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 276, 277, 276, 277,
 igr2= 279, 280,
 &end
#
#    0 AMB  9-2:388      20 LEU  MDY         4.20    (#    388:9   Single Ambig)
 &rst
  ixpk= 388, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 110, 111, 110, 111,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  QG2           0 AMB  9-1:389     2.20    (#    389:9   Single Ambig)
 &rst
  ixpk= 389, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 449, 450, 451,
 igr2= 453, 454, 453, 454,
 &end
#
#   17 LEU  HB+          17 LEU  MDY         4.20    (#    390:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 390, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  HB+          17 LEU  HG          4.20    (#    391:9   Unique         2.34, 2.76 A)
 &rst
  ixpk= 391, nxpk= 9, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 235, 236,
 &end
#
#   31 VAL  MGX          10 VAL  MGY         4.50    (#    392:9   Unique)
 &rst
  ixpk= 392, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY           0 AMB  9-1:393     4.20    (#    393:9   Single Ambig)
 &rst
  ixpk= 393, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 113, 114, 115, 179, 180, 181,
 &end
#
#   10 VAL  MGY          20 LEU  HG          3.50    (#    394:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 394, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          10 VAL  HB          2.80    (#    395:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 395, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          31 VAL  HB          4.50    (#    396:9   Unique         4.43, 5.62 A)
 &rst
  ixpk= 396, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDX          20 LEU  HB+         2.80    (#    397:9   Unique)
 &rst
  ixpk= 397, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 298, 299,
 &end
#
#   10 VAL  MGX          10 VAL  HB          3.50    (#    398:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 398, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  MGY          31 VAL  HB          2.20    (#    399:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 399, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   20 LEU  HB+          20 LEU  MDX         2.80    (#    400:9   Unique)
 &rst
  ixpk= 400, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   10 VAL  HB           10 VAL  MGX         3.50    (#    401:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 401, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   24 ALA  MB           31 VAL  MGY         3.50    (#    402:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 402, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 369, 370, 371,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HB           31 VAL  MGY         2.80    (#    403:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 403, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HB           31 VAL  MGX         2.80    (#    404:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 404, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:405       0 AMB  9-1:405     2.20    (#    405:9   Double Ambig)
 &rst
  ixpk= 405, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 260, 261, 260, 261, 407, 408, 407, 408,
 &end
#
#    5 VAL  HB            5 VAL  MGX         2.80    (#    406:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 406, nxpk= 9, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  HB            5 VAL  MGY         3.50    (#    407:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 407, nxpk= 9, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   23 GLU  HB+          29 ILE  QD1         4.20    (#    408:9   Unique         1.97, 3.73 A)
 &rst
  ixpk= 408, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 354, 355,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:409       7 THR  MG2         4.20    (#    409:9   Single Ambig)
 &rst
  ixpk= 409, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 123, 124, 123, 124,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  9-2:410       0 AMB  9-1:410     2.80    (#    410:9   Double Ambig)
 &rst
  ixpk= 410, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 317, 318, 317, 318, 317, 318,
 igr2= 323, 324, 323, 324, 323, 324,
 &end
#
#    0 AMB  9-2:411       8 ILE  QD1         2.80    (#    411:9   Single Ambig)
 &rst
  ixpk= 411, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 110, 111, 110, 111,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:412      31 VAL  MGY         3.50    (#    412:9   Single Ambig)
 &rst
  ixpk= 412, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 323, 324, 323, 324,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          23 GLU  HB+         3.50    (#    413:9   Unique         3.56, 5.64 A)
 &rst
  ixpk= 413, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:414       4 GLN  HG-         3.50    (#    414:9   Single Ambig)
 &rst
  ixpk= 414, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 453, 454, 453, 454,
 igr2=  36,  37,
 &end
#
#    5 VAL  MGX           5 VAL  HB          2.80    (#    415:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 415, nxpk= 9, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGY           5 VAL  HB          3.50    (#    416:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 416, nxpk= 9, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   31 VAL  MGX          31 VAL  HB          2.80    (#    417:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 417, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:418      27 ALA  MB          3.50    (#    418:9   Single Ambig)
 &rst
  ixpk= 418, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 453, 454, 453, 454,
 igr2= 423, 424, 425,
 &end
#
#    8 ILE  QD1           8 ILE  QG2         3.50    (#    419:9   Unique         2.52, 4.57 A)
 &rst
  ixpk= 419, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 113, 114, 115,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:420       0 AMB  9-1:420     2.20    (#    420:9   Double Ambig)
 &rst
  ixpk= 420, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 323, 324, 323, 324, 323, 324, 301,
 igr2= 320, 321, 320, 321, 320, 321, 298, 299,
 &end
#
#    8 ILE  HB            8 ILE  QG2         2.20    (#    421:9   Unique         2.33, 2.64 A)
 &rst
  ixpk= 421, nxpk= 9, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:422      24 ALA  MB          2.80    (#    422:9   Single Ambig)
 &rst
  ixpk= 422, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 323, 324, 323, 324,
 igr2= 369, 370, 371,
 &end
#
#    0 AMB  9-2:423       0 AMB  9-1:423     2.20    (#    423:9   Double Ambig)
 &rst
  ixpk= 423, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 323, 324, 323, 324, 323, 324,
 igr2= 385, 386, 385, 386, 385, 386,
 &end
#
#    0 AMB  9-2:424       0 AMB  9-1:424     2.80    (#    424:9   Double Ambig)
 &rst
  ixpk= 424, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 323, 324, 323, 324, 323, 324,
 igr2= 317, 318, 317, 318, 317, 318,
 &end
#
#    7 THR  MG2           0 AMB  9-1:425     4.20    (#    425:9   Single Ambig)
 &rst
  ixpk= 425, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  92,  93,  94,
 igr2= 123, 124, 123, 124,
 &end
#
#   29 ILE  QD1          23 GLU  HB+         3.50    (#    426:9   Unique         1.97, 3.73 A)
 &rst
  ixpk= 426, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 456, 457, 458,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:427       0 AMB  9-1:427     2.80    (#    427:9   Double Ambig)
 &rst
  ixpk= 427, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 404, 405, 320, 321, 320, 321, 320, 321,
 igr2= 342, 343, 317, 318, 317, 318, 317, 318,
 &end
#
#   17 LEU  MDX          17 LEU  MDY         4.20    (#    428:9   Unique)
#This appears to be self-referential: ignoring
#
#   19 LYS  HG-           0 AMB  9-1:429     3.50    (#    429:9   Single Ambig)
 &rst
  ixpk= 429, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 279, 280,
 igr2= 276, 277, 276, 277,
 &end
#
#   19 LYS  HG-           0 AMB  9-1:430     2.80    (#    430:9   Single Ambig)
 &rst
  ixpk= 430, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 279, 280,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  9-2:431      19 LYS  HG-         2.80    (#    431:9   Single Ambig)
 &rst
  ixpk= 431, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 282, 283, 282, 283,
 igr2= 279, 280,
 &end
#
#    0 AMB  9-2:432       0 AMB  9-1:432     2.80    (#    432:9   Double Ambig)
 &rst
  ixpk= 432, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 320, 321, 320, 321, 320, 321, 298, 299,
 igr2= 323, 324, 323, 324, 323, 324, 301,
 &end
#
#    8 ILE  QG2           8 ILE  HB          2.80    (#    433:9   Unique         2.33, 2.64 A)
 &rst
  ixpk= 433, nxpk= 9, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 106, 107, 108,
 &end
#
#    8 ILE  QG2           8 ILE  QD1         3.50    (#    434:9   Unique         2.52, 4.57 A)
 &rst
  ixpk= 434, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 106, 107, 108,
 igr2= 113, 114, 115,
 &end
#
#   27 ALA  MB            0 AMB  9-1:435     3.50    (#    435:9   Single Ambig)
 &rst
  ixpk= 435, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 423, 424, 425,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  QG2          29 ILE  QD1         3.50    (#    436:9   Unique         3.05, 4.41 A)
 &rst
  ixpk= 436, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 449, 450, 451,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:437       0 AMB  9-1:437     2.20    (#    437:9   Double Ambig)
 &rst
  ixpk= 437, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 385, 386, 385, 386, 385, 386,
 igr2= 323, 324, 323, 324, 323, 324,
 &end
#
#   24 ALA  MB            0 AMB  9-1:438     2.80    (#    438:9   Single Ambig)
 &rst
  ixpk= 438, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 369, 370, 371,
 igr2= 323, 324, 323, 324,
 &end
#
#   23 GLU  HB+          23 GLU  HG+         2.80    (#    439:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 439, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 354, 355,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:440       0 AMB  9-1:440     4.50    (#    440:9   Double Ambig)
 &rst
  ixpk= 440, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 260, 261, 260, 261, 260, 261,
 igr2= 263, 264, 263, 264, 263, 264,
 &end
#
#    0 AMB  9-2:441       0 AMB  9-1:441     4.20    (#    441:9   Double Ambig)
 &rst
  ixpk= 441, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 385, 386, 385, 386, 385, 386,
 igr2= 388, 389, 388, 389, 388, 389,
 &end
#
#    8 ILE  QD1           0 AMB  9-1:443     4.50    (#    443:9   Single Ambig)
 &rst
  ixpk= 443, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 113, 114, 115,
 igr2= 520, 521, 520, 521,
 &end
#
#   29 ILE  HB           28 ASN  HB-         6.00    (#    444:9   Unique         5.66, 6.47 A)
 &rst
  ixpk= 444, nxpk= 9, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 433, 434,
 &end
#
#    8 ILE  QD1           0 AMB  9-1:446     2.80    (#    446:9   Single Ambig)
 &rst
  ixpk= 446, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 113, 114, 115,
 igr2= 110, 111, 110, 111,
 &end
#
#   17 LEU  HG           17 LEU  HA          3.50    (#    448:9   Unique)
 &rst
  ixpk= 448, nxpk= 9, iat= 238, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HB+          20 LEU  HA          4.20    (#    449:9   Unique)
 &rst
  ixpk= 449, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 298, 299,
 &end
#
#    0 AMB  9-2:450      19 LYS  HA          2.80    (#    450:9   Single Ambig)
 &rst
  ixpk= 450, nxpk= 9, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 276, 277, 276, 277,
 &end
#
#   20 LEU  MDX          20 LEU  HA          2.80    (#    451:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 451, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:452      24 ALA  HA          3.50    (#    452:9   Single Ambig)
 &rst
  ixpk= 452, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:453      21 LYS  HA          3.50    (#    453:9   Single Ambig)
 &rst
  ixpk= 453, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 323, 324, 323, 324,
 &end
#
#   29 ILE  QD1          29 ILE  HA          4.50    (#    454:9   Unique         4.26, 4.86 A)
 &rst
  ixpk= 454, nxpk= 9, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#    5 VAL  MGY           5 VAL  HA          4.50    (#    455:9   Unique         2.10, 3.28 A)
 &rst
  ixpk= 455, nxpk= 9, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:456       5 VAL  HA          4.20    (#    456:9   Single Ambig)
 &rst
  ixpk= 456, nxpk= 9, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  52,  53,  54,  56,  57,  58, 447,
 &end
#
#   32 THR  MG2          32 THR  HB          4.20    (#    457:9   Unique)
 &rst
  ixpk= 457, nxpk= 9, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#   20 LEU  HG           20 LEU  HA          3.50    (#    458:9   Unique         3.55, 3.58 A)
 &rst
  ixpk= 458, nxpk= 9, iat= 301, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:459       0 AMB  9-1:459     3.50    (#    459:9   Double Ambig)
 &rst
  ixpk= 459, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 252, 399, 218,
 &end
#
#    0 AMB  9-2:460       0 AMB  9-1:460     2.80    (#    460:9   Double Ambig)
 &rst
  ixpk= 460, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 220, 221, 220, 221, 354, 355,
 igr2= 218, 352,
 &end
#
#   22 GLU  HB+          22 GLU  HA          4.50    (#    461:9   Unique         2.31, 2.77 A)
 &rst
  ixpk= 461, nxpk= 9, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 339, 340,
 &end
#
#    0 AMB  9-2:462       0 AMB  9-1:462     4.20    (#    462:9   Double Ambig)
 &rst
  ixpk= 462, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 223, 224, 342, 343,
 igr2= 177, 337,
 &end
#
#   16 GLU  HG+          16 GLU  HA          3.50    (#    463:9   Unique         3.14, 3.71 A)
 &rst
  ixpk= 463, nxpk= 9, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 223, 224,
 &end
#
#   13 THR  HB           20 LEU  MDY         5.60    (#    464:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 464, nxpk= 9, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   24 ALA  HA            0 AMB  9-1:465     3.50    (#    465:9   Single Ambig)
 &rst
  ixpk= 465, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  HA           29 ILE  QD1         4.50    (#    466:9   Unique         4.26, 4.86 A)
 &rst
  ixpk= 466, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 456, 457, 458,
 &end
#
#    5 VAL  HA            5 VAL  MGY         4.50    (#    467:9   Unique         2.10, 3.28 A)
 &rst
  ixpk= 467, nxpk= 9, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  HA            0 AMB  9-1:468     4.20    (#    468:9   Single Ambig)
 &rst
  ixpk= 468, nxpk= 9, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=  52,  53,  54,  56,  57,  58, 447,
 &end
#
#    0 AMB  9-2:469       0 AMB  9-1:469     4.20    (#    469:9   Double Ambig)
 &rst
  ixpk= 469, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  90, 506,
 igr2=  92,  93,  94, 508, 509, 510,
 &end
#
#   20 LEU  HA           20 LEU  HG          3.50    (#    470:9   Unique         3.55, 3.58 A)
 &rst
  ixpk= 470, nxpk= 9, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HA            0 AMB  9-1:471     2.80    (#    471:9   Single Ambig)
 &rst
  ixpk= 471, nxpk= 9, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:472       0 AMB  9-1:472     3.50    (#    472:9   Double Ambig)
 &rst
  ixpk= 472, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 177, 337,
 igr2= 223, 224, 342, 343,
 &end
#
#   22 GLU  HA           22 GLU  HB+         3.50    (#    473:9   Unique         2.31, 2.77 A)
 &rst
  ixpk= 473, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#    474:9   Unique         3.14, 3.71 A)
 &rst
  ixpk= 474, nxpk= 9, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 223, 224,
 &end
#
#   22 GLU  HA            0 AMB  9-1:475     4.20    (#    475:9   Single Ambig)
 &rst
  ixpk= 475, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:476       0 AMB  9-1:476     2.20    (#    476:9   Double Ambig)
 &rst
  ixpk= 476, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 352, 252, 399,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
      
 &end
#
#    0 AMB  9-2:477       0 AMB  9-1:477     2.80    (#    477:9   Double Ambig)
 &rst
  ixpk= 477, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 218, 352,
 igr2= 220, 221, 220, 221, 354, 355,
 &end
#
#    0 AMB  9-2:478       0 AMB  9-1:478     3.50    (#    478:9   Double Ambig)
 &rst
  ixpk= 478, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 399, 252, 352,
 igr2= 407, 408, 407, 408, 260, 261, 260, 261,
 &end
#
#   24 ALA  HA           24 ALA  MB          4.20    (#    479:9   Unique         2.24, 2.66 A)
 &rst
  ixpk= 479, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 369, 370, 371,
 &end
#
#   23 GLU  HA           23 GLU  HG-         4.20    (#    480:9   Unique)
 &rst
  ixpk= 480, nxpk= 9, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:481       0 AMB  9-1:481     4.20    (#    481:9   Double Ambig)
 &rst
  ixpk= 481, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 352, 203,
 igr2= 357, 358, 208, 209, 342, 343,
 &end
#
#   15 GLU  HA           15 GLU  HG-         4.20    (#    482:9   Unique         2.28, 3.07 A)
 &rst
  ixpk= 482, nxpk= 9, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 208, 209,
 &end
#
#    0 AMB  9-2:484       0 AMB  9-1:484     4.50    (#    484:9   Double Ambig)
 &rst
  ixpk= 484, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 388, 389, 388, 389,
 igr2= 385, 386, 385, 386, 385, 386,
 &end
#
#   20 LEU  HB-          20 LEU  HN          3.50    (#    485:9   Unique         1.98, 2.62 A)
 &rst
  ixpk= 485, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 298, 299,
 &end
#
#    0 AMB  9-2:486       0 AMB  9-1:486     4.20    (#    486:9   Double Ambig)
 &rst
  ixpk= 486, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 354, 355, 220, 221, 220, 221, 339, 340,
 igr2= 365, 294,
 &end
#
#    0 AMB  9-2:487       0 AMB  9-1:487     4.20    (#    487:9   Double Ambig)
 &rst
  ixpk= 487, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 365, 294,
 &end
#
#    0 AMB  9-2:488       0 AMB  9-1:488     2.80    (#    488:9   Double Ambig)
 &rst
  ixpk= 488, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 102,  64,
 igr2= 119,  86,
 &end
#
#    8 ILE  HN           10 VAL  HN          5.60    (#    489:9   Unique)
 &rst
  ixpk= 489, nxpk= 9, iat= 100, 143, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   33 PHE  HA           33 PHE  HD          4.50    (#    490:9   Unique         2.10, 3.56 A)
 &rst
  ixpk= 490, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 532,
 &end
#
#   33 PHE  HZ            0 AMB  9-1:491     2.80    (#    491:9   Single Ambig)
 &rst
  ixpk= 491, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGY          10 VAL  MGX         2.80    (#    493:9   Unique)
#This appears to be self-referential: ignoring
#
#   31 VAL  MGY          31 VAL  MGX         2.80    (#    494:9   Unique)
#This appears to be self-referential: ignoring
#
#   31 VAL  MGX          31 VAL  MGY         2.80    (#    495:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDY          20 LEU  MDX         2.80    (#    496:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDX          20 LEU  MDY         2.80    (#    497:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDX           8 ILE  QD1         4.20    (#    498:9   Unique         1.94, 4.51 A)
 &rst
  ixpk= 498, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 113, 114, 115,
 &end
#
#   29 ILE  QD1          31 VAL  MGX         2.20    (#    499:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 499, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 456, 457, 458,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    8 ILE  HB            8 ILE  QD1         2.20    (#    500:9   Unique         2.10, 2.82 A)
 &rst
  ixpk= 500, nxpk= 9, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 113, 114, 115,
 &end
#
#   20 LEU  HG           20 LEU  MDY         2.80    (#    501:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 501, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    8 ILE  QD1          20 LEU  MDX         4.20    (#    502:9   Unique         1.94, 4.51 A)
 &rst
  ixpk= 502, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 113, 114, 115,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX          29 ILE  QD1         2.20    (#    503:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 503, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 456, 457, 458,
 &end
#
#   31 VAL  MGY          29 ILE  QD1         3.50    (#    504:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 504, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:505      29 ILE  QG2         2.20    (#    505:9   Single Ambig)
 &rst
  ixpk= 505, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 453, 454, 453, 454,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  9-2:506      33 PHE  HZ          5.60    (#    506:9   Single Ambig)
 &rst
  ixpk= 506, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 320, 321, 320, 321, 298, 299,
 &end
#
#   17 LEU  HG           33 PHE  HE          5.20    (#    507:9   Unique         3.20, 5.22 A)
 &rst
  ixpk= 507, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 526, 530,
 &end
#
#    8 ILE  QD1          33 PHE  HZ          5.20    (#    508:9   Unique         5.25, 6.56 A)
 &rst
  ixpk= 508, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 113, 114, 115,
 &end
#
#   31 VAL  HN           31 VAL  MGY         2.80    (#    509:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 509, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   33 PHE  HE           31 VAL  MGY         3.50    (#    510:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 510, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 526, 530,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:511      10 VAL  MGY         4.50    (#    511:9   Single Ambig)
 &rst
  ixpk= 511, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 526, 530, 555,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD           10 VAL  MGY         4.50    (#    512:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 512, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 524, 532,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#    0 AMB  9-2:513      10 VAL  MGX         5.20    (#    513:9   Single Ambig)
 &rst
  ixpk= 513, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 526, 530, 555,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD           10 VAL  MGX         5.20    (#    514:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 514, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD            8 ILE  QD1         2.80    (#    515:9   Unique         2.31, 5.66 A)
 &rst
  ixpk= 515, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 524, 532,
 igr2= 113, 114, 115,
 &end
#
#   34 TRP  HH2          32 THR  MG2         3.50    (#    516:9   Unique)
 &rst
  ixpk= 516, nxpk= 9, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#   33 PHE  HE            0 AMB  9-1:517     2.80    (#    517:9   Single Ambig)
 &rst
  ixpk= 517, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 526, 530,
 igr2= 323, 324, 323, 324,
 &end
#
#   33 PHE  HE           24 ALA  MB          4.20    (#    518:9   Unique         4.89, 5.90 A)
 &rst
  ixpk= 518, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 526, 530,
 igr2= 369, 370, 371,
 &end
#
#   33 PHE  HZ           24 ALA  MB          4.50    (#    519:9   Unique         3.75, 4.52 A)
 &rst
  ixpk= 519, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 369, 370, 371,
 &end
#
#   25 LYS  HN           24 ALA  MB          4.20    (#    520:9   Unique         1.90, 2.99 A)
 &rst
  ixpk= 520, nxpk= 9, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 369, 370, 371,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#    521:9   Unique         2.03, 2.96 A)
 &rst
  ixpk= 521, nxpk= 9, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 423, 424, 425,
 &end
#
#    5 VAL  HN            5 VAL  MGY         4.20    (#    522:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 522, nxpk= 9, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   24 ALA  HN           24 ALA  MB          2.80    (#    523:9   Unique)
 &rst
  ixpk= 523, nxpk= 9, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 369, 370, 371,
 &end
#
#   17 LEU  HN           17 LEU  HG          2.80    (#    524:9   Unique         1.92, 2.64 A)
 &rst
  ixpk= 524, nxpk= 9, iat= 231, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 LYS  HN            0 AMB  9-1:525     4.20    (#    525:9   Single Ambig)
 &rst
  ixpk= 525, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 260, 261, 260, 261,
 &end
#
#   23 GLU  HN            0 AMB  9-1:526     4.20    (#    526:9   Single Ambig)
 &rst
  ixpk= 526, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 276, 277, 276, 277,
 &end
#
#   25 LYS  HN            0 AMB  9-1:527     2.80    (#    527:9   Single Ambig)
 &rst
  ixpk= 527, nxpk= 9, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 379, 380, 379, 380,
 &end
#
#   23 GLU  HN            0 AMB  9-1:528     2.80    (#    528:9   Double Ambig)
 &rst
  ixpk= 528, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 339, 340, 354, 355,
 &end
#
#    5 VAL  HN            5 VAL  HB          3.50    (#    529:9   Unique         2.27, 2.84 A)
 &rst
  ixpk= 529, nxpk= 9, iat=  46,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HN            0 AMB  9-1:530     2.80    (#    530:9   Single Ambig)
 &rst
  ixpk= 530, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 279, 280, 298, 299,
 &end
#
#   29 ILE  HN           29 ILE  QG2         2.20    (#    531:9   Unique         2.27, 3.19 A)
 &rst
  ixpk= 531, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 449, 450, 451,
 &end
#
#   26 LYS  HN            0 AMB  9-1:532     2.80    (#    532:9   Single Ambig)
 &rst
  ixpk= 532, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:533       0 AMB  9-1:533     3.50    (#    533:9   Double Ambig)
 &rst
  ixpk= 533, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  29, 397,
 igr2=  33,  34,  33,  34, 379, 380, 379, 380,
 &end
#
#   21 LYS  HN            0 AMB  9-1:534     2.80    (#    534:9   Single Ambig)
 &rst
  ixpk= 534, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 298, 299, 320, 321, 320, 321,
 &end
#
#   31 VAL  HN           31 VAL  MGX         5.20    (#    535:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 535, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   18 LYS  HN           18 LYS  HG-         4.50    (#    536:9   Unique         2.00, 3.83 A)
 &rst
  ixpk= 536, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 257, 258,
 &end
#
#    0 AMB  9-2:537       0 AMB  9-1:537     4.20    (#    537:9   Double Ambig)
 &rst
  ixpk= 537, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  46, 567,
 igr2=  31, 562, 563,
 &end
#
#   28 ASN  HN           28 ASN  HA          4.20    (#    538:9   Unique         2.20, 2.65 A)
 &rst
  ixpk= 538, nxpk= 9, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   17 LEU  HN           17 LEU  HA          4.20    (#    539:9   Unique         2.66, 2.69 A)
 &rst
  ixpk= 539, nxpk= 9, iat= 231, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   33 PHE  HE           17 LEU  HA          4.20    (#    540:9   Unique         3.33, 4.77 A)
 &rst
  ixpk= 540, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 526, 530,
 &end
#
#   33 PHE  HZ           17 LEU  HA          4.50    (#    541:9   Unique         3.46, 4.23 A)
 &rst
  ixpk= 541, nxpk= 9, iat= 528, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 LYS  HN           19 LYS  HA          4.20    (#    542:9   Unique         2.90, 2.91 A)
 &rst
  ixpk= 542, nxpk= 9, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   15 GLU  HN           15 GLU  HA          4.20    (#    543:9   Unique         2.78, 2.83 A)
 &rst
  ixpk= 543, nxpk= 9, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   26 LYS  HN           26 LYS  HA          3.50    (#    544:9   Unique)
 &rst
  ixpk= 544, nxpk= 9, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ALA  HN           24 ALA  HA          4.20    (#    545:9   Unique         2.75, 2.80 A)
 &rst
  ixpk= 545, nxpk= 9, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   36 ASP  HN           34 TRP  HB-         5.20    (#    546:9   Unique         2.24, 3.08 A)
 &rst
  ixpk= 546, nxpk= 9, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   15 GLU  HN           15 GLU  HG-         4.50    (#    547:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 547, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 208, 209,
 &end
#
#   23 GLU  HN           23 GLU  HG+         4.50    (#    548:9   Unique         1.94, 3.30 A)
 &rst
  ixpk= 548, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 357, 358,
 &end
#
#   23 GLU  HN            0 AMB  9-1:549     4.20    (#    549:9   Single Ambig)
 &rst
  ixpk= 549, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 357, 358, 342, 343,
 &end
#
#   21 LYS  HN            0 AMB  9-1:550     3.50    (#    550:9   Single Ambig)
 &rst
  ixpk= 550, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:551       0 AMB  9-1:551     3.50    (#    551:9   Double Ambig)
 &rst
  ixpk= 551, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 250,
 igr2= 352, 252,
 &end
#
#   27 ALA  HN           23 GLU  HA          4.50    (#    552:9   Unique         1.93, 3.28 A)
 &rst
  ixpk= 552, nxpk= 9, iat= 419, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:553       0 AMB  9-1:553     4.20    (#    553:9   Double Ambig)
 &rst
  ixpk= 553, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  46, 567,
 igr2=  48, 562, 563,
 &end
#
#   16 GLU  HN            0 AMB  9-1:554     4.20    (#    554:9   Single Ambig)
 &rst
  ixpk= 554, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 218, 203,
 &end
#
#   35 GLY  HN           35 GLY  HA-         4.50    (#    555:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 555, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 562, 563,
 &end
#
#    0 AMB  9-2:556       0 AMB  9-1:556     4.20    (#    556:9   Double Ambig)
 &rst
  ixpk= 556, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 365, 294,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  9-2:557       0 AMB  9-1:557     4.50    (#    557:9   Double Ambig)
 &rst
  ixpk= 557, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 365, 294,
 igr2= 354, 355, 220, 221, 220, 221, 339, 340,
 &end
#
#   20 LEU  HN           20 LEU  HB-         3.50    (#    558:9   Unique         1.98, 2.62 A)
 &rst
  ixpk= 558, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   22 GLU  HN           22 GLU  HB+         2.80    (#    559:9   Unique         2.08, 2.53 A)
 &rst
  ixpk= 559, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 339, 340,
 &end
#
#   26 LYS  HN           29 ILE  QD1         5.20    (#    560:9   Unique         5.60, 6.50 A)
 &rst
  ixpk= 560, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#   20 LEU  HN           20 LEU  MDY         4.50    (#    561:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 561, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  HN            0 AMB  9-1:562     4.50    (#    562:9   Single Ambig)
 &rst
  ixpk= 562, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  HN           29 ILE  QD1         5.20    (#    563:9   Unique         4.28, 4.49 A)
 &rst
  ixpk= 563, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#   26 LYS  HN            0 AMB  9-1:564     5.60    (#    564:9   Single Ambig)
 &rst
  ixpk= 564, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 453, 454, 453, 454,
 &end
#
#   34 TRP  HZ2          32 THR  MG2         4.50    (#    565:9   Unique         2.94, 4.00 A)
 &rst
  ixpk= 565, nxpk= 9, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 508, 509, 510,
 &end
#
#   34 TRP  HE3          32 THR  MG2         4.20    (#    566:9   Unique         3.02, 4.36 A)
 &rst
  ixpk= 566, nxpk= 9, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 508, 509, 510,
 &end
#
#    9 TRP  HD1           7 THR  MG2         5.20    (#    567:9   Unique         2.64, 3.31 A)
 &rst
  ixpk= 567, nxpk= 9, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=  92,  93,  94,
 &end
#
#    9 TRP  HD1           0 AMB  9-1:568     4.50    (#    568:9   Single Ambig)
 &rst
  ixpk= 568, nxpk= 9, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 123, 124, 123, 124,
 &end
#
#    9 TRP  HE3           0 AMB  9-1:569     3.50    (#    569:9   Single Ambig)
 &rst
  ixpk= 569, nxpk= 9, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:570      31 VAL  MGX         4.20    (#    570:9   Single Ambig)
 &rst
  ixpk= 570, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 323, 324, 323, 324,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX           0 AMB  9-1:571     4.20    (#    571:9   Single Ambig)
 &rst
  ixpk= 571, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGX          10 VAL  MGY         2.80    (#    572:9   Unique )
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:573       0 AMB  9-1:573     2.20    (#    573:9   Double Ambig)
 &rst
  ixpk= 573, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 357, 358, 342, 343,  36,  37,  36,  37, 223, 224,
      
 igr2= 354, 355, 339, 340,  33,  34,  33,  34, 220, 221,
       220, 221,
 &end
#
#    4 GLN  HG-           4 GLN  HG+         2.20    (#    574:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:575       0 AMB  9-1:575     2.20    (#    575:9   Double Ambig)
 &rst
  ixpk= 575, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 354, 355, 339, 340,  33,  34,  33,  34, 220, 221,
       220, 221,
 igr2= 357, 358, 342, 343,  36,  37,  36,  37, 223, 224,
      
 &end
#
#    4 GLN  HG+           4 GLN  HG-         2.20    (#    576:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:577       0 AMB  9-1:577     5.20    (#    577:9   Double Ambig)
 &rst
  ixpk= 577, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  9-2:578       0 AMB  9-1:578     5.20    (#    578:9   Double Ambig)
 &rst
  ixpk= 578, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 472, 473, 472, 473,  72,  73,  72,  73,
 igr2= 466, 467,  69,  70,  69,  70,
 &end
#
#    7 THR  MG2           7 THR  HN          5.20    (#    581:9   Unique)
 &rst
  ixpk= 581, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  92,  93,  94,
 &end
#
#   31 VAL  MGX          24 ALA  HN          6.00    (#    583:9   Unique         2.85, 4.50 A)
 &rst
  ixpk= 583, nxpk= 9, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:584      23 GLU  HN          5.60    (#    584:9   Single Ambig)
 &rst
  ixpk= 584, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 &end
#
#   31 VAL  MGX          33 PHE  HZ          6.00    (#    585:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 585, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          33 PHE  HE          6.00    (#    587:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 587, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 526, 530,
 &end
#
#    5 VAL  MGY           6 ARG  HN          5.20    (#    588:9   Unique         2.25, 4.20 A)
 &rst
  ixpk= 588, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:590       0 AMB  9-1:590     2.20    (#    590:9   Double Ambig)
 &rst
  ixpk= 590, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 260, 261, 260, 261, 407, 408, 407, 408,
 igr2= 257, 258, 404, 405, 279, 280,
 &end
#
#   22 GLU  HG+          22 GLU  HG-         2.20    (#    591:9   Unique )
#This appears to be self-referential: ignoring
#
#    6 ARG  HN            5 VAL  MGY         5.20    (#    592:9   Unique         2.25, 4.20 A)
 &rst
  ixpk= 592, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:593       0 AMB  9-1:593     5.20    (#    593:9   Double Ambig)
 &rst
  ixpk= 593, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 526, 530, 555,
 igr2= 520, 521, 520, 521, 520, 521,
 &end
#
#   15 GLU  HG-          15 GLU  HA          5.20    (#    595:9   Unique         2.28, 3.07 A)
 &rst
  ixpk= 595, nxpk= 9, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#   29 ILE  HA            5 VAL  MGY         5.20    (#    597:9   Unique         2.68, 4.33 A)
 &rst
  ixpk= 597, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   24 ALA  HA           29 ILE  QD1         5.20    (#    598:9   Unique         2.00, 3.28 A)
 &rst
  ixpk= 598, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:599       0 AMB  9-1:599     2.80    (#    599:9   Double Ambig)
 &rst
  ixpk= 599, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  90, 506,
 igr2=  92,  93,  94, 508, 509, 510,
 &end
#
#   20 LEU  HA           31 VAL  MGX         5.20    (#    600:9   Unique         2.92, 4.57 A)
 &rst
  ixpk= 600, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   19 LYS  HA           19 LYS  HG-         5.20    (#    601:9   Unique)
 &rst
  ixpk= 601, nxpk= 9, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 279, 280,
 &end
#
#   15 GLU  HN           14 PRO  HB+         4.20    (#    602:9   Unique)
 &rst
  ixpk= 602, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 194, 195,
 &end
#
#   21 LYS  HN            0 AMB  9-1:603     5.20    (#    603:9   Single Ambig)
 &rst
  ixpk= 603, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:604       0 AMB  9-1:604     4.20    (#    604:9   Double Ambig)
 &rst
  ixpk= 604, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 294, 365,
 igr2= 301, 323, 324, 323, 324,
 &end
#
#   33 PHE  HD           10 VAL  HB          5.20    (#    605:9   Unique         4.21, 6.19 A)
 &rst
  ixpk= 605, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 524, 532,
 &end
#
#   26 LYS  HN           25 LYS  HG-         5.20    (#    606:9   Unique         2.05, 3.96 A)
 &rst
  ixpk= 606, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 382, 383,
 &end
#
#    0 AMB  9-2:607       0 AMB  9-1:607     4.50    (#    607:9   Double Ambig)
 &rst
  ixpk= 607, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 397,  29,
 igr2= 407, 408, 407, 408, 369, 370, 371, 449, 450, 451,
      
 &end
#
#   19 LYS  HN            0 AMB  9-1:608     4.50    (#    608:9   Single Ambig)
 &rst
  ixpk= 608, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 279, 280, 257, 258,
 &end
#
#   19 LYS  HN            0 AMB  9-1:609     5.20    (#    609:9   Single Ambig)
 &rst
  ixpk= 609, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 260, 261, 260, 261, 282, 283, 282, 283,
 &end
#
#   15 GLU  HN           15 GLU  HB+         4.20    (#    610:9   Unique         2.07, 2.80 A)
 &rst
  ixpk= 610, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 205, 206,
 &end
#
#    6 ARG  HN            5 VAL  HB          4.20    (#    611:9   Unique)
 &rst
  ixpk= 611, nxpk= 9, iat=  62,  50, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    6 ARG  HN            0 AMB  9-1:612     4.20    (#    612:9   Single Ambig)
 &rst
  ixpk= 612, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=  66,  67,  66,  67,
 &end
#
#   29 ILE  HN           27 ALA  MB          5.20    (#    613:9   Unique         2.65, 3.72 A)
 &rst
  ixpk= 613, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 423, 424, 425,
 &end
#
#   33 PHE  HD            0 AMB  9-1:614     5.20    (#    614:9   Single Ambig)
 &rst
  ixpk= 614, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 524, 532,
 igr2= 301, 323, 324, 323, 324,
 &end
#
#   33 PHE  HE            8 ILE  QD1         4.50    (#    615:9   Unique)
 &rst
  ixpk= 615, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 526, 530,
 igr2= 113, 114, 115,
 &end
#
#   33 PHE  HZ           31 VAL  HB          4.50    (#    616:9   Unique         3.22, 3.68 A)
 &rst
  ixpk= 616, nxpk= 9, iat= 528, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           31 VAL  HB          5.20    (#    617:9   Unique         1.98, 3.90 A)
 &rst
  ixpk= 617, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 526, 530,
 &end
#
#   35 GLY  HN           34 TRP  HB+         5.20    (#    618:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 618, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   35 GLY  HN           34 TRP  HB-         5.20    (#    619:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 619, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   20 LEU  HN           17 LEU  HA          5.60    (#    620:9   Unique         3.03, 3.36 A)
 &rst
  ixpk= 620, nxpk= 9, iat= 294, 233, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 LEU  HN           15 GLU  HB-         5.20    (#    621:9   Unique)
 &rst
  ixpk= 621, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 205, 206,
 &end
#
#   34 TRP  HN           34 TRP  HB+         5.20    (#    622:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 622, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   11 GLY  HN           11 GLY  HA-         4.20    (#    623:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 623, nxpk= 9, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 161, 162,
 &end
#
#   22 GLU  HN           24 ALA  MB          5.20    (#    624:9   Unique)
 &rst
  ixpk= 624, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 369, 370, 371,
 &end
#
#   15 GLU  HN           15 GLU  HG+         4.20    (#    625:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 625, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 208, 209,
 &end
#
#    4 GLN  HN            4 GLN  HG+         5.20    (#    626:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 626, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#    0 AMB  9-2:627      34 TRP  HB-         5.20    (#    627:9   Single Ambig)
 &rst
  ixpk= 627, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 555, 544,
 igr2= 540, 541,
 &end
#
#    6 ARG  HE            0 AMB  9-1:628     4.50    (#    628:9   Single Ambig)
 &rst
  ixpk= 628, nxpk= 9, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  72,  73,  72,  73,
 &end
#
#   34 TRP  HN           32 THR  MG2         6.00    (#    629:9   Unique         4.26, 5.60 A)
 &rst
  ixpk= 629, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 508, 509, 510,
 &end
#
#   35 GLY  HA+          35 GLY  HA-         2.20    (#    632:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HB+          28 ASN  HA          4.50    (#    633:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 633, nxpk= 9, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 433, 434,
 &end
#
#   28 ASN  HB-          28 ASN  HA          5.20    (#    634:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 634, nxpk= 9, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 433, 434,
 &end
#
#   34 TRP  HB-          36 ASP  HA          5.20    (#    635:9   Unique         3.45, 4.17 A)
 &rst
  ixpk= 635, nxpk= 9, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   27 ALA  MB           27 ALA  HA          4.50    (#    636:9   Unique         2.26, 2.66 A)
 &rst
  ixpk= 636, nxpk= 9, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 423, 424, 425,
 &end
#
#    0 AMB  9-2:637      25 LYS  HA          5.20    (#    637:9   Single Ambig)
 &rst
  ixpk= 637, nxpk= 9, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 379, 380, 379, 380,
 &end
#
#    7 THR  MG2           7 THR  HA          5.20    (#    638:9   Unique         2.52, 3.29 A)
 &rst
  ixpk= 638, nxpk= 9, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  92,  93,  94,
 &end
#
#   17 LEU  HB+          17 LEU  HA          4.20    (#    639:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 639, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 235, 236,
 &end
#
#   17 LEU  HB+          17 LEU  MDX         5.20    (#    640:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 640, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDX          17 LEU  HB+         5.20    (#    641:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 641, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   20 LEU  HG           20 LEU  MDX         3.50    (#    642:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 642, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  HG           10 VAL  MGX         4.20    (#    643:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 643, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDY          20 LEU  HG          2.20    (#    644:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 644, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGY           0 AMB  9-1:645     3.50    (#    645:9   Single Ambig)
 &rst
  ixpk= 645, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGX          20 LEU  HG          3.50    (#    646:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 646, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#    5 VAL  MGY          29 ILE  QG2         3.50    (#    647:9   Unique         3.49, 5.88 A)
 &rst
  ixpk= 647, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 449, 450, 451,
 &end
#
#   29 ILE  QD1          29 ILE  QG2         3.50    (#    648:9   Unique         3.05, 4.41 A)
 &rst
  ixpk= 648, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 456, 457, 458,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  9-2:649       8 ILE  QD1         4.50    (#    649:9   Single Ambig)
 &rst
  ixpk= 649, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 520, 521, 520, 521,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:652       0 AMB  9-1:652     5.20    (#    652:9   Double Ambig)
 &rst
  ixpk= 652, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
 igr1= 223, 224, 357, 358,
 igr2= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 &end
#
#    0 AMB  9-2:653      23 GLU  HG-         5.20    (#    653:9   Single Ambig)
 &rst
  ixpk= 653, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 453, 454, 453, 454,
 igr2= 357, 358,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:654     4.20    (#    654:9   Single Ambig)
 &rst
  ixpk= 654, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:655       0 AMB  9-1:655     5.20    (#    655:9   Double Ambig)
 &rst
  ixpk= 655, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 285, 286, 285, 286, 263, 264, 263, 264,
 igr2= 279, 280, 279, 280, 257, 258,
 &end
#
#    0 AMB  9-2:656       0 AMB  9-1:656     5.20    (#    656:9   Double Ambig)
 &rst
  ixpk= 656, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 285, 286, 285, 286, 520, 521,
 igr2= 279, 280, 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:657       0 AMB  9-1:657     5.20    (#    657:9   Double Ambig)
 &rst
  ixpk= 657, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 279, 280, 240, 241, 242, 244, 245, 246,
 igr2= 285, 286, 285, 286, 520, 521,
 &end
#
#    0 AMB  9-2:658       0 AMB  9-1:658     4.20    (#    658:9   Double Ambig)
 &rst
  ixpk= 658, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 279, 280, 279, 280, 257, 258,
 igr2= 285, 286, 285, 286, 263, 264, 263, 264,
 &end
#
#   28 ASN  HB-          29 ILE  HB          6.00    (#    659:9   Unique         5.66, 6.47 A)
 &rst
  ixpk= 659, nxpk= 9, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 433, 434,
 &end
#
#    7 THR  HN            7 THR  MG2         5.20    (#    660:9   Unique)
 &rst
  ixpk= 660, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=  92,  93,  94,
 &end
#
#   23 GLU  HG-          27 ALA  MB          5.20    (#    663:9   Unique         2.05, 5.98 A)
 &rst
  ixpk= 663, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 357, 358,
 igr2= 423, 424, 425,
 &end
#
#   27 ALA  MB           23 GLU  HG-         5.20    (#    664:9   Unique         2.05, 5.98 A)
 &rst
  ixpk= 664, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:665      31 VAL  MGX         5.60    (#    665:9   Single Ambig)
 &rst
  ixpk= 665, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 110, 111, 110, 111,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:666      20 LEU  MDX         5.60    (#    666:9   Single Ambig)
 &rst
  ixpk= 666, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 110, 111, 110, 111,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX           0 AMB  9-1:667     5.60    (#    667:9   Single Ambig)
 &rst
  ixpk= 667, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 110, 111, 110, 111,
 &end
#
#   20 LEU  MDX           0 AMB  9-1:668     5.60    (#    668:9   Single Ambig)
 &rst
  ixpk= 668, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 110, 111, 110, 111,
 &end
#
#   22 GLU  HG-          22 GLU  HG+         2.20    (#    669:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HG           17 LEU  MDX         5.20    (#    670:9   Unique)
 &rst
  ixpk= 670, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   29 ILE  QD1           0 AMB  9-1:671     2.20    (#    671:9   Single Ambig)
 &rst
  ixpk= 671, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 456, 457, 458,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:672      29 ILE  QD1         2.20    (#    672:9   Single Ambig)
 &rst
  ixpk= 672, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 453, 454, 453, 454,
 igr2= 456, 457, 458,
 &end
#
#    8 ILE  QG2           5 VAL  MGY         6.00    (#    673:9   Unique)
 &rst
  ixpk= 673, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 106, 107, 108,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGY           8 ILE  QG2         6.00    (#    674:9   Unique)
 &rst
  ixpk= 674, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 106, 107, 108,
 &end
#
#   31 VAL  MGY          24 ALA  MB          3.50    (#    675:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 675, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 369, 370, 371,
 &end
#
#   20 LEU  MDY          20 LEU  HB+         3.50    (#    676:9   Unique)
 &rst
  ixpk= 676, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 298, 299,
 &end
#
#   20 LEU  HB+          20 LEU  MDY         3.50    (#    677:9   Unique)
 &rst
  ixpk= 677, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   23 GLU  HG+          23 GLU  HG-         2.20    (#    678:9   Unique)
#This appears to be self-referential: ignoring
#
#   23 GLU  HG-          23 GLU  HG+         2.20    (#    679:9   Unique)
#This appears to be self-referential: ignoring
#
#   29 ILE  QG2           5 VAL  MGY         3.50    (#    680:9   Unique)
 &rst
  ixpk= 680, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 449, 450, 451,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:681       0 AMB  9-1:681     4.20    (#    681:9   Double Ambig)
 &rst
  ixpk= 681, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 220, 221, 220, 221, 379, 380, 379, 380,
 igr2= 298, 299, 298, 299, 382, 383, 382, 383,
 &end
#
#    0 AMB  9-2:682       0 AMB  9-1:682     3.50    (#    682:9   Double Ambig)
 &rst
  ixpk= 682, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 382, 383, 382, 383, 320, 321,
 igr2= 379, 380, 379, 380,
 &end
#
#   17 LEU  HN           17 LEU  HB+         5.20    (#    683:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 683, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 235, 236,
 &end
#
#   31 VAL  HN           30 ARG  HA          2.20    (#    684:9   Unique         2.23, 2.23 A)
 &rst
  ixpk= 684, nxpk= 9, iat= 486, 464, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  9-2:685      22 GLU  HA          4.50    (#    685:9   Single Ambig)
 &rst
  ixpk= 685, nxpk= 9, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 401, 402, 401, 402,
 &end
#
#   32 THR  HB            0 AMB  9-1:686     5.20    (#    686:9   Double Ambig)
 &rst
  ixpk= 686, nxpk= 9, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:687      32 THR  HB          5.20    (#    687:9   Double Ambig)
 &rst
  ixpk= 687, nxpk= 9, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 110, 111, 110, 111,
 &end
#
#   31 VAL  MGX          20 LEU  HA          5.20    (#    688:9   Unique         2.92, 4.57 A)
 &rst
  ixpk= 688, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  HB            5 VAL  HA          4.20    (#    689:9   Unique         2.41, 2.78 A)
 &rst
  ixpk= 689, nxpk= 9, iat=  50,  48, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    8 ILE  QG2           7 THR  HB          5.20    (#    690:9   Unique         5.16, 6.11 A)
 &rst
  ixpk= 690, nxpk= 9, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 106, 107, 108,
 &end
#
#    7 THR  HB            8 ILE  QG2         5.20    (#    691:9   Unique         5.16, 6.11 A)
 &rst
  ixpk= 691, nxpk= 9, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 106, 107, 108,
 &end
#
#   31 VAL  HB            0 AMB  9-1:692     3.50    (#    692:9   Double Ambig)
 &rst
  ixpk= 692, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 110, 111, 110, 111,
 &end
#
#    5 VAL  HN            5 VAL  MGX         4.20    (#    693:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 693, nxpk= 9, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    9 TRP  HN            8 ILE  QD1         4.50    (#    694:9   Unique)
 &rst
  ixpk= 694, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   19 LYS  HN           20 LEU  HG          5.60    (#    695:9   Unique         5.67, 5.99 A)
 &rst
  ixpk= 695, nxpk= 9, iat= 272, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:696       0 AMB  9-1:696     5.20    (#    696:9   Double Ambig)
 &rst
  ixpk= 696, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=  75, 553,
 igr2= 456, 457, 458, 508, 509, 510,
 &end
#
#   33 PHE  HD           31 VAL  MGY         5.20    (#    697:9   Unique         4.13, 6.58 A)
 &rst
  ixpk= 697, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGY          33 PHE  HZ          5.20    (#    698:9   Unique)
 &rst
  ixpk= 698, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   29 ILE  HN            5 VAL  MGY         5.20    (#    699:9   Unique         4.17, 6.55 A)
 &rst
  ixpk= 699, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  HN           20 LEU  HG          5.60    (#    700:9   Unique         3.91, 4.60 A)
 &rst
  ixpk= 700, nxpk= 9, iat= 231, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   27 ALA  HN            0 AMB  9-1:701     5.60    (#    701:9   Double Ambig)
 &rst
  ixpk= 701, nxpk= 9, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 453, 454, 453, 454,
 &end
#
#   30 ARG  HN            0 AMB  9-1:702     5.20    (#    702:9   Single Ambig)
 &rst
  ixpk= 702, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:703       0 AMB  9-1:703     5.20    (#    703:9   Double Ambig)
 &rst
  ixpk= 703, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 159, 536,
 igr2= 179, 180, 181, 113, 114, 115,
 &end
#
#   23 GLU  HN            0 AMB  9-1:705     5.60    (#    705:9   Single Ambig)
 &rst
  ixpk= 705, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 274, 296,
 &end
#
#   32 THR  HA           32 THR  HB          5.20    (#    706:9   Unique         3.05, 3.06 A)
 &rst
  ixpk= 706, nxpk= 9, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:707      27 ALA  MB          4.20    (#    707:9   Single Ambig)
 &rst
  ixpk= 707, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 367, 399,
 igr2= 423, 424, 425,
 &end
#
#    8 ILE  QG2          10 VAL  MGX         4.50    (#    708:9   Unique         5.11, 6.78 A)
 &rst
  ixpk= 708, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 106, 107, 108,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGX           8 ILE  QG2         4.50    (#    709:9   Unique         5.11, 6.78 A)
 &rst
  ixpk= 709, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#   34 TRP  HH2          32 THR  HB          5.20    (#    710:9   Unique         2.70, 2.99 A)
 &rst
  ixpk= 710, nxpk= 9, iat= 551, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   25 LYS  HN           25 LYS  HA          5.20    (#    711:9   Unique         2.80, 2.85 A)
 &rst
  ixpk= 711, nxpk= 9, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    7 THR  HN            7 THR  HB          4.50    (#    713:9   Unique         2.13, 2.24 A)
 &rst
  ixpk= 713, nxpk= 9, iat=  86,  90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HN           20 LEU  HA          5.20    (#    714:9   Unique         3.61, 3.63 A)
 &rst
  ixpk= 714, nxpk= 9, iat= 313, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   20 LEU  HN           20 LEU  HA          5.20    (#    715:9   Unique         2.66, 2.70 A)
 &rst
  ixpk= 715, nxpk= 9, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:716       0 AMB  9-1:716     4.50    (#    716:9   Double Ambig)
 &rst
  ixpk= 716, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 419, 272,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
      
 &end
#
#   25 LYS  HN           23 GLU  HA          5.20    (#    717:9   Unique)
 &rst
  ixpk= 717, nxpk= 9, iat= 375, 352, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HN           28 ASN  HB+         5.20    (#    718:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 718, nxpk= 9, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 433, 434,
 &end
#
#   32 THR  HA           33 PHE  HD          5.60    (#    719:9   Unique)
 &rst
  ixpk= 719, nxpk= 9, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#    6 ARG  HG+           7 THR  HN          4.50    (#    720:9   Unique         2.43, 4.46 A)
 &rst
  ixpk= 720, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#    0 AMB  9-2:721      19 LYS  HN          5.20    (#    721:9   Single Ambig)
 &rst
  ixpk= 721, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 282, 283, 282, 283,
 &end
#
#   32 THR  HB           34 TRP  HE3         5.60    (#    723:9   Unique         3.39, 3.63 A)
 &rst
  ixpk= 723, nxpk= 9, iat= 506, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:724      19 LYS  HN          4.20    (#    724:9   Single Ambig)
 &rst
  ixpk= 724, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 276, 277, 276, 277,
 &end
#
#    7 THR  HB            8 ILE  HN          5.60    (#    725:9   Unique         4.19, 4.34 A)
 &rst
  ixpk= 725, nxpk= 9, iat=  90, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:726       0 AMB  9-1:726     4.50    (#    726:9   Double Ambig)
 &rst
  ixpk= 726, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
      
 igr2= 419, 272,
 &end
#
#   28 ASN  HB-          28 ASN  HD2-        5.20    (#    727:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 727, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   28 ASN  HD2+         28 ASN  HB+         5.60    (#    728:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 728, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 438, 439,
 igr2= 433, 434,
 &end
#
#   33 PHE  HD           17 LEU  MDX         5.20    (#    729:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 729, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:730       0 AMB  9-1:730     5.20    (#    730:9   Double Ambig)
 &rst
  ixpk= 730, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 555, 544,
 igr2= 540, 541, 540, 541,
 &end
#
#   34 TRP  HZ3          34 TRP  HB+         5.20    (#    731:9   Unique         4.84, 5.58 A)
 &rst
  ixpk= 731, nxpk= 9, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   28 ASN  HN           28 ASN  HB-         4.50    (#    732:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 732, nxpk= 9, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 433, 434,
 &end
#
#   10 VAL  HA           10 VAL  MGX         4.50    (#    733:9   Unique         2.45, 3.45 A)
 &rst
  ixpk= 733, nxpk= 9, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   19 LYS  HN            0 AMB  9-1:734     4.50    (#    734:9   Single Ambig)
 &rst
  ixpk= 734, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:735       0 AMB  9-1:735     4.20    (#    735:9   Double Ambig)
 &rst
  ixpk= 735, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 201, 119,
 igr2= 205, 206, 123, 124, 123, 124,
 &end
#
#    9 TRP  HN            0 AMB  9-1:736     4.20    (#    736:9   Single Ambig)
 &rst
  ixpk= 736, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 110, 111, 110, 111,
 &end
#
#    4 GLN  HN            4 GLN  HG-         5.20    (#    737:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 737, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#   16 GLU  HN           16 GLU  HG+         3.50    (#    738:9   Unique         1.89, 2.97 A)
 &rst
  ixpk= 738, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 223, 224,
 &end
#
#   22 GLU  HN            0 AMB  9-1:739     4.50    (#    739:9   Single Ambig)
 &rst
  ixpk= 739, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 317, 318, 317, 318,
 &end
#
#   22 GLU  HN           22 GLU  HG-         4.20    (#    740:9   Unique)
 &rst
  ixpk= 740, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 342, 343,
 &end
#
#   17 LEU  HA           17 LEU  HB-         5.60    (#    741:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 741, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB-          17 LEU  HA          5.20    (#    742:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 742, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 235, 236,
 &end
#
#   32 THR  HN            8 ILE  QD1         4.50    (#    743:9   Unique         2.21, 3.82 A)
 &rst
  ixpk= 743, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   20 LEU  MDY          20 LEU  HA          5.20    (#    744:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 744, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX          20 LEU  HB+         5.20    (#    745:9   Unique         2.62, 5.31 A)
 &rst
  ixpk= 745, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 298, 299,
 &end
#
#   20 LEU  HB+          31 VAL  MGX         5.20    (#    746:9   Unique         2.62, 5.31 A)
 &rst
  ixpk= 746, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 298, 299,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  HA            5 VAL  HB          4.50    (#    747:9   Unique         2.41, 2.78 A)
 &rst
  ixpk= 747, nxpk= 9, iat=  48,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HA            0 AMB  9-1:748     4.50    (#    748:9   Single Ambig)
 &rst
  ixpk= 748, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:749      21 LYS  HA          5.20    (#    749:9   Single Ambig)
 &rst
  ixpk= 749, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 317, 318, 317, 318,
 &end
#
#   10 VAL  MGY           8 ILE  QG2         6.00    (#    750:9   Unique)
 &rst
  ixpk= 750, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#   34 TRP  HN           33 PHE  HA          5.20    (#    751:9   Unique         2.19, 2.20 A)
 &rst
  ixpk= 751, nxpk= 9, iat= 536, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HN           11 GLY  HA+         5.20    (#    752:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 752, nxpk= 9, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 161, 162,
 &end
#
#    0 AMB  9-2:753       8 ILE  HN          5.60    (#    753:9   Single Ambig)
 &rst
  ixpk= 753, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 119,  86,
 &end
#
#    9 TRP  HN            0 AMB  9-1:754     6.00    (#    754:9   Single Ambig)
 &rst
  ixpk= 754, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 159, 536,
 &end
#
#    8 ILE  HN            0 AMB  9-1:755     5.60    (#    755:9   Single Ambig)
 &rst
  ixpk= 755, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 119,  86,
 &end
#
#    0 AMB  9-2:756       9 TRP  HN          6.00    (#    756:9   Single Ambig)
 &rst
  ixpk= 756, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 159, 536,
 &end
#
#    9 TRP  HD1           9 TRP  HN          5.60    (#    757:9   Unique         3.85, 4.08 A)
 &rst
  ixpk= 757, nxpk= 9, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   34 TRP  HD1          35 GLY  HN          5.60    (#    758:9   Unique         3.56, 3.81 A)
 &rst
  ixpk= 758, nxpk= 9, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 VAL  HN            9 TRP  HN          5.20    (#    759:9   Unique         3.92, 4.00 A)
 &rst
  ixpk= 759, nxpk= 9, iat= 143, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   24 ALA  HN           31 VAL  MGX         6.00    (#    761:9   Unique         2.85, 4.50 A)
 &rst
  ixpk= 761, nxpk= 9, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   24 ALA  HN           22 GLU  HA          5.20    (#    762:9   Unique         3.71, 3.81 A)
 &rst
  ixpk= 762, nxpk= 9, iat= 365, 337, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HN           28 ASN  HA          5.20    (#    763:9   Unique         3.55, 3.60 A)
 &rst
  ixpk= 763, nxpk= 9, iat= 443, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HN           29 ILE  HA          5.20    (#    764:9   Unique         2.64, 2.66 A)
 &rst
  ixpk= 764, nxpk= 9, iat= 443, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:765       0 AMB  9-1:765     4.50    (#    765:9   Double Ambig)
 &rst
  ixpk= 765, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 335, 173,
 igr2= 337, 177,
 &end
#
#    6 ARG  HA            0 AMB  9-1:766     5.20    (#    766:9   Single Ambig)
 &rst
  ixpk= 766, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=  66,  67,  66,  67,
 &end
#
#    6 ARG  HA            6 ARG  HG-         5.20    (#    767:9   Unique         2.01, 3.55 A)
 &rst
  ixpk= 767, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  69,  70,
 &end
#
#   25 LYS  HA           25 LYS  HG-         5.20    (#    768:9   Unique         2.16, 3.38 A)
 &rst
  ixpk= 768, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 382, 383,
 &end
#
#   25 LYS  HA           25 LYS  HG+         5.60    (#    769:9   Unique         2.16, 3.38 A)
 &rst
  ixpk= 769, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 382, 383,
 &end
#
#    0 AMB  9-2:770       0 AMB  9-1:770     2.80    (#    770:9   Double Ambig)
 &rst
  ixpk= 770, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  72,  73,  72,  73, 472, 473, 472, 473,
 igr2=  69,  70, 469, 470, 469, 470,
 &end
#
#   21 LYS  HA            0 AMB  9-1:771     4.20    (#    771:9   Single Ambig)
 &rst
  ixpk= 771, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 320, 321, 320, 321,
 &end
#
#   20 LEU  HG           19 LYS  HN          5.60    (#    773:9   Unique         5.67, 5.99 A)
 &rst
  ixpk= 773, nxpk= 9, iat= 301, 272, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   27 ALA  MB           28 ASN  HN          4.20    (#    774:9   Unique         1.95, 3.16 A)
 &rst
  ixpk= 774, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 423, 424, 425,
 &end
#
#    0 AMB  9-2:775      20 LEU  MDX         4.50    (#    775:9   Single Ambig)
 &rst
  ixpk= 775, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 490, 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    8 ILE  QD1           8 ILE  HB          2.20    (#    777:9   Unique         2.10, 2.82 A)
 &rst
  ixpk= 777, nxpk= 9, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 113, 114, 115,
 &end
#
#   27 ALA  MB           29 ILE  QD1         5.20    (#    778:9   Unique         2.76, 5.47 A)
 &rst
  ixpk= 778, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 423, 424, 425,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:780      17 LEU  HB-         5.20    (#    780:9   Single Ambig)
 &rst
  ixpk= 780, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 238, 320, 321, 320, 321,
 igr2= 235, 236,
 &end
#
#    0 AMB  9-2:781       0 AMB  9-1:781     4.20    (#    781:9   Double Ambig)
 &rst
  ixpk= 781, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 285, 286, 285, 286, 285, 286,
 igr2= 282, 283, 282, 283, 282, 283,
 &end
#
#    9 TRP  HH2           9 TRP  HZ3         4.20    (#    782:9   Unique         2.44, 2.44 A)
 &rst
  ixpk= 782, nxpk= 9, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    9 TRP  HZ3           9 TRP  HH2         4.20    (#    783:9   Unique         2.44, 2.44 A)
 &rst
  ixpk= 783, nxpk= 9, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    9 TRP  HZ3          34 TRP  HD1         4.20    (#    784:9   Unique)
 &rst
  ixpk= 784, nxpk= 9, iat= 136, 544, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HD1           9 TRP  HZ3         4.20    (#    785:9   Unique)
 &rst
  ixpk= 785, nxpk= 9, iat= 544, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HZ3          34 TRP  HE3         5.20    (#    786:9   Unique         2.49, 2.49 A)
 &rst
  ixpk= 786, nxpk= 9, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   17 LEU  MDY          33 PHE  HE          5.60    (#    787:9   Unique         2.07, 4.84 A)
 &rst
  ixpk= 787, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 526, 530,
 &end
#
#   13 THR  HB           16 GLU  HN          4.50    (#    789:9   Unique         3.28, 3.78 A)
 &rst
  ixpk= 789, nxpk= 9, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HN           21 LYS  HA          4.50    (#    790:9   Unique         2.70, 2.75 A)
 &rst
  ixpk= 790, nxpk= 9, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASN  HB+          29 ILE  HN          5.20    (#    791:9   Unique         2.37, 3.20 A)
 &rst
  ixpk= 791, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 433, 434,
 &end
#
#    0 AMB  9-2:792       0 AMB  9-1:792     5.20    (#    792:9   Double Ambig)
 &rst
  ixpk= 792, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 223, 224, 357, 358,
 igr2= 294, 365,
 &end
#
#   25 LYS  HG-          26 LYS  HN          5.20    (#    793:9   Unique         2.05, 3.96 A)
 &rst
  ixpk= 793, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 382, 383,
 &end
#
#   18 LYS  HN           16 GLU  HG+         5.20    (#    794:9   Unique         4.36, 4.87 A)
 &rst
  ixpk= 794, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 223, 224,
 &end
#
#   33 PHE  HE           17 LEU  HG          5.20    (#    795:9   Unique         3.20, 5.22 A)
 &rst
  ixpk= 795, nxpk= 9, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 526, 530,
 &end
#
#    9 TRP  HZ3          11 GLY  HA-         5.20    (#    797:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 797, nxpk= 9, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 161, 162,
 &end
#
#   33 PHE  HD           17 LEU  HA          5.60    (#    798:9   Unique         4.81, 5.87 A)
 &rst
  ixpk= 798, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 524, 532,
 &end
#
#    4 GLN  HA            5 VAL  MGY         5.60    (#    799:9   Unique         3.36, 5.97 A)
 &rst
  ixpk= 799, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   13 THR  HA           13 THR  MG2         5.20    (#    800:9   Unique         2.02, 2.93 A)
 &rst
  ixpk= 800, nxpk= 9, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 179, 180, 181,
 &end
#
#   13 THR  HB           20 LEU  MDX         6.00    (#    801:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 801, nxpk= 9, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:802      20 LEU  MDY         5.60    (#    802:9   Single Ambig)
 &rst
  ixpk= 802, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1=  72,  73,  72,  73,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:803       0 AMB  9-1:803     3.50    (#    803:9   Double Ambig)
 &rst
  ixpk= 803, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 407, 408, 407, 408, 260, 261, 260, 261, 407, 408,
      
 igr2= 399, 252, 352, 203,
 &end
#
#   24 ALA  MB           24 ALA  HA          4.20    (#    804:9   Unique         2.24, 2.66 A)
 &rst
  ixpk= 804, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:805       0 AMB  9-1:805     2.20    (#    805:9   Double Ambig)
 &rst
  ixpk= 805, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
      
 igr2= 352, 252, 399,
 &end
#
#    0 AMB  9-2:806       0 AMB  9-1:806     3.50    (#    806:9   Double Ambig)
 &rst
  ixpk= 806, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=  69,  70, 469, 470, 469, 470,
 igr2=  72,  73,  72,  73, 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:808       0 AMB  9-1:808     4.20    (#    808:9   Double Ambig)
 &rst
  ixpk= 808, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 282, 283, 282, 283, 282, 283,
 igr2= 285, 286, 285, 286, 285, 286,
 &end
#
#   29 ILE  QD1          24 ALA  HA          4.50    (#    809:9   Unique         2.00, 3.28 A)
 &rst
  ixpk= 809, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#   27 ALA  HA           28 ASN  HN          4.20    (#    810:9   Unique         2.21, 3.51 A)
 &rst
  ixpk= 810, nxpk= 9, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   35 GLY  HA+          35 GLY  HN          4.50    (#    811:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 811, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 562, 563,
 &end
#
#   31 VAL  MGY          32 THR  HN          5.20    (#    813:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 813, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          20 LEU  MDX         3.50    (#    814:9   Unique         1.98, 4.64 A)
 &rst
  ixpk= 814, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          31 VAL  MGX         3.50    (#    815:9   Unique         1.98, 4.64 A)
 &rst
  ixpk= 815, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  MGX           0 AMB  9-1:816     5.20    (#    816:9   Single Ambig)
 &rst
  ixpk= 816, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 472, 473, 472, 473,
 &end
#
#   30 ARG  HE            0 AMB  9-1:819     5.60    (#    819:9   Single Ambig)
 &rst
  ixpk= 819, nxpk= 9, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 472, 473, 472, 473,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:820     5.60    (#    820:9   Single Ambig)
 &rst
  ixpk= 820, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  9-2:821      20 LEU  MDY         4.20    (#    821:9   Single Ambig)
 &rst
  ixpk= 821, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 490, 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:822     4.20    (#    822:9   Single Ambig)
 &rst
  ixpk= 822, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 490, 298, 299,
 &end
#
#    0 AMB  9-2:823       0 AMB  9-1:823     2.80    (#    823:9   Double Ambig)
 &rst
  ixpk= 823, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 254, 255, 254, 255, 401, 402, 401, 402, 254, 255,
      
 &end
#
#   15 GLU  HG-          15 GLU  HB-         3.50    (#    824:9   Unique         2.64, 5.56 A)
 &rst
  ixpk= 824, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 208, 209,
 igr2= 205, 206,
 &end
#
#   15 GLU  HB-          15 GLU  HG-         3.50    (#    825:9   Unique         2.64, 5.56 A)
 &rst
  ixpk= 825, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 205, 206,
 igr2= 208, 209,
 &end
#
#   21 LYS  HA           22 GLU  HB+         5.60    (#    826:9   Unique         5.53, 5.84 A)
 &rst
  ixpk= 826, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 339, 340,
 &end
#
#   22 GLU  HB+          21 LYS  HA          5.60    (#    827:9   Unique         5.53, 5.84 A)
 &rst
  ixpk= 827, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 339, 340,
 &end
#
#   23 GLU  HG-          23 GLU  HA          4.20    (#    828:9   Unique)
 &rst
  ixpk= 828, nxpk= 9, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 357, 358,
 &end
#
#    0 AMB  9-2:829       0 AMB  9-1:829     4.50    (#    829:9   Double Ambig)
 &rst
  ixpk= 829, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 357, 358, 208, 209, 342, 343,
 igr2= 352, 203,
 &end
#
#   17 LEU  HB+          33 PHE  HZ          5.60    (#    832:9   Unique         4.63, 5.83 A)
 &rst
  ixpk= 832, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 235, 236,
 &end
#
#    0 AMB  9-2:834       0 AMB  9-1:834     5.20    (#    834:9   Double Ambig)
 &rst
  ixpk= 834, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 337, 177,
 igr2= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:835       0 AMB  9-1:835     5.20    (#    835:9   Double Ambig)
 &rst
  ixpk= 835, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 323, 324, 323, 324, 301,
 igr2= 337, 177,
 &end
#
#    5 VAL  MGY          29 ILE  HA          5.20    (#    836:9   Unique         2.68, 4.33 A)
 &rst
  ixpk= 836, nxpk= 9, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  HA           17 LEU  MDY         5.60    (#    837:9   Unique         1.99, 3.74 A)
 &rst
  ixpk= 837, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDY          17 LEU  HA          5.60    (#    838:9   Unique         1.99, 3.74 A)
 &rst
  ixpk= 838, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:841       0 AMB  9-1:841     5.20    (#    841:9   Double Ambig)
 &rst
  ixpk= 841, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1= 354, 355, 407, 408,
 igr2= 357, 358, 357, 358,
 &end
#
#    0 AMB  9-2:842       0 AMB  9-1:842     5.60    (#    842:9   Double Ambig)
 &rst
  ixpk= 842, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 357, 358, 357, 358,
 igr2= 354, 355, 407, 408,
 &end
#
#   19 LYS  HG-          19 LYS  HA          4.50    (#    843:9   Unique)
 &rst
  ixpk= 843, nxpk= 9, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 279, 280,
 &end
#
#    0 AMB  9-2:844       0 AMB  9-1:844     4.20    (#    844:9   Double Ambig)
 &rst
  ixpk= 844, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  92,  93,  94, 508, 509, 510,
 igr2=  90, 506,
 &end
#
#   29 ILE  HB            6 ARG  HG-         4.50    (#    845:9   Unique)
 &rst
  ixpk= 845, nxpk= 9, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  69,  70,
 &end
#
#    6 ARG  HG-          29 ILE  HB          4.50    (#    846:9   Unique)
 &rst
  ixpk= 846, nxpk= 9, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#   17 LEU  MDY          17 LEU  HB-         5.60    (#    847:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 847, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB-          17 LEU  MDY         4.20    (#    848:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 848, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   27 ALA  MB            4 GLN  HG-         5.20    (#    849:9   Unique         3.09, 5.10 A)
 &rst
  ixpk= 849, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2=  36,  37,
 &end
#
#    4 GLN  HG-          27 ALA  MB          5.20    (#    850:9   Unique         3.09, 5.10 A)
 &rst
  ixpk= 850, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  36,  37,
 igr2= 423, 424, 425,
 &end
#
#   32 THR  MG2           0 AMB  9-1:851     5.60    (#    851:9   Double Ambig)
 &rst
  ixpk= 851, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 508, 509, 510,
 igr2= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:852      17 LEU  HA          5.20    (#    852:9   Single Ambig)
 &rst
  ixpk= 852, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 301, 323, 324, 323, 324,
 &end
#
#   32 THR  MG2           0 AMB  9-1:853     5.20    (#    853:9   Single Ambig)
 &rst
  ixpk= 853, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 508, 509, 510,
 igr2= 520, 521, 520, 521,
 &end
#
#   29 ILE  HN           27 ALA  HN          5.20    (#    854:9   Unique         4.26, 4.39 A)
 &rst
  ixpk= 854, nxpk= 9, iat= 443, 419, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HB-           0 AMB  9-1:855     5.60    (#    855:9   Single Ambig)
 &rst
  ixpk= 855, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1= 540, 541,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:856       0 AMB  9-1:856     5.60    (#    856:9   Double Ambig)
 &rst
  ixpk= 856, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.06, r4=12.56,
 igr1=  72,  73,  72,  73,  72,  73, 472, 473, 472, 473,
      
 igr2=  66,  67,  66,  67,  66,  67, 466, 467, 466, 467,
      
 &end
#
#    0 AMB  9-2:857       0 AMB  9-1:857     5.20    (#    857:9   Double Ambig)
 &rst
  ixpk= 857, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 252, 399, 218,
 igr2= 257, 258, 404, 405, 257, 258,
 &end
#
#    0 AMB  9-2:858       0 AMB  9-1:858     5.60    (#    858:9   Double Ambig)
 &rst
  ixpk= 858, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=  31, 175,
 igr2=  36,  37, 208, 209, 223, 224,
 &end
#
#   23 GLU  HA           23 GLU  HG+         5.20    (#    859:9   Unique         2.01, 2.98 A)
 &rst
  ixpk= 859, nxpk= 9, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:860       0 AMB  9-1:860     5.20    (#    860:9   Double Ambig)
 &rst
  ixpk= 860, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 220, 221, 220, 221, 339, 340,
 igr2= 177, 337,
 &end
#
#    0 AMB  9-2:861      21 LYS  HA          5.20    (#    861:9   Single Ambig)
 &rst
  ixpk= 861, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 320, 321, 320, 321,
 &end
#
#   27 ALA  MB            0 AMB  9-1:862     5.20    (#    862:9   Single Ambig)
 &rst
  ixpk= 862, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2= 367, 399,
 &end
#
#    8 ILE  QD1          10 VAL  MGX         4.20    (#    863:9   Unique)
 &rst
  ixpk= 863, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 113, 114, 115,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   22 GLU  HA           22 GLU  HG+         5.20    (#    864:9   Unique         2.18, 2.97 A)
 &rst
  ixpk= 864, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 342, 343,
 &end
#
#    0 AMB  9-2:865       0 AMB  9-1:865     3.50    (#    865:9   Double Ambig)
 &rst
  ixpk= 865, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 177, 337,
 igr2= 220, 221, 220, 221, 339, 340,
 &end
#
#   31 VAL  HN           29 ILE  QD1         5.60    (#    867:9   Unique         3.90, 5.29 A)
 &rst
  ixpk= 867, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457, 458,
 &end
#
#   26 LYS  HN           22 GLU  HA          5.60    (#    869:9   Unique         3.27, 3.66 A)
 &rst
  ixpk= 869, nxpk= 9, iat= 397, 337, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:870       0 AMB  9-1:870     5.20    (#    870:9   Double Ambig)
 &rst
  ixpk= 870, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 294, 365,
 igr2= 218, 352,
 &end
#
#   29 ILE  HN           24 ALA  HA          5.20    (#    871:9   Unique         3.89, 4.30 A)
 &rst
  ixpk= 871, nxpk= 9, iat= 443, 367, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:872       0 AMB  9-1:872     4.50    (#    872:9   Double Ambig)
 &rst
  ixpk= 872, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 173, 166,
 igr2= 168, 169, 168, 169,
 &end
#
#   16 GLU  HN           13 THR  HB          5.20    (#    873:9   Unique         3.28, 3.78 A)
 &rst
  ixpk= 873, nxpk= 9, iat= 216, 177, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:874       2 SER  HN          5.60    (#    874:9   Single Ambig)
 &rst
  ixpk= 874, nxpk= 9, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  15,  16,  15,  16,
 &end
#
#   10 VAL  HB            0 AMB  9-1:877     5.20    (#    877:9   Single Ambig)
 &rst
  ixpk= 877, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 159, 536,
 &end
#
#    5 VAL  HB           30 ARG  HN          5.60    (#    878:9   Unique         3.92, 4.71 A)
 &rst
  ixpk= 878, nxpk= 9, iat=  50, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 LEU  HA           33 PHE  HD          5.60    (#    881:9   Unique         4.81, 5.87 A)
 &rst
  ixpk= 881, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#   17 LEU  MDX          33 PHE  HD          5.60    (#    882:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 882, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 524, 532,
 &end
#
#    8 ILE  QG2           0 AMB  9-1:885     5.60    (#    885:9   Single Ambig)
 &rst
  ixpk= 885, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 106, 107, 108,
 igr2=  86, 119,
 &end
#
#   17 LEU  MDY          33 PHE  HD          5.60    (#    887:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 887, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:888       8 ILE  HN          5.60    (#    888:9   Single Ambig)
 &rst
  ixpk= 888, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 110, 111, 110, 111,
 &end
#
#    5 VAL  MGY           4 GLN  HN          5.60    (#    889:9   Unique         2.36, 5.43 A)
 &rst
  ixpk= 889, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:890      33 PHE  HD          5.60    (#    890:9   Single Ambig)
 &rst
  ixpk= 890, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 238, 298, 299,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:891      25 LYS  HN          5.20    (#    891:9   Single Ambig)
 &rst
  ixpk= 891, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 401, 402, 401, 402,
 &end
#
#   10 VAL  HB           33 PHE  HD          4.50    (#    894:9   Unique         4.21, 6.19 A)
 &rst
  ixpk= 894, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:895       6 ARG  HE          5.60    (#    895:9   Single Ambig)
 &rst
  ixpk= 895, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  66,  67,  66,  67,
 &end
#
#    6 ARG  HG+           6 ARG  HE          5.60    (#    896:9   Unique         2.07, 2.97 A)
 &rst
  ixpk= 896, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  69,  70,
 &end
#
#    8 ILE  QD1          32 THR  HN          4.50    (#    898:9   Unique)
 &rst
  ixpk= 898, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 113, 114, 115,
 &end
#
#   24 ALA  MB           22 GLU  HN          5.20    (#    899:9   Unique)
 &rst
  ixpk= 899, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 369, 370, 371,
 &end
#
#   30 ARG  HG-          30 ARG  HN          5.20    (#    900:9   Unique         1.87, 2.91 A)
 &rst
  ixpk= 900, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 469, 470,
 &end
#
#   10 VAL  HN           34 TRP  HE3         5.60    (#    901:9   Unique         2.61, 2.82 A)
 &rst
  ixpk= 901, nxpk= 9, iat= 143, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   33 PHE  HE           33 PHE  HN          5.60    (#    902:9   Unique         4.57, 5.03 A)
 &rst
  ixpk= 902, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 526, 530,
 &end
#
#   34 TRP  HZ3           9 TRP  HD1         5.60    (#    903:9   Unique         2.59, 2.84 A)
 &rst
  ixpk= 903, nxpk= 9, iat= 553, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HZ3         5.60    (#    904:9   Unique         2.59, 2.84 A)
 &rst
  ixpk= 904, nxpk= 9, iat= 127, 553, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   19 LYS  HN           19 LYS  HG-         5.20    (#    905:9   Unique         1.90, 2.54 A)
 &rst
  ixpk= 905, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 279, 280,
 &end
#
#   10 VAL  HN           34 TRP  HB-         5.60    (#    906:9   Unique         3.34, 4.52 A)
 &rst
  ixpk= 906, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 540, 541,
 &end
#
#    8 ILE  HN            8 ILE  HB          4.50    (#    907:9   Unique         3.76, 3.85 A)
 &rst
  ixpk= 907, nxpk= 9, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           31 VAL  MGX         6.00    (#    908:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 908, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 526, 530,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    7 THR  HN            0 AMB  9-1:909     5.60    (#    909:9   Single Ambig)
 &rst
  ixpk= 909, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  66,  67,  66,  67,
 &end
#
#    4 GLN  HN            5 VAL  MGY         5.60    (#    910:9   Unique         2.36, 5.43 A)
 &rst
  ixpk= 910, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   10 VAL  HN            8 ILE  QD1         5.20    (#    911:9   Unique         2.30, 3.44 A)
 &rst
  ixpk= 911, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:912       0 AMB  9-1:912     5.60    (#    912:9   Double Ambig)
 &rst
  ixpk= 912, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 159, 536,
 igr2= 123, 124, 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:913       0 AMB  9-1:913     2.80    (#    913:9   Double Ambig)
 &rst
  ixpk= 913, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255,
 igr2= 342, 343, 208, 209, 208, 209,
 &end
#
#    0 AMB  9-2:914       0 AMB  9-1:914     2.80    (#    914:9   Double Ambig)
 &rst
  ixpk= 914, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 342, 343, 208, 209, 208, 209,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255,
 &end
#
#   32 THR  HB           34 TRP  HN          5.60    (#    915:9   Unique         5.24, 5.49 A)
 &rst
  ixpk= 915, nxpk= 9, iat= 506, 536, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:916       0 AMB  9-1:916     5.20    (#    916:9   Double Ambig)
 &rst
  ixpk= 916, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
 igr1=  36,  37, 342, 343, 208, 209, 208, 209,
 igr2= 449, 450, 451, 407, 408, 407, 408, 260, 261, 260,
       261,
 &end
#
#    7 THR  HN            0 AMB  9-1:917     5.60    (#    917:9   Single Ambig)
 &rst
  ixpk= 917, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:922      31 VAL  HN          5.60    (#    922:9   Single Ambig)
 &rst
  ixpk= 922, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 462, 100,
 &end
#
#   31 VAL  HN            0 AMB  9-1:923     5.60    (#    923:9   Single Ambig)
 &rst
  ixpk= 923, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 462, 100,
 &end
#
#   32 THR  HN           31 VAL  HN          5.60    (#    924:9   Unique         4.34, 4.40 A)
 &rst
  ixpk= 924, nxpk= 9, iat= 502, 486, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   20 LEU  MDY          13 THR  HB          5.60    (#    928:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 928, nxpk= 9, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:930      28 ASN  HN          5.60    (#    930:9   Single Ambig)
 &rst
  ixpk= 930, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:931      19 LYS  HN          5.60    (#    931:9   Single Ambig)
 &rst
  ixpk= 931, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 260, 261, 260, 261,
 &end
#
#    4 GLN  HA            4 GLN  HG-         5.20    (#    938:9   Unique         2.36, 3.43 A)
 &rst
  ixpk= 938, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#    0 AMB  9-2:939       0 AMB  9-1:939     5.20    (#    939:9   Double Ambig)
 &rst
  ixpk= 939, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=  64, 102,
 igr2=  72,  73,  72,  73,  72,  73,
 &end
#
#    7 THR  HA           29 ILE  HB          6.00    (#    940:9   Unique)
 &rst
  ixpk= 940, nxpk= 9, iat=  88, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:942       0 AMB  9-1:942     5.60    (#    942:9   Double Ambig)
 &rst
  ixpk= 942, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 540, 541, 540, 541,
 igr2= 123, 124, 123, 124,
 &end
#
#   20 LEU  HA           20 LEU  MDY         5.20    (#    943:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 943, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  HA            0 AMB  9-1:945     5.20    (#    945:9   Single Ambig)
 &rst
  ixpk= 945, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:947       0 AMB  9-1:947     3.50    (#    947:9   Double Ambig)
 &rst
  ixpk= 947, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 466, 467, 254, 255, 254, 255, 401, 402, 401, 402,
       276, 277,
 igr2= 469, 470, 257, 258, 257, 258, 404, 405, 404, 405,
       257, 258,
 &end
#
#    7 THR  HN            6 ARG  HG+         5.20    (#    948:9   Unique         2.43, 4.46 A)
 &rst
  ixpk= 948, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  69,  70,
 &end
#
#   34 TRP  HN           32 THR  HB          5.60    (#    949:9   Unique         5.24, 5.49 A)
 &rst
  ixpk= 949, nxpk= 9, iat= 536, 506, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:950       0 AMB  9-1:950     5.60    (#    950:9   Double Ambig)
 &rst
  ixpk= 950, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 365, 294,
 igr2= 342, 343, 317, 318, 317, 318, 317, 318,
 &end
#
#   34 TRP  HE3           0 AMB  9-1:951     5.20    (#    951:9   Single Ambig)
 &rst
  ixpk= 951, nxpk= 9, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 123, 124, 123, 124,
 &end
#
#    8 ILE  HN            7 THR  HB          5.20    (#    952:9   Unique         4.19, 4.34 A)
 &rst
  ixpk= 952, nxpk= 9, iat= 100,  90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HN            0 AMB  9-1:953     5.20    (#    953:9   Double Ambig)
 &rst
  ixpk= 953, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  9-2:958       8 ILE  QG2         4.20    (#    958:9   Single Ambig)
 &rst
  ixpk= 958, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 110, 111, 110, 111,
 igr2= 106, 107, 108,
 &end
#
#   25 LYS  HG-           0 AMB  9-1:960     5.20    (#    960:9   Single Ambig)
 &rst
  ixpk= 960, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 382, 383,
 igr2= 388, 389, 388, 389,
 &end
#
#    8 ILE  QG2           0 AMB  9-1:961     4.20    (#    961:9   Single Ambig)
 &rst
  ixpk= 961, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 106, 107, 108,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:963       0 AMB  9-1:963     4.50    (#    963:9   Double Ambig)
 &rst
  ixpk= 963, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454,
 igr2= 220, 221, 220, 221, 354, 355,
 &end
#
#   30 ARG  HA           30 ARG  HG+         5.60    (#    965:9   Unique)
 &rst
  ixpk= 965, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 469, 470,
 &end
#
#    0 AMB  9-2:967       0 AMB  9-1:967     2.80    (#    967:9   Double Ambig)
 &rst
  ixpk= 967, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 254, 255, 254, 255, 401, 402, 401, 402, 276, 277,
       276, 277, 276, 277,
 igr2= 257, 258, 404, 405, 279, 280, 279, 280,
 &end
#
#   10 VAL  HB           20 LEU  MDX         5.20    (#    971:9   Unique         4.78, 6.61 A)
 &rst
  ixpk= 971, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   24 ALA  MB           31 VAL  MGX         6.00    (#    972:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 972, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 369, 370, 371,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:973      20 LEU  MDY         5.20    (#    973:9   Single Ambig)
 &rst
  ixpk= 973, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
 igr1= 220, 221, 220, 221,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    7 THR  HN            7 THR  HA          5.60    (#    974:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 974, nxpk= 9, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   30 ARG  HN           29 ILE  HN          5.60    (#    976:9   Unique         4.64, 4.66 A)
 &rst
  ixpk= 976, nxpk= 9, iat= 462, 443, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ILE  HN           30 ARG  HN          5.60    (#    977:9   Unique         4.64, 4.66 A)
 &rst
  ixpk= 977, nxpk= 9, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   22 GLU  HA           25 LYS  HN          5.60    (#    979:9   Unique         3.23, 3.63 A)
 &rst
  ixpk= 979, nxpk= 9, iat= 337, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 VAL  HA           34 TRP  HE3         5.60    (#    980:9   Unique         5.19, 5.38 A)
 &rst
  ixpk= 980, nxpk= 9, iat= 145, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   31 VAL  MGX          21 LYS  HN          6.00    (#    982:9   Unique         3.10, 5.52 A)
 &rst
  ixpk= 982, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   17 LEU  MDY          17 LEU  HN          5.60    (#    983:9   Unique         2.51, 4.41 A)
 &rst
  ixpk= 983, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 240, 241, 242, 244, 245, 246,
 &end
#
#    7 THR  HB            9 TRP  HD1         5.60    (#    984:9   Unique         4.96, 5.26 A)
 &rst
  ixpk= 984, nxpk= 9, iat=  90, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1           9 TRP  HA          5.20    (#    985:9   Unique         3.33, 3.48 A)
 &rst
  ixpk= 985, nxpk= 9, iat= 127, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  N C HA2 HA3
 &rst iat=21,26,24,25, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=30,35,33,34, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=28,43,31,32, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=47,51,55,50, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=45,59,48,49, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=63,68,66,67, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=65,71,69,70, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=68,74,72,73, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=61,83,64,65, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=87,91,95,90, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=85,97,88,89, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=101,105,109,104, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=103,112,110,111, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=99,116,102,103, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,140,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=144,148,152,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=142,156,145,146, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=165,170,168,169, &end
#
#  chirality for residue 13 atoms:  CA CG2 OG1 HB
 &rst iat=174,178,182,177, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=172,184,175,176, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=196,190,194,195, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=193,187,191,192, &end
#
#  chirality for residue 14 atoms:  CG N HD2 HD3
 &rst iat=190,186,188,189, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=186,198,197,193, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=202,207,205,206, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=204,210,208,209, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=200,213,203,204, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=219,225,223,224, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=215,228,218,219, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=232,237,235,236, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=234,239,243,238, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=230,247,233,234, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=251,256,254,255, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=253,259,257,258, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=259,265,263,264, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=256,262,260,261, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=249,269,252,253, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=273,278,276,277, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=275,281,279,280, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=271,291,274,275, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 20 atoms:  CB CD1 CD2 HG
 &rst iat=297,302,306,301, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=293,310,296,297, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=316,322,320,321, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=322,328,326,327, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=319,325,323,324, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=312,332,315,316, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=336,341,339,340, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=338,344,342,343, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=334,347,337,338, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=351,356,354,355, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=353,359,357,358, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=349,362,352,353, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=364,372,367,368, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=376,381,379,380, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=378,384,382,383, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=381,387,385,386, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=374,394,377,378, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=398,403,401,402, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=400,406,404,405, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=406,412,410,411, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=403,409,407,408, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=396,416,399,400, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=418,426,421,422, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=428,440,431,432, &end
#
#  chirality for residue 29 atoms:  CA CG2 CG1 HB
 &rst iat=444,448,452,447, &end
#
#  chirality for residue 29 atoms:  CB CD1 HG12 HG13
 &rst iat=446,455,453,454, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=465,471,469,470, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=468,474,472,473, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=461,483,464,465, &end
#
#  chirality for residue 31 atoms:  CA CG1 CG2 HB
 &rst iat=487,491,495,490, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=485,499,488,489, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=503,507,511,506, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=501,513,504,505, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=517,522,520,521, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=515,533,518,519, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=535,557,538,539, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=559,564,562,563, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=568,573,571,572, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=566,576,569,570, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=30,28,26,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=47,45,43,30, &end
#
#  trans-omega constraint for residue 6
 &rst iat=63,61,59,47, &end
#
#  trans-omega constraint for residue 7
 &rst iat=87,85,83,63, &end
#
#  trans-omega constraint for residue 8
 &rst iat=101,99,97,87, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,101, &end
#
#  trans-omega constraint for residue 10
 &rst iat=144,142,140,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=160,158,156,144, &end
#
#  trans-omega constraint for residue 12
 &rst iat=167,165,163,160, &end
#
#  trans-omega constraint for residue 13
 &rst iat=174,172,170,167, &end
#
#  trans-omega constraint for residue 14
 &rst iat=196,186,184,174, &end
#
#  trans-omega constraint for residue 15
 &rst iat=202,200,198,196, &end
#
#  trans-omega constraint for residue 16
 &rst iat=217,215,213,202, &end
#
#  trans-omega constraint for residue 17
 &rst iat=232,230,228,217, &end
#
#  trans-omega constraint for residue 18
 &rst iat=251,249,247,232, &end
#
#  trans-omega constraint for residue 19
 &rst iat=273,271,269,251, &end
#
#  trans-omega constraint for residue 20
 &rst iat=295,293,291,273, &end
#
#  trans-omega constraint for residue 21
 &rst iat=314,312,310,295, &end
#
#  trans-omega constraint for residue 22
 &rst iat=336,334,332,314, &end
#
#  trans-omega constraint for residue 23
 &rst iat=351,349,347,336, &end
#
#  trans-omega constraint for residue 24
 &rst iat=366,364,362,351, &end
#
#  trans-omega constraint for residue 25
 &rst iat=376,374,372,366, &end
#
#  trans-omega constraint for residue 26
 &rst iat=398,396,394,376, &end
#
#  trans-omega constraint for residue 27
 &rst iat=420,418,416,398, &end
#
#  trans-omega constraint for residue 28
 &rst iat=430,428,426,420, &end
#
#  trans-omega constraint for residue 29
 &rst iat=444,442,440,430, &end
#
#  trans-omega constraint for residue 30
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 31
 &rst iat=487,485,483,463, &end
#
#  trans-omega constraint for residue 32
 &rst iat=503,501,499,487, &end
#
#  trans-omega constraint for residue 33
 &rst iat=517,515,513,503, &end
#
#  trans-omega constraint for residue 34
 &rst iat=537,535,533,517, &end
#
#  trans-omega constraint for residue 35
 &rst iat=561,559,557,537, &end
#
#  trans-omega constraint for residue 36
 &rst iat=568,566,564,561, &end
#
#   34 TRP  HH2          34 TRP  HE1         5.20    (#      0:9   Unique)
 &rst
  ixpk= 0, nxpk= 9, iat= 551, 546, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   34 TRP  HD1          34 TRP  HE1         2.80    (#      1:9   Unique )
 &rst
  ixpk= 1, nxpk= 9, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HD1           9 TRP  HE1         2.80    (#      2:9   Unique         2.64, 2.64 A)
 &rst
  ixpk= 2, nxpk= 9, iat= 127, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HZ2           9 TRP  HE1         4.20    (#      3:9   Unique         2.85, 2.85 A)
 &rst
  ixpk= 3, nxpk= 9, iat= 132, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    7 THR  HA            8 ILE  HN          2.20    (#      4:9   Unique         2.15, 2.21 A)
 &rst
  ixpk= 4, nxpk= 9, iat=  88, 100, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    8 ILE  HA            8 ILE  HN          5.20    (#      5:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 5, nxpk= 9, iat= 102, 100, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   30 ARG  HA           30 ARG  HN          4.20    (#      6:9   Unique         2.89, 2.91 A)
 &rst
  ixpk= 6, nxpk= 9, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HA           30 ARG  HN          2.80    (#      7:9   Unique         2.29, 2.34 A)
 &rst
  ixpk= 7, nxpk= 9, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ARG  HB-          30 ARG  HN          4.50    (#      8:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 8, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#   30 ARG  HB+          30 ARG  HN          3.50    (#      9:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 9, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 466, 467,
 &end
#
#    8 ILE  QG2           8 ILE  HN          5.20    (#     10:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 10, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 106, 107, 108,
 &end
#
#    8 ILE  HB            8 ILE  HN          4.50    (#     11:9   Unique         3.76, 3.85 A)
 &rst
  ixpk= 11, nxpk= 9, iat= 104, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 THR  MG2           8 ILE  HN          3.50    (#     12:9   Unique)
 &rst
  ixpk= 12, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  92,  93,  94,
 &end
#
#    8 ILE  QD1           8 ILE  HN          4.50    (#     13:9   Unique)
 &rst
  ixpk= 13, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 113, 114, 115,
 &end
#
#   10 VAL  HN            8 ILE  HN          5.60    (#     14:9   Unique)
 &rst
  ixpk= 14, nxpk= 9, iat= 143, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   34 TRP  HZ3          34 TRP  HN          5.20    (#     15:9   Unique         4.95, 5.09 A)
 &rst
  ixpk= 15, nxpk= 9, iat= 553, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:16        0 AMB  9-1:16      5.20    (#     16:9   Double Ambig)
 &rst
  ixpk= 16, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 138, 524, 532,
 igr2= 159, 536,
 &end
#
#   34 TRP  HE3          34 TRP  HN          5.20    (#     17:9   Unique         2.66, 2.81 A)
 &rst
  ixpk= 17, nxpk= 9, iat= 555, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HZ3           0 AMB  9-1:18      5.20    (#     18:9   Single Ambig)
 &rst
  ixpk= 18, nxpk= 9, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 536, 159,
 &end
#
#   11 GLY  HA+          11 GLY  HN          5.20    (#     19:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 19, nxpk= 9, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 161, 162,
 &end
#
#   33 PHE  HA           34 TRP  HN          2.20    (#     20:9   Unique         2.19, 2.20 A)
 &rst
  ixpk= 20, nxpk= 9, iat= 518, 536, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   10 VAL  HA           11 GLY  HN          2.20    (#     21:9   Unique         2.18, 2.22 A)
 &rst
  ixpk= 21, nxpk= 9, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   34 TRP  HA           34 TRP  HN          5.20    (#     22:9   Unique         2.92, 2.92 A)
 &rst
  ixpk= 22, nxpk= 9, iat= 538, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HA-          11 GLY  HN          4.20    (#     23:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 23, nxpk= 9, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 161, 162,
 &end
#
#   34 TRP  HB+          34 TRP  HN          4.50    (#     24:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 24, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:25       34 TRP  HN          4.20    (#     25:9   Single Ambig)
 &rst
  ixpk= 25, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 520, 521, 520, 521,
 &end
#
#   34 TRP  HB-          34 TRP  HN          5.20    (#     26:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 26, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   32 THR  MG2          34 TRP  HN          6.00    (#     27:9   Unique         4.26, 5.60 A)
 &rst
  ixpk= 27, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 508, 509, 510,
 &end
#
#    0 AMB  9-2:28        0 AMB  9-1:28      5.20    (#     28:9   Double Ambig)
 &rst
  ixpk= 28, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 179, 180, 181, 113, 114, 115,
 igr2= 159, 536,
 &end
#
#   10 VAL  MGX          34 TRP  HN          5.20    (#     29:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 29, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          34 TRP  HN          4.50    (#     30:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 30, nxpk= 9, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   22 GLU  HN           21 LYS  HN          5.20    (#     31:9   Unique         2.58, 2.73 A)
 &rst
  ixpk= 31, nxpk= 9, iat= 335, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   33 PHE  HD            0 AMB  9-1:32      2.20    (#     32:9   Single Ambig)
 &rst
  ixpk= 32, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 524, 532,
 igr2= 520, 521, 520, 521,
 &end
#
#    0 AMB  9-2:33       22 GLU  HN          4.20    (#     33:9   Single Ambig)
 &rst
  ixpk= 33, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 365, 294,
 &end
#
#   21 LYS  HN           22 GLU  HN          4.50    (#     34:9   Unique         2.58, 2.73 A)
 &rst
  ixpk= 34, nxpk= 9, iat= 313, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HN           13 THR  HN          5.20    (#     35:9   Unique         4.71, 4.96 A)
 &rst
  ixpk= 35, nxpk= 9, iat= 201, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   18 LYS  HN           16 GLU  HN          4.50    (#     36:9   Unique         3.96, 4.16 A)
 &rst
  ixpk= 36, nxpk= 9, iat= 250, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HD            0 AMB  9-1:37      3.50    (#     37:9   Single Ambig)
 &rst
  ixpk= 37, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 532,
 igr2= 516, 143,
 &end
#
#   11 GLY  HA+          12 GLY  HN          2.80    (#     38:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 38, nxpk= 9, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 161, 162,
 &end
#
#    7 THR  HA            6 ARG  HN          5.20    (#     39:9   Unique         4.61, 4.64 A)
 &rst
  ixpk= 39, nxpk= 9, iat=  88,  62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HN            0 AMB  9-1:40      4.20    (#     40:9   Single Ambig)
 &rst
  ixpk= 40, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 365, 294,
 &end
#
#   36 ASP  HN           35 GLY  HN          4.20    (#     41:9   Unique         2.47, 2.78 A)
 &rst
  ixpk= 41, nxpk= 9, iat= 567, 560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   28 ASN  HN           29 ILE  HN          3.50    (#     42:9   Unique         1.87, 2.20 A)
 &rst
  ixpk= 42, nxpk= 9, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HN           20 LEU  HN          4.20    (#     43:9   Unique         2.16, 2.21 A)
 &rst
  ixpk= 43, nxpk= 9, iat= 272, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   13 THR  HN           15 GLU  HN          5.20    (#     44:9   Unique         4.71, 4.96 A)
 &rst
  ixpk= 44, nxpk= 9, iat= 173, 201, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   35 GLY  HN           36 ASP  HN          4.20    (#     45:9   Unique         2.47, 2.78 A)
 &rst
  ixpk= 45, nxpk= 9, iat= 560, 567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HN           28 ASN  HN          3.50    (#     46:9   Unique         1.87, 2.20 A)
 &rst
  ixpk= 46, nxpk= 9, iat= 443, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HN           19 LYS  HN          4.20    (#     47:9   Unique         2.16, 2.21 A)
 &rst
  ixpk= 47, nxpk= 9, iat= 294, 272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   26 LYS  HN           27 ALA  HN          2.80    (#     48:9   Unique         2.74, 2.85 A)
 &rst
  ixpk= 48, nxpk= 9, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 ALA  HN           26 LYS  HN          3.50    (#     49:9   Unique         2.74, 2.85 A)
 &rst
  ixpk= 49, nxpk= 9, iat= 419, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LEU  HN           21 LYS  HN          5.60    (#     50:9   Unique         4.35, 5.05 A)
 &rst
  ixpk= 50, nxpk= 9, iat= 231, 313, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   23 GLU  HN           24 ALA  HN          3.50    (#     51:9   Unique)
 &rst
  ixpk= 51, nxpk= 9, iat= 350, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HN           24 ALA  HN          3.50    (#     52:9   Unique         2.66, 2.96 A)
 &rst
  ixpk= 52, nxpk= 9, iat= 375, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HN           26 LYS  HN          3.50    (#     53:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 53, nxpk= 9, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HN           26 LYS  HN          4.50    (#     54:9   Unique)
 &rst
  ixpk= 54, nxpk= 9, iat= 350, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 TRP  HE3           9 TRP  HN          5.60    (#     55:9   Unique)
 &rst
  ixpk= 55, nxpk= 9, iat= 138, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   18 LYS  HN           19 LYS  HN          3.50    (#     56:9   Unique         2.77, 3.01 A)
 &rst
  ixpk= 56, nxpk= 9, iat= 250, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LEU  HN           15 GLU  HN          4.20    (#     57:9   Unique         3.50, 3.79 A)
 &rst
  ixpk= 57, nxpk= 9, iat= 231, 201, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   21 LYS  HN           17 LEU  HN          5.60    (#     58:9   Unique         4.35, 5.05 A)
 &rst
  ixpk= 58, nxpk= 9, iat= 313, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   15 GLU  HN           17 LEU  HN          4.20    (#     59:9   Unique         3.50, 3.79 A)
 &rst
  ixpk= 59, nxpk= 9, iat= 201, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   19 LYS  HN           18 LYS  HN          3.50    (#     60:9   Unique         2.77, 3.01 A)
 &rst
  ixpk= 60, nxpk= 9, iat= 272, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN           18 LYS  HN          4.50    (#     61:9   Unique         3.96, 4.16 A)
 &rst
  ixpk= 61, nxpk= 9, iat= 216, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ALA  HN           23 GLU  HN          3.50    (#     62:9   Unique)
 &rst
  ixpk= 62, nxpk= 9, iat= 365, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 LYS  HN           23 GLU  HN          4.50    (#     63:9   Unique)
 &rst
  ixpk= 63, nxpk= 9, iat= 397, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 LYS  HN           25 LYS  HN          3.50    (#     64:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 64, nxpk= 9, iat= 397, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ALA  HN           25 LYS  HN          3.50    (#     65:9   Unique         2.66, 2.96 A)
 &rst
  ixpk= 65, nxpk= 9, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 TRP  HN            9 TRP  HE3         5.60    (#     66:9   Unique)
 &rst
  ixpk= 66, nxpk= 9, iat= 119, 138, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:67       33 PHE  HD          3.50    (#     67:9   Single Ambig)
 &rst
  ixpk= 67, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 516, 143,
 igr2= 524, 532,
 &end
#
#   34 TRP  HN           34 TRP  HZ3         5.20    (#     68:9   Unique         4.95, 5.09 A)
 &rst
  ixpk= 68, nxpk= 9, iat= 536, 553, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:69        0 AMB  9-1:69      5.20    (#     69:9   Double Ambig)
 &rst
  ixpk= 69, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 159, 536,
 igr2= 138, 524, 532,
 &end
#
#   34 TRP  HN           34 TRP  HE3         5.20    (#     70:9   Unique         2.66, 2.81 A)
 &rst
  ixpk= 70, nxpk= 9, iat= 536, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:71        9 TRP  HZ3         5.20    (#     71:9   Single Ambig)
 &rst
  ixpk= 71, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 536, 159,
 &end
#
#    9 TRP  HE1           9 TRP  HZ2         4.20    (#     72:9   Unique         2.85, 2.85 A)
 &rst
  ixpk= 72, nxpk= 9, iat= 129, 132, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HE1          34 TRP  HH2         5.20    (#     73:9   Unique)
 &rst
  ixpk= 73, nxpk= 9, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HE1          34 TRP  HD1         2.80    (#     74:9   Unique)
 &rst
  ixpk= 74, nxpk= 9, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 TRP  HE1           9 TRP  HD1         2.80    (#     75:9   Unique         2.64, 2.64 A)
 &rst
  ixpk= 75, nxpk= 9, iat= 129, 127, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 GLY  HN           34 TRP  HD1         5.60    (#     76:9   Unique         3.56, 3.81 A)
 &rst
  ixpk= 76, nxpk= 9, iat= 560, 544, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HN            9 TRP  HD1         5.20    (#     77:9   Unique         3.85, 4.08 A)
 &rst
  ixpk= 77, nxpk= 9, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    4 GLN  HE2+          4 GLN  HE2-        2.20    (#     78:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HD2-         28 ASN  HD2+        2.20    (#     79:9   Unique )
#This appears to be self-referential: ignoring
#
#   34 TRP  HH2           9 TRP  HD1         5.20    (#     80:9   Unique         3.07, 3.48 A)
 &rst
  ixpk= 80, nxpk= 9, iat= 551, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HE3           9 TRP  HD1         5.60    (#     81:9   Unique         3.87, 4.26 A)
 &rst
  ixpk= 81, nxpk= 9, iat= 555, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HE3         5.60    (#     82:9   Unique         3.87, 4.26 A)
 &rst
  ixpk= 82, nxpk= 9, iat= 127, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HH2         5.20    (#     83:9   Unique         3.07, 3.48 A)
 &rst
  ixpk= 83, nxpk= 9, iat= 127, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HD2+         28 ASN  HD2-        2.20    (#     84:9   Unique  )
#This appears to be self-referential: ignoring
#
#    4 GLN  HE2-          4 GLN  HE2+        2.20    (#     85:9   Unique)
#This appears to be self-referential: ignoring
#
#   34 TRP  HZ3          34 TRP  HZ2         4.50    (#     86:9   Unique)
 &rst
  ixpk= 86, nxpk= 9, iat= 553, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:87        0 AMB  9-1:87      2.80    (#     87:9   Double Ambig)
 &rst
  ixpk= 87, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 136, 549,
 igr2= 138, 551,
 &end
#
#   34 TRP  HE3          34 TRP  HZ3         4.50    (#     88:9   Unique         2.49, 2.49 A)
 &rst
  ixpk= 88, nxpk= 9, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           33 PHE  HD          2.80    (#     89:9   Unique)
 &rst
  ixpk= 89, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 526, 530,
 igr2= 524, 532,
 &end
#
#    9 TRP  HH2           9 TRP  HZ2         3.50    (#     90:9   Unique         2.52, 2.52 A)
 &rst
  ixpk= 90, nxpk= 9, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 PHE  HZ           33 PHE  HE          2.80    (#     91:9   Unique         2.45, 2.45 A)
 &rst
  ixpk= 91, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 526, 530,
 &end
#
#   33 PHE  HE           33 PHE  HZ          2.80    (#     92:9   Unique         2.45, 2.45 A)
 &rst
  ixpk= 92, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 526, 530,
 &end
#
#    9 TRP  HZ2          34 TRP  HZ2         4.50    (#     93:9   Unique)
 &rst
  ixpk= 93, nxpk= 9, iat= 132, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TRP  HZ2          34 TRP  HZ3         4.50    (#     94:9   Unique )
 &rst
  ixpk= 94, nxpk= 9, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:95        0 AMB  9-1:95      2.80    (#     95:9   Double Ambig)
 &rst
  ixpk= 95, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 138, 551,
 igr2= 136, 549,
 &end
#
#    9 TRP  HZ2           9 TRP  HH2         2.80    (#     96:9   Unique         2.52, 2.52 A)
 &rst
  ixpk= 96, nxpk= 9, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 PHE  HD           33 PHE  HE          2.80    (#     97:9   Unique)
 &rst
  ixpk= 97, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 524, 532,
 igr2= 526, 530,
 &end
#
#    9 TRP  HA           10 VAL  HN          2.80    (#     98:9   Unique         2.26, 2.27 A)
 &rst
  ixpk= 98, nxpk= 9, iat= 121, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 VAL  HA           32 THR  HN          2.20    (#     99:9   Unique         2.18, 2.18 A)
 &rst
  ixpk= 99, nxpk= 9, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    6 ARG  HA            6 ARG  HN          5.20    (#    102:9   Unique         2.88, 2.89 A)
 &rst
  ixpk= 102, nxpk= 9, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HA           35 GLY  HN          3.50    (#    103:9   Unique         2.22, 2.27 A)
 &rst
  ixpk= 103, nxpk= 9, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HA            7 THR  HN          5.20    (#    104:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 104, nxpk= 9, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HA            9 TRP  HN          5.20    (#    105:9   Unique         2.93, 2.94 A)
 &rst
  ixpk= 105, nxpk= 9, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   31 VAL  HA           31 VAL  HN          4.50    (#    106:9   Unique         2.92, 2.93 A)
 &rst
  ixpk= 106, nxpk= 9, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 TRP  HA            9 TRP  HE3         5.20    (#    107:9   Unique)
 &rst
  ixpk= 107, nxpk= 9, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HE3          10 VAL  HA          5.20    (#    108:9   Unique)
 &rst
  ixpk= 108, nxpk= 9, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    9 TRP  HA            9 TRP  HD1         5.20    (#    109:9   Unique         3.33, 3.48 A)
 &rst
  ixpk= 109, nxpk= 9, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   30 ARG  HA           31 VAL  HN          2.20    (#    110:9   Unique         2.23, 2.23 A)
 &rst
  ixpk= 110, nxpk= 9, iat= 464, 486, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   25 LYS  HA           25 LYS  HN          3.50    (#    111:9   Unique         2.80, 2.85 A)
 &rst
  ixpk= 111, nxpk= 9, iat= 377, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASP  HA           36 ASP  HN          4.50    (#    112:9   Unique         2.17, 2.17 A)
 &rst
  ixpk= 112, nxpk= 9, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 ALA  HA           27 ALA  HN          4.50    (#    113:9   Unique         2.85, 2.91 A)
 &rst
  ixpk= 113, nxpk= 9, iat= 421, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASN  HA           28 ASN  HN          3.50    (#    114:9   Unique         2.20, 2.65 A)
 &rst
  ixpk= 114, nxpk= 9, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:115       0 AMB  9-1:115     2.80    (#    115:9   Double Ambig)
 &rst
  ixpk= 115, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  31, 562, 563,
 igr2=  46, 567,
 &end
#
#    4 GLN  HA            4 GLN  HN          4.50    (#    116:9   Unique         2.64, 2.87 A)
 &rst
  ixpk= 116, nxpk= 9, iat=  31,  29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LYS  HA           26 LYS  HN          5.20    (#    117:9   Unique         3.46, 3.50 A)
 &rst
  ixpk= 117, nxpk= 9, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HA           29 ILE  HN          4.20    (#    118:9   Unique         3.55, 3.60 A)
 &rst
  ixpk= 118, nxpk= 9, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   32 THR  HA           33 PHE  HN          2.20    (#    120:9   Unique         2.15, 2.16 A)
 &rst
  ixpk= 120, nxpk= 9, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   13 THR  HA           16 GLU  HN          4.50    (#    121:9   Unique         3.50, 3.82 A)
 &rst
  ixpk= 121, nxpk= 9, iat= 175, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 THR  HA           13 THR  HN          5.20    (#    122:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 122, nxpk= 9, iat= 175, 173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HA           24 ALA  HN          4.50    (#    123:9   Unique         3.71, 3.81 A)
 &rst
  ixpk= 123, nxpk= 9, iat= 337, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           26 LYS  HN          5.20    (#    124:9   Unique         3.27, 3.66 A)
 &rst
  ixpk= 124, nxpk= 9, iat= 337, 397, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   23 GLU  HA           27 ALA  HN          3.50    (#    126:9   Unique         1.93, 3.28 A)
 &rst
  ixpk= 126, nxpk= 9, iat= 352, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLY  HA+           9 TRP  HZ3         5.60    (#    127:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 127, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 161, 162,
 &end
#
#   29 ILE  QG2          28 ASN  HN          5.60    (#    128:9   Unique         4.03, 5.19 A)
 &rst
  ixpk= 128, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 449, 450, 451,
 &end
#
#    0 AMB  9-2:130      23 GLU  HN          5.20    (#    130:9   Single Ambig)
 &rst
  ixpk= 130, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 274, 296,
 &end
#
#    0 AMB  9-2:131       0 AMB  9-1:131     2.80    (#    131:9   Double Ambig)
 &rst
  ixpk= 131, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 352, 252,
 igr2= 350, 250,
 &end
#
#   23 GLU  HA           25 LYS  HN          5.60    (#    132:9   Unique )
 &rst
  ixpk= 132, nxpk= 9, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   32 THR  HB           34 TRP  HH2         5.20    (#    133:9   Unique         2.70, 2.99 A)
 &rst
  ixpk= 133, nxpk= 9, iat= 506, 551, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   32 THR  HB           34 TRP  HZ2         5.20    (#    134:9   Unique         4.48, 4.82 A)
 &rst
  ixpk= 134, nxpk= 9, iat= 506, 549, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HA-           9 TRP  HZ3         5.20    (#    135:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 135, nxpk= 9, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 161, 162,
 &end
#
#   17 LEU  HA           33 PHE  HZ          4.50    (#    136:9   Unique         3.46, 4.23 A)
 &rst
  ixpk= 136, nxpk= 9, iat= 233, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HA           33 PHE  HE          4.20    (#    137:9   Unique         3.33, 4.77 A)
 &rst
  ixpk= 137, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 526, 530,
 &end
#
#   17 LEU  HA           17 LEU  HN          4.20    (#    138:9   Unique         2.66, 2.69 A)
 &rst
  ixpk= 138, nxpk= 9, iat= 233, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   19 LYS  HA           19 LYS  HN          3.50    (#    139:9   Unique         2.90, 2.91 A)
 &rst
  ixpk= 139, nxpk= 9, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 GLU  HA           15 GLU  HN          2.80    (#    140:9   Unique         2.78, 2.83 A)
 &rst
  ixpk= 140, nxpk= 9, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  9-2:141       0 AMB  9-1:141     3.50    (#    141:9   Double Ambig)
 &rst
  ixpk= 141, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  48, 562, 563,
 igr2=  46, 567,
 &end
#
#    7 THR  HB            7 THR  HN          4.50    (#    142:9   Unique         2.13, 2.24 A)
 &rst
  ixpk= 142, nxpk= 9, iat=  90,  86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 LEU  HA           21 LYS  HN          5.20    (#    144:9   Unique         3.61, 3.63 A)
 &rst
  ixpk= 144, nxpk= 9, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   26 LYS  HA           26 LYS  HN          3.50    (#    145:9   Unique)
 &rst
  ixpk= 145, nxpk= 9, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:146       0 AMB  9-1:146     4.20    (#    146:9   Double Ambig)
 &rst
  ixpk= 146, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 315, 367,
 igr2= 313, 397,
 &end
#
#   24 ALA  HA           24 ALA  HN          4.20    (#    147:9   Unique         2.75, 2.80 A)
 &rst
  ixpk= 147, nxpk= 9, iat= 367, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   29 ILE  HA           29 ILE  HN          4.50    (#    148:9   Unique         2.64, 2.66 A)
 &rst
  ixpk= 148, nxpk= 9, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ALA  HA           29 ILE  HN          4.50    (#    149:9   Unique         3.89, 4.30 A)
 &rst
  ixpk= 149, nxpk= 9, iat= 367, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:150       0 AMB  9-1:150     4.20    (#    150:9   Double Ambig)
 &rst
  ixpk= 150, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 337, 177,
 igr2= 335, 173,
 &end
#
#    0 AMB  9-2:151      16 GLU  HN          3.50    (#    151:9   Single Ambig)
 &rst
  ixpk= 151, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 218, 203,
 &end
#
#    0 AMB  9-2:152       0 AMB  9-1:152     4.20    (#    152:9   Double Ambig)
 &rst
  ixpk= 152, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 168, 169, 168, 169,
 igr2= 173, 166,
 &end
#
#   12 GLY  HA-           0 AMB  9-1:153     5.20    (#    153:9   Single Ambig)
 &rst
  ixpk= 153, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 168, 169,
 igr2= 173, 166,
 &end
#
#    5 VAL  HA            6 ARG  HN          2.20    (#    154:9   Unique         2.20, 2.23 A)
 &rst
  ixpk= 154, nxpk= 9, iat=  48,  62, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   32 THR  HB           32 THR  HN          4.20    (#    155:9   Unique         2.39, 2.49 A)
 &rst
  ixpk= 155, nxpk= 9, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   11 GLY  HA-          12 GLY  HN          4.20    (#    156:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 156, nxpk= 9, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 161, 162,
 &end
#
#   35 GLY  HA-          35 GLY  HN          3.50    (#    157:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 157, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 562, 563,
 &end
#
#   20 LEU  HA           20 LEU  HN          4.20    (#    158:9   Unique         2.66, 2.70 A)
 &rst
  ixpk= 158, nxpk= 9, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   17 LEU  HA           20 LEU  HN          5.20    (#    159:9   Unique         3.03, 3.36 A)
 &rst
  ixpk= 159, nxpk= 9, iat= 233, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:160       0 AMB  9-1:160     4.20    (#    160:9   Double Ambig)
 &rst
  ixpk= 160, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 407, 408, 407, 408, 449, 450, 451,
 igr2= 397,  29,
 &end
#
#   34 TRP  HB+          35 GLY  HN          5.20    (#    161:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 161, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   28 ASN  HB+          28 ASN  HN          5.60    (#    162:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 162, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 433, 434,
 &end
#
#   28 ASN  HB+          28 ASN  HD2+        5.60    (#    163:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 163, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#    0 AMB  9-2:164       6 ARG  HE          4.50    (#    164:9   Single Ambig)
 &rst
  ixpk= 164, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,  72,  73,
 &end
#
#   34 TRP  HB+          34 TRP  HZ3         5.20    (#    165:9   Unique         4.84, 5.58 A)
 &rst
  ixpk= 165, nxpk= 9, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:166      30 ARG  HE          5.20    (#    166:9   Single Ambig)
 &rst
  ixpk= 166, nxpk= 9, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:167       0 AMB  9-1:167     5.20    (#    167:9   Double Ambig)
 &rst
  ixpk= 167, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 540, 541, 540, 541,
 igr2= 555, 544,
 &end
#
#    0 AMB  9-2:168       0 AMB  9-1:168     5.20    (#    168:9   Double Ambig)
 &rst
  ixpk= 168, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 520, 521, 520, 521, 520, 521,
 igr2= 526, 530, 555,
 &end
#
#    0 AMB  9-2:169      33 PHE  HD          2.20    (#    169:9   Single Ambig)
 &rst
  ixpk= 169, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 520, 521, 520, 521,
 igr2= 524, 532,
 &end
#
#   34 TRP  HB-           0 AMB  9-1:170     4.50    (#    170:9   Single Ambig)
 &rst
  ixpk= 170, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 540, 541,
 igr2= 555, 544,
 &end
#
#   28 ASN  HB+          28 ASN  HD2-        5.60    (#    171:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 171, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   34 TRP  HZ3          34 TRP  HB-         6.00    (#    172:9   Unique)
 &rst
  ixpk= 172, nxpk= 9, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 540, 541,
 &end
#
#   28 ASN  HB-          28 ASN  HD2+        5.20    (#    173:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 173, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   23 GLU  HG+          23 GLU  HN          5.20    (#    174:9   Unique         1.94, 3.30 A)
 &rst
  ixpk= 174, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 357, 358,
 &end
#
#   28 ASN  HB-          28 ASN  HN          4.50    (#    175:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 175, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 433, 434,
 &end
#
#   34 TRP  HB-          36 ASP  HN          4.20    (#    176:9   Unique         2.24, 3.08 A)
 &rst
  ixpk= 176, nxpk= 9, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 540, 541,
 &end
#
#   34 TRP  HB-          35 GLY  HN          4.50    (#    177:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 177, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 540, 541,
 &end
#
#    0 AMB  9-2:178      33 PHE  HN          3.50    (#    178:9   Single Ambig)
 &rst
  ixpk= 178, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 520, 521, 520, 521,
 &end
#
#   16 GLU  HG-          16 GLU  HN          4.20    (#    179:9   Unique)
 &rst
  ixpk= 179, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 223, 224,
 &end
#
#   22 GLU  HG-          22 GLU  HN          4.20    (#    180:9   Unique)
 &rst
  ixpk= 180, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 342, 343,
 &end
#
#    4 GLN  HG+           4 GLN  HN          5.20    (#    181:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 181, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  36,  37,
 &end
#
#   15 GLU  HG+          15 GLU  HN          5.20    (#    182:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 182, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#   15 GLU  HG-          15 GLU  HN          5.20    (#    183:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 183, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#    0 AMB  9-2:184      23 GLU  HN          4.20    (#    184:9   Single Ambig)
 &rst
  ixpk= 184, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 357, 358, 342, 343,
 &end
#
#   15 GLU  HB-          17 LEU  HN          5.20    (#    185:9   Unique)
 &rst
  ixpk= 185, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 205, 206,
 &end
#
#    0 AMB  9-2:186       9 TRP  HE3         3.50    (#    186:9   Single Ambig)
 &rst
  ixpk= 186, nxpk= 9, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:187      34 TRP  HE3         5.60    (#    187:9   Single Ambig)
 &rst
  ixpk= 187, nxpk= 9, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:188      33 PHE  HZ          5.20    (#    188:9   Single Ambig)
 &rst
  ixpk= 188, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:189       9 TRP  HD1         4.20    (#    189:9   Single Ambig)
 &rst
  ixpk= 189, nxpk= 9, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:190      34 TRP  HZ3         5.20    (#    190:9   Single Ambig)
 &rst
  ixpk= 190, nxpk= 9, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 123, 124, 123, 124,
 &end
#
#   16 GLU  HG+          18 LYS  HN          5.20    (#    191:9   Unique         4.36, 4.87 A)
 &rst
  ixpk= 191, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 223, 224,
 &end
#
#    0 AMB  9-2:192      10 VAL  HN          4.50    (#    192:9   Single Ambig)
 &rst
  ixpk= 192, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:193      22 GLU  HN          4.50    (#    193:9   Single Ambig)
 &rst
  ixpk= 193, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 317, 318, 317, 318,
 &end
#
#   16 GLU  HG+          16 GLU  HN          4.20    (#    194:9   Unique         1.89, 2.97 A)
 &rst
  ixpk= 194, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 223, 224,
 &end
#
#   22 GLU  HB+          22 GLU  HN          2.80    (#    195:9   Unique         2.08, 2.53 A)
 &rst
  ixpk= 195, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 339, 340,
 &end
#
#    0 AMB  9-2:196      16 GLU  HN          3.50    (#    196:9   Single Ambig)
 &rst
  ixpk= 196, nxpk= 9, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 220, 221, 220, 221,
 &end
#
#    5 VAL  HB            6 ARG  HN          4.20    (#    197:9   Unique)
 &rst
  ixpk= 197, nxpk= 9, iat=  50,  62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  9-2:198       6 ARG  HN          4.50    (#    198:9   Single Ambig)
 &rst
  ixpk= 198, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67,  66,  67,
 &end
#
#   31 VAL  HB           32 THR  HN          3.50    (#    199:9   Unique         3.43, 3.52 A)
 &rst
  ixpk= 199, nxpk= 9, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HB           10 VAL  HN          5.20    (#    200:9   Unique         3.58, 3.64 A)
 &rst
  ixpk= 200, nxpk= 9, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:201      22 GLU  HN          5.60    (#    201:9   Double Ambig)
 &rst
  ixpk= 201, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 320, 321, 320, 321,
 &end
#
#    8 ILE  QG2          32 THR  HN          3.50    (#    202:9   Unique         3.66, 4.59 A)
 &rst
  ixpk= 202, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 106, 107, 108,
 &end
#
#   32 THR  MG2          33 PHE  HN          4.20    (#    203:9   Unique         2.58, 3.74 A)
 &rst
  ixpk= 203, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#   31 VAL  MGX          32 THR  HN          4.50    (#    204:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 204, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGX          10 VAL  HN          4.50    (#    205:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 205, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          10 VAL  HN          5.20    (#    206:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 206, nxpk= 9, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          32 THR  HN          5.20    (#    207:9   Unique         4.56, 6.21 A)
 &rst
  ixpk= 207, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDX          22 GLU  HN          6.00    (#    208:9   Unique         5.26, 6.54 A)
 &rst
  ixpk= 208, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:209       6 ARG  HN          4.20    (#    209:9   Double Ambig)
 &rst
  ixpk= 209, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 453, 454, 453, 454,
 &end
#
#   29 ILE  HB            6 ARG  HN          2.80    (#    210:9   Unique)
 &rst
  ixpk= 210, nxpk= 9, iat= 447,  62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  9-2:211      29 ILE  HN          5.20    (#    211:9   Single Ambig)
 &rst
  ixpk= 211, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 453, 454, 453, 454,
 &end
#
#    5 VAL  MGY          29 ILE  HN          5.20    (#    212:9   Unique         4.17, 6.55 A)
 &rst
  ixpk= 212, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   29 ILE  QD1          29 ILE  HN          5.20    (#    213:9   Unique         4.28, 4.49 A)
 &rst
  ixpk= 213, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#    0 AMB  9-2:214       0 AMB  9-1:214     4.20    (#    214:9   Double Ambig)
 &rst
  ixpk= 214, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 301, 323, 324, 323, 324,
 igr2= 294, 365,
 &end
#
#   27 ALA  MB           29 ILE  HN          5.20    (#    215:9   Unique         2.65, 3.72 A)
 &rst
  ixpk= 215, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 423, 424, 425,
 &end
#
#   29 ILE  QG2          29 ILE  HN          2.20    (#    216:9   Unique         2.27, 3.19 A)
 &rst
  ixpk= 216, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 449, 450, 451,
 &end
#
#   24 ALA  MB           24 ALA  HN          2.80    (#    217:9   Unique)
 &rst
  ixpk= 217, nxpk= 9, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:218      20 LEU  HN          2.80    (#    218:9   Single Ambig)
 &rst
  ixpk= 218, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 279, 280, 298, 299,
 &end
#
#   20 LEU  MDY          20 LEU  HN          4.50    (#    219:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 219, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          20 LEU  HN          5.20    (#    220:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 220, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          21 LYS  HN          5.60    (#    221:9   Unique         3.67, 5.24 A)
 &rst
  ixpk= 221, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   10 VAL  MGX           8 ILE  QD1         4.50    (#    222:9   Unique)
 &rst
  ixpk= 222, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:223       0 AMB  9-1:223     5.60    (#    223:9   Double Ambig)
 &rst
  ixpk= 223, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 igr2= 313, 397,
 &end
#
#   29 ILE  QD1          26 LYS  HN          5.20    (#    224:9   Unique         5.60, 6.50 A)
 &rst
  ixpk= 224, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#    0 AMB  9-2:225      21 LYS  HN          4.20    (#    225:9   Single Ambig)
 &rst
  ixpk= 225, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:226       0 AMB  9-1:226     2.80    (#    226:9   Double Ambig)
 &rst
  ixpk= 226, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 382, 383, 298, 299, 320, 321,
 igr2= 397, 313,
 &end
#
#    0 AMB  9-2:227      26 LYS  HN          2.80    (#    227:9   Single Ambig)
 &rst
  ixpk= 227, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:228       0 AMB  9-1:228     2.80    (#    228:9   Double Ambig)
 &rst
  ixpk= 228, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  33,  34,  33,  34, 379, 380, 379, 380,
 igr2=  29, 397,
 &end
#
#    4 GLN  HG-           4 GLN  HN          5.20    (#    229:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 229, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=  36,  37,
 &end
#
#    0 AMB  9-2:230      21 LYS  HN          3.50    (#    230:9   Single Ambig)
 &rst
  ixpk= 230, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 317, 318, 317, 318,
 &end
#
#    5 VAL  HB            5 VAL  HN          3.50    (#    231:9   Unique         2.27, 2.84 A)
 &rst
  ixpk= 231, nxpk= 9, iat=  50,  46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:232       9 TRP  HN          4.20    (#    232:9   Single Ambig)
 &rst
  ixpk= 232, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:233       0 AMB  9-1:233     3.50    (#    233:9   Double Ambig)
 &rst
  ixpk= 233, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 205, 206, 123, 124, 123, 124,
 igr2= 201, 119,
 &end
#
#   15 GLU  HB+          15 GLU  HN          4.50    (#    234:9   Unique         2.07, 2.80 A)
 &rst
  ixpk= 234, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 205, 206,
 &end
#
#    0 AMB  9-2:235       7 THR  HN          5.20    (#    235:9   Single Ambig)
 &rst
  ixpk= 235, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=  66,  67,  66,  67,
 &end
#
#   31 VAL  HB           33 PHE  HD          5.60    (#    236:9   Unique         3.56, 5.06 A)
 &rst
  ixpk= 236, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#   14 PRO  HB+          15 GLU  HN          4.20    (#    237:9   Unique)
 &rst
  ixpk= 237, nxpk= 9, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 194, 195,
 &end
#
#   27 ALA  MB           27 ALA  HN          2.80    (#    238:9   Unique         2.03, 2.96 A)
 &rst
  ixpk= 238, nxpk= 9, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 423, 424, 425,
 &end
#
#   17 LEU  HG           17 LEU  HN          2.80    (#    239:9   Unique         1.92, 2.64 A)
 &rst
  ixpk= 239, nxpk= 9, iat= 238, 231, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 LYS  HG-          18 LYS  HN          4.20    (#    240:9   Unique         2.00, 3.83 A)
 &rst
  ixpk= 240, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 257, 258,
 &end
#
#    6 ARG  HG-           6 ARG  HE          4.50    (#    241:9   Unique         2.07, 2.97 A)
 &rst
  ixpk= 241, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#   24 ALA  MB           25 LYS  HN          3.50    (#    242:9   Unique         1.90, 2.99 A)
 &rst
  ixpk= 242, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:243      18 LYS  HN          4.50    (#    243:9   Single Ambig)
 &rst
  ixpk= 243, nxpk= 9, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 260, 261, 260, 261,
 &end
#
#    0 AMB  9-2:244      23 GLU  HN          4.20    (#    244:9   Single Ambig)
 &rst
  ixpk= 244, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:245      23 GLU  HN          2.80    (#    245:9   Double Ambig)
 &rst
  ixpk= 245, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 339, 340, 354, 355,
 &end
#
#    0 AMB  9-2:246      25 LYS  HN          2.80    (#    246:9   Single Ambig)
 &rst
  ixpk= 246, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 379, 380, 379, 380,
 &end
#
#    0 AMB  9-2:247      25 LYS  HN          5.20    (#    247:9   Single Ambig)
 &rst
  ixpk= 247, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 385, 386, 385, 386,
 &end
#
#   24 ALA  MB           33 PHE  HE          4.20    (#    248:9   Unique         4.89, 5.90 A)
 &rst
  ixpk= 248, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 369, 370, 371,
 igr2= 526, 530,
 &end
#
#   31 VAL  HB           33 PHE  HE          4.20    (#    249:9   Unique         1.98, 3.90 A)
 &rst
  ixpk= 249, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 526, 530,
 &end
#
#   24 ALA  MB           33 PHE  HZ          4.20    (#    250:9   Unique         3.75, 4.52 A)
 &rst
  ixpk= 250, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 369, 370, 371,
 &end
#
#   31 VAL  HB           33 PHE  HZ          4.20    (#    251:9   Unique         3.22, 3.68 A)
 &rst
  ixpk= 251, nxpk= 9, iat= 490, 528, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    5 VAL  MGY           5 VAL  HN          4.20    (#    253:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 253, nxpk= 9, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGX           5 VAL  HN          4.50    (#    254:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 254, nxpk= 9, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    8 ILE  QD1           9 TRP  HN          4.20    (#    255:9   Unique)
 &rst
  ixpk= 255, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 113, 114, 115,
 &end
#
#    0 AMB  9-2:256      27 ALA  HN          5.60    (#    256:9   Double Ambig)
 &rst
  ixpk= 256, nxpk= 9, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 453, 454, 453, 454,
 &end
#
#   17 LEU  HB-          17 LEU  HN          3.50    (#    257:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 257, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 235, 236,
 &end
#
#   20 LEU  HG           17 LEU  HN          5.60    (#    258:9   Unique         3.91, 4.60 A)
 &rst
  ixpk= 258, nxpk= 9, iat= 301, 231, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ILE  QD1          23 GLU  HN          5.60    (#    259:9   Unique         4.37, 5.86 A)
 &rst
  ixpk= 259, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 456, 457, 458,
 &end
#
#   17 LEU  HB+          17 LEU  HN          5.20    (#    260:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 260, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 235, 236,
 &end
#
#   17 LEU  HB+          33 PHE  HD          5.60    (#    261:9   Unique         4.86, 6.60 A)
 &rst
  ixpk= 261, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 235, 236,
 igr2= 524, 532,
 &end
#
#   17 LEU  HB+          33 PHE  HE          5.60    (#    262:9   Unique         4.21, 6.07 A)
 &rst
  ixpk= 262, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 235, 236,
 igr2= 526, 530,
 &end
#
#   31 VAL  MGY          31 VAL  HN          2.80    (#    263:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 263, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          31 VAL  HN          4.50    (#    264:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 264, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   29 ILE  QD1          31 VAL  HN          5.20    (#    265:9   Unique         3.90, 5.29 A)
 &rst
  ixpk= 265, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 456, 457, 458,
 &end
#
#   25 LYS  HG+          25 LYS  HN          5.20    (#    266:9   Unique         1.93, 3.02 A)
 &rst
  ixpk= 266, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 382, 383,
 &end
#
#    0 AMB  9-2:267       0 AMB  9-1:267     5.20    (#    267:9   Double Ambig)
 &rst
  ixpk= 267, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 456, 457, 458, 508, 509, 510,
 igr2=  75, 553,
 &end
#
#    0 AMB  9-2:268       0 AMB  9-1:268     5.20    (#    268:9   Double Ambig)
 &rst
  ixpk= 268, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 447, 113, 114, 115,
 igr2=  75, 553,
 &end
#
#    8 ILE  QD1          33 PHE  HD          2.80    (#    269:9   Unique         2.31, 5.66 A)
 &rst
  ixpk= 269, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 113, 114, 115,
 igr2= 524, 532,
 &end
#
#   32 THR  MG2          34 TRP  HH2         3.50    (#    270:9   Unique)
 &rst
  ixpk= 270, nxpk= 9, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 508, 509, 510,
 &end
#
#    0 AMB  9-2:271      33 PHE  HD          4.50    (#    271:9   Single Ambig)
 &rst
  ixpk= 271, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 301, 323, 324, 323, 324,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:272      33 PHE  HE          2.80    (#    272:9   Single Ambig)
 &rst
  ixpk= 272, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 323, 324, 323, 324,
 igr2= 526, 530,
 &end
#
#   32 THR  MG2          34 TRP  HE3         4.20    (#    273:9   Unique         3.02, 4.36 A)
 &rst
  ixpk= 273, nxpk= 9, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#    8 ILE  QD1          33 PHE  HE          4.50    (#    274:9   Unique)
 &rst
  ixpk= 274, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 113, 114, 115,
 igr2= 526, 530,
 &end
#
#    0 AMB  9-2:275      33 PHE  HZ          2.80    (#    275:9   Single Ambig)
 &rst
  ixpk= 275, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 323, 324, 323, 324,
 &end
#
#   32 THR  MG2          34 TRP  HZ2         4.20    (#    276:9   Unique         2.94, 4.00 A)
 &rst
  ixpk= 276, nxpk= 9, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#    7 THR  MG2           9 TRP  HD1         4.50    (#    277:9   Unique         2.64, 3.31 A)
 &rst
  ixpk= 277, nxpk= 9, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 &end
#
#   31 VAL  MGY          33 PHE  HZ          4.50    (#    278:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 278, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGX           0 AMB  9-1:279     5.20    (#    279:9   Single Ambig)
 &rst
  ixpk= 279, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 526, 530, 555,
 &end
#
#   31 VAL  MGY          33 PHE  HE          3.50    (#    280:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 280, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 526, 530,
 &end
#
#   10 VAL  MGX          33 PHE  HD          4.50    (#    281:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 281, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 524, 532,
 &end
#
#   31 VAL  MGY          33 PHE  HD          5.20    (#    282:9   Unique         4.13, 6.58 A)
 &rst
  ixpk= 282, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 524, 532,
 &end
#
#   10 VAL  MGY           0 AMB  9-1:283     4.20    (#    283:9   Single Ambig)
 &rst
  ixpk= 283, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 526, 530, 555,
 &end
#
#   10 VAL  MGY          33 PHE  HD          4.20    (#    284:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 284, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 524, 532,
 &end
#
#   33 PHE  HZ           10 VAL  MGY         5.20    (#    285:9   Unique)
 &rst
  ixpk= 285, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   12 GLY  HN           11 GLY  HA+         3.50    (#    286:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 286, nxpk= 9, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 161, 162,
 &end
#
#    8 ILE  HN            7 THR  HA          2.20    (#    287:9   Unique         2.15, 2.21 A)
 &rst
  ixpk= 287, nxpk= 9, iat= 100,  88, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   30 ARG  HN           29 ILE  HA          2.80    (#    288:9   Unique         2.29, 2.34 A)
 &rst
  ixpk= 288, nxpk= 9, iat= 462, 445, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 VAL  HN            9 TRP  HA          2.80    (#    289:9   Unique         2.26, 2.27 A)
 &rst
  ixpk= 289, nxpk= 9, iat= 143, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ARG  HN           30 ARG  HB-         4.50    (#    290:9   Unique         2.26, 3.24 A)
 &rst
  ixpk= 290, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   30 ARG  HN           30 ARG  HB+         3.50    (#    291:9   Unique         3.65, 4.43 A)
 &rst
  ixpk= 291, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 466, 467,
 &end
#
#    8 ILE  HN            8 ILE  QG2         5.20    (#    292:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 292, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 106, 107, 108,
 &end
#
#    8 ILE  HN            7 THR  MG2         3.50    (#    293:9   Unique)
 &rst
  ixpk= 293, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#    8 ILE  HN            8 ILE  QD1         4.50    (#    294:9   Unique)
 &rst
  ixpk= 294, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   34 TRP  HN           10 VAL  MGY         4.50    (#    295:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 295, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   34 TRP  HN           10 VAL  MGX         5.20    (#    296:9   Unique         2.61, 4.84 A)
 &rst
  ixpk= 296, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  HN           10 VAL  MGX         4.50    (#    297:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 297, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   32 THR  HN           31 VAL  MGY         5.20    (#    298:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 298, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  HN           10 VAL  MGY         5.20    (#    299:9   Unique         1.82, 3.25 A)
 &rst
  ixpk= 299, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   32 THR  HN           31 VAL  MGX         4.50    (#    300:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 300, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   22 GLU  HN           20 LEU  MDX         6.00    (#    301:9   Unique         5.26, 6.54 A)
 &rst
  ixpk= 301, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  HN           20 LEU  MDX         5.20    (#    302:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 302, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    6 ARG  HN            0 AMB  9-1:303     4.20    (#    303:9   Double Ambig)
 &rst
  ixpk= 303, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 453, 454, 453, 454,
 &end
#
#    6 ARG  HN           29 ILE  HB          2.80    (#    304:9   Unique)
 &rst
  ixpk= 304, nxpk= 9, iat=  62, 447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 PHE  HN           32 THR  MG2         3.50    (#    305:9   Unique)
 &rst
  ixpk= 305, nxpk= 9, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#   32 THR  HN            8 ILE  QG2         3.50    (#    306:9   Unique         3.66, 4.59 A)
 &rst
  ixpk= 306, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 106, 107, 108,
 &end
#
#   10 VAL  HN           10 VAL  HB          5.20    (#    307:9   Unique         3.58, 3.64 A)
 &rst
  ixpk= 307, nxpk= 9, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   32 THR  HN           31 VAL  HB          3.50    (#    308:9   Unique         3.43, 3.52 A)
 &rst
  ixpk= 308, nxpk= 9, iat= 502, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLU  HN            0 AMB  9-1:309     2.80    (#    309:9   Single Ambig)
 &rst
  ixpk= 309, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 220, 221, 220, 221,
 &end
#
#   10 VAL  HN            0 AMB  9-1:310     4.20    (#    310:9   Single Ambig)
 &rst
  ixpk= 310, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 123, 124, 123, 124,
 &end
#
#   16 GLU  HN           16 GLU  HG-         4.20    (#    311:9   Unique)
 &rst
  ixpk= 311, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 223, 224,
 &end
#
#   34 TRP  HN           34 TRP  HB-         5.20    (#    312:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 312, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   34 TRP  HN            0 AMB  9-1:313     4.20    (#    313:9   Single Ambig)
 &rst
  ixpk= 313, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 520, 521, 520, 521,
 &end
#
#   33 PHE  HN            0 AMB  9-1:314     3.50    (#    314:9   Single Ambig)
 &rst
  ixpk= 314, nxpk= 9, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 520, 521, 520, 521,
 &end
#
#   12 GLY  HN           11 GLY  HA-         4.20    (#    315:9   Unique         2.42, 3.15 A)
 &rst
  ixpk= 315, nxpk= 9, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 161, 162,
 &end
#
#   32 THR  HN           32 THR  HB          4.20    (#    316:9   Unique         2.39, 2.49 A)
 &rst
  ixpk= 316, nxpk= 9, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    6 ARG  HN            5 VAL  HA          2.20    (#    317:9   Unique         2.20, 2.23 A)
 &rst
  ixpk= 317, nxpk= 9, iat=  62,  48, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   11 GLY  HA-          11 GLY  HA+         2.80    (#    318:9   Unique)
#This appears to be self-referential: ignoring
#
#   11 GLY  HA+          11 GLY  HA-         2.80    (#    319:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HN           17 LEU  HB-         4.50    (#    320:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 320, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 235, 236,
 &end
#
#    7 THR  HA            7 THR  HB          5.20    (#    322:9   Unique         2.98, 3.04 A)
 &rst
  ixpk= 322, nxpk= 9, iat=  88,  90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:323       0 AMB  9-1:323     5.20    (#    323:9   Double Ambig)
 &rst
  ixpk= 323, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 294, 365,
 igr2= 223, 224, 357, 358,
 &end
#
#   35 GLY  HA-          35 GLY  HA+         2.20    (#    324:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HA           29 ILE  HA          5.20    (#    325:9   Unique)
 &rst
  ixpk= 325, nxpk= 9, iat= 431, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HA           28 ASN  HA          5.20    (#    326:9   Unqiue)
 &rst
  ixpk= 326, nxpk= 9, iat= 445, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HA           28 ASN  HB+         3.50    (#    327:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 327, nxpk= 9, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 433, 434,
 &end
#
#   28 ASN  HA           28 ASN  HB-         4.20    (#    328:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 328, nxpk= 9, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 433, 434,
 &end
#
#   36 ASP  HA           34 TRP  HB-         3.50    (#    329:9   Unique         3.45, 4.17 A)
 &rst
  ixpk= 329, nxpk= 9, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 540, 541,
 &end
#
#   34 TRP  HA           34 TRP  HB+         4.20    (#    330:9   Unique         2.64, 2.82 A)
 &rst
  ixpk= 330, nxpk= 9, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 540, 541,
 &end
#
#   33 PHE  HA            0 AMB  9-1:332     3.50    (#    332:9   Single Ambig)
 &rst
  ixpk= 332, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 520, 521, 520, 521,
 &end
#
#    0 AMB  9-2:333       0 AMB  9-1:333     4.20    (#    333:9   Double Ambig)
 &rst
  ixpk= 333, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 252, 399, 218,
 igr2= 257, 258, 404, 405, 279, 280,
 &end
#
#    8 ILE  HA            0 AMB  9-1:337     3.50    (#    337:9   Single Ambig)
 &rst
  ixpk= 337, nxpk= 9, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 110, 111, 110, 111,
 &end
#
#    9 TRP  HA            0 AMB  9-1:338     2.80    (#    338:9   Single Ambig)
 &rst
  ixpk= 338, nxpk= 9, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 123, 124, 123, 124,
 &end
#
#   31 VAL  HA           31 VAL  HB          3.50    (#    339:9   Unique         2.49, 2.52 A)
 &rst
  ixpk= 339, nxpk= 9, iat= 488, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  HA           10 VAL  HB          5.20    (#    340:9   Unique         2.45, 2.51 A)
 &rst
  ixpk= 340, nxpk= 9, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    7 THR  HA            7 THR  MG2         4.20    (#    341:9   Unique         2.52, 3.29 A)
 &rst
  ixpk= 341, nxpk= 9, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  92,  93,  94,
 &end
#
#    9 TRP  HA           10 VAL  MGX         5.60    (#    342:9   Unique         3.75, 5.04 A)
 &rst
  ixpk= 342, nxpk= 9, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HA           10 VAL  MGY         5.20    (#    343:9   Unique         1.93, 3.93 A)
 &rst
  ixpk= 343, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  HA           10 VAL  MGY         3.50    (#    344:9   Unique         2.45, 3.45 A)
 &rst
  ixpk= 344, nxpk= 9, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  HA           31 VAL  MGY         4.50    (#    345:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 345, nxpk= 9, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HA           31 VAL  MGX         2.80    (#    346:9   Unique         2.22, 3.45 A)
 &rst
  ixpk= 346, nxpk= 9, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:347       0 AMB  9-1:347     3.50    (#    347:9   Double Ambig)
 &rst
  ixpk= 347, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64, 102,
 igr2=  52,  53,  54,  56,  57,  58, 113, 114, 115,
 &end
#
#   32 THR  HA           32 THR  MG2         3.50    (#    349:9   Unique         2.24, 3.07 A)
 &rst
  ixpk= 349, nxpk= 9, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#    6 ARG  HA            6 ARG  HG+         4.20    (#    350:9   Unique         2.01, 3.55 A)
 &rst
  ixpk= 350, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=  69,  70,
 &end
#
#   30 ARG  HA           31 VAL  MGY         5.20    (#    351:9   Unique         3.49, 4.85 A)
 &rst
  ixpk= 351, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.20    (#    352:9   Unique         2.26, 2.66 A)
 &rst
  ixpk= 352, nxpk= 9, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 423, 424, 425,
 &end
#
#   30 ARG  HA           30 ARG  HG-         5.20    (#    353:9   Unique         2.61, 3.72 A)
 &rst
  ixpk= 353, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 469, 470,
 &end
#
#    0 AMB  9-2:354       0 AMB  9-1:354     4.50    (#    354:9   Double Ambig)
 &rst
  ixpk= 354, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 464, 421,
 igr2= 466, 467, 407, 408,
 &end
#
#   30 ARG  HA           30 ARG  HB-         4.20    (#    355:9   Unique         2.29, 2.53 A)
 &rst
  ixpk= 355, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 466, 467,
 &end
#
#    4 GLN  HA            0 AMB  9-1:356     4.50    (#    356:9   Single Ambig)
 &rst
  ixpk= 356, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  33,  34,  33,  34,
 &end
#
#   25 LYS  HA            0 AMB  9-1:357     3.50    (#    357:9   Single Ambig)
 &rst
  ixpk= 357, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 379, 380, 379, 380,
 &end
#
#   17 LEU  HA           17 LEU  HB+         4.20    (#    358:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 358, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 235, 236,
 &end
#
#   20 LEU  HA           20 LEU  MDX         2.80    (#    359:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 359, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   21 LYS  HA            0 AMB  9-1:360     3.50    (#    360:9   Single Ambig)
 &rst
  ixpk= 360, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 323, 324, 323, 324,
 &end
#
#   20 LEU  HA           20 LEU  HB+         3.50    (#    361:9   Unique)
 &rst
  ixpk= 361, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   17 LEU  HA           17 LEU  HG          3.50    (#    362:9   Unique         2.19, 2.77 A)
 &rst
  ixpk= 362, nxpk= 9, iat= 233, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 VAL  MGY           8 ILE  QG2         6.00    (#    364:9   Unique )
 &rst
  ixpk= 364, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:365       0 AMB  9-1:365     3.50    (#    365:9   Double Ambig)
 &rst
  ixpk= 365, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 263, 264, 263, 264, 263, 264,
 igr2= 260, 261, 260, 261, 260, 261,
 &end
#
#   34 TRP  HB-          34 TRP  HB+         2.20    (#    366:9   Unique)
#This appears to be self-referential: ignoring
#
#   34 TRP  HB+          34 TRP  HB-         2.20    (#    367:9   Unique)
#This appears to be self-referential: ignoring
#
#   23 GLU  HG+          23 GLU  HB+         2.80    (#    368:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 368, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:369      17 LEU  MDX         4.20    (#    369:9   Single Ambig)
 &rst
  ixpk= 369, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 520, 521, 520, 521,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDX           0 AMB  9-1:370     4.50    (#    370:9   Single Ambig)
 &rst
  ixpk= 370, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 520, 521, 520, 521,
 &end
#
#   17 LEU  MDY          17 LEU  MDX         4.20    (#    371:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:372       0 AMB  9-1:372     2.80    (#    372:9   Double Ambig)
 &rst
  ixpk= 372, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 342, 343, 317, 318, 317, 318, 317, 318,
 igr2= 404, 405, 320, 321, 320, 321, 320, 321,
 &end
#
#    0 AMB  9-2:373      31 VAL  HB          3.50    (#    373:9   Single Ambig)
 &rst
  ixpk= 373, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 110, 111, 110, 111,
 &end
#
#   29 ILE  QD1          31 VAL  MGY         3.50    (#    374:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 374, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 456, 457, 458,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   33 PHE  HZ           31 VAL  MGY         4.50    (#    375:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 375, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   17 LEU  HG           17 LEU  HB+         4.20    (#    376:9   Unique         2.34, 2.76 A)
 &rst
  ixpk= 376, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 235, 236,
 &end
#
#   17 LEU  MDY          17 LEU  HB+         4.50    (#    377:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 377, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB+          17 LEU  HB-         2.20    (#    378:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HB-          17 LEU  HB+         2.20    (#    379:9   Unique)
#This appears to be self-referential: ignoring
#
#   10 VAL  HB           10 VAL  MGY         2.80    (#    380:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 380, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  HB           10 VAL  MGY         4.50    (#    381:9   Unique         4.43, 5.62 A)
 &rst
  ixpk= 381, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  HG           10 VAL  MGY         3.50    (#    382:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 382, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#    0 AMB  9-2:383      10 VAL  MGY         5.20    (#    383:9   Single Ambig)
 &rst
  ixpk= 383, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1= 113, 114, 115, 179, 180, 181,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          31 VAL  MGX         4.50    (#    384:9   Unique)
 &rst
  ixpk= 384, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   23 GLU  HB+          31 VAL  MGX         3.50    (#    385:9   Unique         3.56, 5.64 A)
 &rst
  ixpk= 385, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 354, 355,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    4 GLN  HG-           0 AMB  9-1:386     3.50    (#    386:9   Single Ambig)
 &rst
  ixpk= 386, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  36,  37,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:387      19 LYS  HG-         4.20    (#    387:9   Single Ambig)
 &rst
  ixpk= 387, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 276, 277, 276, 277,
 igr2= 279, 280,
 &end
#
#    0 AMB  9-2:388      20 LEU  MDY         4.20    (#    388:9   Single Ambig)
 &rst
  ixpk= 388, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 110, 111, 110, 111,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  QG2           0 AMB  9-1:389     2.20    (#    389:9   Single Ambig)
 &rst
  ixpk= 389, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 449, 450, 451,
 igr2= 453, 454, 453, 454,
 &end
#
#   17 LEU  HB+          17 LEU  MDY         4.20    (#    390:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 390, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  HB+          17 LEU  HG          4.20    (#    391:9   Unique         2.34, 2.76 A)
 &rst
  ixpk= 391, nxpk= 9, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 235, 236,
 &end
#
#   31 VAL  MGX          10 VAL  MGY         4.50    (#    392:9   Unique)
 &rst
  ixpk= 392, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY           0 AMB  9-1:393     4.20    (#    393:9   Single Ambig)
 &rst
  ixpk= 393, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 113, 114, 115, 179, 180, 181,
 &end
#
#   10 VAL  MGY          20 LEU  HG          3.50    (#    394:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 394, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          10 VAL  HB          2.80    (#    395:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 395, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGY          31 VAL  HB          4.50    (#    396:9   Unique         4.43, 5.62 A)
 &rst
  ixpk= 396, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDX          20 LEU  HB+         2.80    (#    397:9   Unique)
 &rst
  ixpk= 397, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 298, 299,
 &end
#
#   10 VAL  MGX          10 VAL  HB          3.50    (#    398:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 398, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   31 VAL  MGY          31 VAL  HB          2.20    (#    399:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 399, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   20 LEU  HB+          20 LEU  MDX         2.80    (#    400:9   Unique)
 &rst
  ixpk= 400, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   10 VAL  HB           10 VAL  MGX         3.50    (#    401:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 401, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   24 ALA  MB           31 VAL  MGY         3.50    (#    402:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 402, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 369, 370, 371,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HB           31 VAL  MGY         2.80    (#    403:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 403, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  HB           31 VAL  MGX         2.80    (#    404:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 404, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:405       0 AMB  9-1:405     2.20    (#    405:9   Double Ambig)
 &rst
  ixpk= 405, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 260, 261, 260, 261, 407, 408, 407, 408,
 &end
#
#    5 VAL  HB            5 VAL  MGX         2.80    (#    406:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 406, nxpk= 9, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  HB            5 VAL  MGY         3.50    (#    407:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 407, nxpk= 9, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   23 GLU  HB+          29 ILE  QD1         4.20    (#    408:9   Unique         1.97, 3.73 A)
 &rst
  ixpk= 408, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 354, 355,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:409       7 THR  MG2         4.20    (#    409:9   Single Ambig)
 &rst
  ixpk= 409, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 123, 124, 123, 124,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  9-2:410       0 AMB  9-1:410     2.80    (#    410:9   Double Ambig)
 &rst
  ixpk= 410, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 317, 318, 317, 318, 317, 318,
 igr2= 323, 324, 323, 324, 323, 324,
 &end
#
#    0 AMB  9-2:411       8 ILE  QD1         2.80    (#    411:9   Single Ambig)
 &rst
  ixpk= 411, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 110, 111, 110, 111,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:412      31 VAL  MGY         3.50    (#    412:9   Single Ambig)
 &rst
  ixpk= 412, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 323, 324, 323, 324,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          23 GLU  HB+         3.50    (#    413:9   Unique         3.56, 5.64 A)
 &rst
  ixpk= 413, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:414       4 GLN  HG-         3.50    (#    414:9   Single Ambig)
 &rst
  ixpk= 414, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 453, 454, 453, 454,
 igr2=  36,  37,
 &end
#
#    5 VAL  MGX           5 VAL  HB          2.80    (#    415:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 415, nxpk= 9, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGY           5 VAL  HB          3.50    (#    416:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 416, nxpk= 9, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   31 VAL  MGX          31 VAL  HB          2.80    (#    417:9   Unique         2.23, 2.65 A)
 &rst
  ixpk= 417, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:418      27 ALA  MB          3.50    (#    418:9   Single Ambig)
 &rst
  ixpk= 418, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 453, 454, 453, 454,
 igr2= 423, 424, 425,
 &end
#
#    8 ILE  QD1           8 ILE  QG2         3.50    (#    419:9   Unique         2.52, 4.57 A)
 &rst
  ixpk= 419, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 113, 114, 115,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:420       0 AMB  9-1:420     2.20    (#    420:9   Double Ambig)
 &rst
  ixpk= 420, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 323, 324, 323, 324, 323, 324, 301,
 igr2= 320, 321, 320, 321, 320, 321, 298, 299,
 &end
#
#    8 ILE  HB            8 ILE  QG2         2.20    (#    421:9   Unique         2.33, 2.64 A)
 &rst
  ixpk= 421, nxpk= 9, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 106, 107, 108,
 &end
#
#    0 AMB  9-2:422      24 ALA  MB          2.80    (#    422:9   Single Ambig)
 &rst
  ixpk= 422, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 323, 324, 323, 324,
 igr2= 369, 370, 371,
 &end
#
#    0 AMB  9-2:423       0 AMB  9-1:423     2.20    (#    423:9   Double Ambig)
 &rst
  ixpk= 423, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 323, 324, 323, 324, 323, 324,
 igr2= 385, 386, 385, 386, 385, 386,
 &end
#
#    0 AMB  9-2:424       0 AMB  9-1:424     2.80    (#    424:9   Double Ambig)
 &rst
  ixpk= 424, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 323, 324, 323, 324, 323, 324,
 igr2= 317, 318, 317, 318, 317, 318,
 &end
#
#    7 THR  MG2           0 AMB  9-1:425     4.20    (#    425:9   Single Ambig)
 &rst
  ixpk= 425, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  92,  93,  94,
 igr2= 123, 124, 123, 124,
 &end
#
#   29 ILE  QD1          23 GLU  HB+         3.50    (#    426:9   Unique         1.97, 3.73 A)
 &rst
  ixpk= 426, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 456, 457, 458,
 igr2= 354, 355,
 &end
#
#    0 AMB  9-2:427       0 AMB  9-1:427     2.80    (#    427:9   Double Ambig)
 &rst
  ixpk= 427, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 404, 405, 320, 321, 320, 321, 320, 321,
 igr2= 342, 343, 317, 318, 317, 318, 317, 318,
 &end
#
#   17 LEU  MDX          17 LEU  MDY         4.20    (#    428:9   Unique)
#This appears to be self-referential: ignoring
#
#   19 LYS  HG-           0 AMB  9-1:429     3.50    (#    429:9   Single Ambig)
 &rst
  ixpk= 429, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 279, 280,
 igr2= 276, 277, 276, 277,
 &end
#
#   19 LYS  HG-           0 AMB  9-1:430     2.80    (#    430:9   Single Ambig)
 &rst
  ixpk= 430, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 279, 280,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  9-2:431      19 LYS  HG-         2.80    (#    431:9   Single Ambig)
 &rst
  ixpk= 431, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 282, 283, 282, 283,
 igr2= 279, 280,
 &end
#
#    0 AMB  9-2:432       0 AMB  9-1:432     2.80    (#    432:9   Double Ambig)
 &rst
  ixpk= 432, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 320, 321, 320, 321, 320, 321, 298, 299,
 igr2= 323, 324, 323, 324, 323, 324, 301,
 &end
#
#    8 ILE  QG2           8 ILE  HB          2.80    (#    433:9   Unique         2.33, 2.64 A)
 &rst
  ixpk= 433, nxpk= 9, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 106, 107, 108,
 &end
#
#    8 ILE  QG2           8 ILE  QD1         3.50    (#    434:9   Unique         2.52, 4.57 A)
 &rst
  ixpk= 434, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 106, 107, 108,
 igr2= 113, 114, 115,
 &end
#
#   27 ALA  MB            0 AMB  9-1:435     3.50    (#    435:9   Single Ambig)
 &rst
  ixpk= 435, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 423, 424, 425,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  QG2          29 ILE  QD1         3.50    (#    436:9   Unique         3.05, 4.41 A)
 &rst
  ixpk= 436, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 449, 450, 451,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:437       0 AMB  9-1:437     2.20    (#    437:9   Double Ambig)
 &rst
  ixpk= 437, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 385, 386, 385, 386, 385, 386,
 igr2= 323, 324, 323, 324, 323, 324,
 &end
#
#   24 ALA  MB            0 AMB  9-1:438     2.80    (#    438:9   Single Ambig)
 &rst
  ixpk= 438, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 369, 370, 371,
 igr2= 323, 324, 323, 324,
 &end
#
#   23 GLU  HB+          23 GLU  HG+         2.80    (#    439:9   Unique         2.26, 2.72 A)
 &rst
  ixpk= 439, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 354, 355,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:440       0 AMB  9-1:440     4.50    (#    440:9   Double Ambig)
 &rst
  ixpk= 440, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 260, 261, 260, 261, 260, 261,
 igr2= 263, 264, 263, 264, 263, 264,
 &end
#
#    0 AMB  9-2:441       0 AMB  9-1:441     4.20    (#    441:9   Double Ambig)
 &rst
  ixpk= 441, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 385, 386, 385, 386, 385, 386,
 igr2= 388, 389, 388, 389, 388, 389,
 &end
#
#    8 ILE  QD1           0 AMB  9-1:443     4.50    (#    443:9   Single Ambig)
 &rst
  ixpk= 443, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 113, 114, 115,
 igr2= 520, 521, 520, 521,
 &end
#
#   29 ILE  HB           28 ASN  HB-         6.00    (#    444:9   Unique         5.66, 6.47 A)
 &rst
  ixpk= 444, nxpk= 9, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 433, 434,
 &end
#
#    8 ILE  QD1           0 AMB  9-1:446     2.80    (#    446:9   Single Ambig)
 &rst
  ixpk= 446, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 113, 114, 115,
 igr2= 110, 111, 110, 111,
 &end
#
#   17 LEU  HG           17 LEU  HA          3.50    (#    448:9   Unique)
 &rst
  ixpk= 448, nxpk= 9, iat= 238, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HB+          20 LEU  HA          4.20    (#    449:9   Unique)
 &rst
  ixpk= 449, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 298, 299,
 &end
#
#    0 AMB  9-2:450      19 LYS  HA          2.80    (#    450:9   Single Ambig)
 &rst
  ixpk= 450, nxpk= 9, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 276, 277, 276, 277,
 &end
#
#   20 LEU  MDX          20 LEU  HA          2.80    (#    451:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 451, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:452      24 ALA  HA          3.50    (#    452:9   Single Ambig)
 &rst
  ixpk= 452, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:453      21 LYS  HA          3.50    (#    453:9   Single Ambig)
 &rst
  ixpk= 453, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 323, 324, 323, 324,
 &end
#
#   29 ILE  QD1          29 ILE  HA          4.50    (#    454:9   Unique         4.26, 4.86 A)
 &rst
  ixpk= 454, nxpk= 9, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#    5 VAL  MGY           5 VAL  HA          4.50    (#    455:9   Unique         2.10, 3.28 A)
 &rst
  ixpk= 455, nxpk= 9, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:456       5 VAL  HA          4.20    (#    456:9   Single Ambig)
 &rst
  ixpk= 456, nxpk= 9, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  52,  53,  54,  56,  57,  58, 447,
 &end
#
#   32 THR  MG2          32 THR  HB          4.20    (#    457:9   Unique)
 &rst
  ixpk= 457, nxpk= 9, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 508, 509, 510,
 &end
#
#   20 LEU  HG           20 LEU  HA          3.50    (#    458:9   Unique         3.55, 3.58 A)
 &rst
  ixpk= 458, nxpk= 9, iat= 301, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  9-2:459       0 AMB  9-1:459     3.50    (#    459:9   Double Ambig)
 &rst
  ixpk= 459, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 252, 399, 218,
 &end
#
#    0 AMB  9-2:460       0 AMB  9-1:460     2.80    (#    460:9   Double Ambig)
 &rst
  ixpk= 460, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 220, 221, 220, 221, 354, 355,
 igr2= 218, 352,
 &end
#
#   22 GLU  HB+          22 GLU  HA          4.50    (#    461:9   Unique         2.31, 2.77 A)
 &rst
  ixpk= 461, nxpk= 9, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 339, 340,
 &end
#
#    0 AMB  9-2:462       0 AMB  9-1:462     4.20    (#    462:9   Double Ambig)
 &rst
  ixpk= 462, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 223, 224, 342, 343,
 igr2= 177, 337,
 &end
#
#   16 GLU  HG+          16 GLU  HA          3.50    (#    463:9   Unique         3.14, 3.71 A)
 &rst
  ixpk= 463, nxpk= 9, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 223, 224,
 &end
#
#   13 THR  HB           20 LEU  MDY         5.60    (#    464:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 464, nxpk= 9, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   24 ALA  HA            0 AMB  9-1:465     3.50    (#    465:9   Single Ambig)
 &rst
  ixpk= 465, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  HA           29 ILE  QD1         4.50    (#    466:9   Unique         4.26, 4.86 A)
 &rst
  ixpk= 466, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 456, 457, 458,
 &end
#
#    5 VAL  HA            5 VAL  MGY         4.50    (#    467:9   Unique         2.10, 3.28 A)
 &rst
  ixpk= 467, nxpk= 9, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  HA            0 AMB  9-1:468     4.20    (#    468:9   Single Ambig)
 &rst
  ixpk= 468, nxpk= 9, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=  52,  53,  54,  56,  57,  58, 447,
 &end
#
#    0 AMB  9-2:469       0 AMB  9-1:469     4.20    (#    469:9   Double Ambig)
 &rst
  ixpk= 469, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  90, 506,
 igr2=  92,  93,  94, 508, 509, 510,
 &end
#
#   20 LEU  HA           20 LEU  HG          3.50    (#    470:9   Unique         3.55, 3.58 A)
 &rst
  ixpk= 470, nxpk= 9, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 LYS  HA            0 AMB  9-1:471     2.80    (#    471:9   Single Ambig)
 &rst
  ixpk= 471, nxpk= 9, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:472       0 AMB  9-1:472     3.50    (#    472:9   Double Ambig)
 &rst
  ixpk= 472, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 177, 337,
 igr2= 223, 224, 342, 343,
 &end
#
#   22 GLU  HA           22 GLU  HB+         3.50    (#    473:9   Unique         2.31, 2.77 A)
 &rst
  ixpk= 473, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#    474:9   Unique         3.14, 3.71 A)
 &rst
  ixpk= 474, nxpk= 9, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 223, 224,
 &end
#
#   22 GLU  HA            0 AMB  9-1:475     4.20    (#    475:9   Single Ambig)
 &rst
  ixpk= 475, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:476       0 AMB  9-1:476     2.20    (#    476:9   Double Ambig)
 &rst
  ixpk= 476, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 352, 252, 399,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
      
 &end
#
#    0 AMB  9-2:477       0 AMB  9-1:477     2.80    (#    477:9   Double Ambig)
 &rst
  ixpk= 477, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 218, 352,
 igr2= 220, 221, 220, 221, 354, 355,
 &end
#
#    0 AMB  9-2:478       0 AMB  9-1:478     3.50    (#    478:9   Double Ambig)
 &rst
  ixpk= 478, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 399, 252, 352,
 igr2= 407, 408, 407, 408, 260, 261, 260, 261,
 &end
#
#   24 ALA  HA           24 ALA  MB          4.20    (#    479:9   Unique         2.24, 2.66 A)
 &rst
  ixpk= 479, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 369, 370, 371,
 &end
#
#   23 GLU  HA           23 GLU  HG-         4.20    (#    480:9   Unique)
 &rst
  ixpk= 480, nxpk= 9, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:481       0 AMB  9-1:481     4.20    (#    481:9   Double Ambig)
 &rst
  ixpk= 481, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 352, 203,
 igr2= 357, 358, 208, 209, 342, 343,
 &end
#
#   15 GLU  HA           15 GLU  HG-         4.20    (#    482:9   Unique         2.28, 3.07 A)
 &rst
  ixpk= 482, nxpk= 9, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 208, 209,
 &end
#
#    0 AMB  9-2:484       0 AMB  9-1:484     4.50    (#    484:9   Double Ambig)
 &rst
  ixpk= 484, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 388, 389, 388, 389, 388, 389,
 igr2= 385, 386, 385, 386, 385, 386,
 &end
#
#   20 LEU  HB-          20 LEU  HN          3.50    (#    485:9   Unique         1.98, 2.62 A)
 &rst
  ixpk= 485, nxpk= 9, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 298, 299,
 &end
#
#    0 AMB  9-2:486       0 AMB  9-1:486     4.20    (#    486:9   Double Ambig)
 &rst
  ixpk= 486, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 354, 355, 220, 221, 220, 221, 339, 340,
 igr2= 365, 294,
 &end
#
#    0 AMB  9-2:487       0 AMB  9-1:487     4.20    (#    487:9   Double Ambig)
 &rst
  ixpk= 487, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 365, 294,
 &end
#
#    0 AMB  9-2:488       0 AMB  9-1:488     2.80    (#    488:9   Double Ambig)
 &rst
  ixpk= 488, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 102,  64,
 igr2= 119,  86,
 &end
#
#    8 ILE  HN           10 VAL  HN          5.60    (#    489:9   Unique)
 &rst
  ixpk= 489, nxpk= 9, iat= 100, 143, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   33 PHE  HA           33 PHE  HD          4.50    (#    490:9   Unique         2.10, 3.56 A)
 &rst
  ixpk= 490, nxpk= 9, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 532,
 &end
#
#   33 PHE  HZ            0 AMB  9-1:491     2.80    (#    491:9   Single Ambig)
 &rst
  ixpk= 491, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGY          10 VAL  MGX         2.80    (#    493:9   Unique)
#This appears to be self-referential: ignoring
#
#   31 VAL  MGY          31 VAL  MGX         2.80    (#    494:9   Unique)
#This appears to be self-referential: ignoring
#
#   31 VAL  MGX          31 VAL  MGY         2.80    (#    495:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDY          20 LEU  MDX         2.80    (#    496:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDX          20 LEU  MDY         2.80    (#    497:9   Unique)
#This appears to be self-referential: ignoring
#
#   20 LEU  MDX           8 ILE  QD1         4.20    (#    498:9   Unique         1.94, 4.51 A)
 &rst
  ixpk= 498, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 113, 114, 115,
 &end
#
#   29 ILE  QD1          31 VAL  MGX         2.20    (#    499:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 499, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 456, 457, 458,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    8 ILE  HB            8 ILE  QD1         2.20    (#    500:9   Unique         2.10, 2.82 A)
 &rst
  ixpk= 500, nxpk= 9, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 113, 114, 115,
 &end
#
#   20 LEU  HG           20 LEU  MDY         2.80    (#    501:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 501, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    8 ILE  QD1          20 LEU  MDX         4.20    (#    502:9   Unique         1.94, 4.51 A)
 &rst
  ixpk= 502, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 113, 114, 115,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX          29 ILE  QD1         2.20    (#    503:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 503, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 456, 457, 458,
 &end
#
#   31 VAL  MGY          29 ILE  QD1         3.50    (#    504:9   Unique         2.10, 4.59 A)
 &rst
  ixpk= 504, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:505      29 ILE  QG2         2.20    (#    505:9   Single Ambig)
 &rst
  ixpk= 505, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 453, 454, 453, 454,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  9-2:506      33 PHE  HZ          5.60    (#    506:9   Single Ambig)
 &rst
  ixpk= 506, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 320, 321, 320, 321, 298, 299,
 &end
#
#   17 LEU  HG           33 PHE  HE          5.20    (#    507:9   Unique         3.20, 5.22 A)
 &rst
  ixpk= 507, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 526, 530,
 &end
#
#    8 ILE  QD1          33 PHE  HZ          5.20    (#    508:9   Unique         5.25, 6.56 A)
 &rst
  ixpk= 508, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 113, 114, 115,
 &end
#
#   31 VAL  HN           31 VAL  MGY         2.80    (#    509:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 509, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   33 PHE  HE           31 VAL  MGY         3.50    (#    510:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 510, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 526, 530,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:511      10 VAL  MGY         4.50    (#    511:9   Single Ambig)
 &rst
  ixpk= 511, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 526, 530, 555,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD           10 VAL  MGY         4.50    (#    512:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 512, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 524, 532,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#    0 AMB  9-2:513      10 VAL  MGX         5.20    (#    513:9   Single Ambig)
 &rst
  ixpk= 513, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 526, 530, 555,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD           10 VAL  MGX         5.20    (#    514:9   Unique         1.96, 5.55 A)
 &rst
  ixpk= 514, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   33 PHE  HD            8 ILE  QD1         2.80    (#    515:9   Unique         2.31, 5.66 A)
 &rst
  ixpk= 515, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 524, 532,
 igr2= 113, 114, 115,
 &end
#
#   34 TRP  HH2          32 THR  MG2         3.50    (#    516:9   Unique)
 &rst
  ixpk= 516, nxpk= 9, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 508, 509, 510,
 &end
#
#   33 PHE  HE            0 AMB  9-1:517     2.80    (#    517:9   Single Ambig)
 &rst
  ixpk= 517, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 526, 530,
 igr2= 323, 324, 323, 324,
 &end
#
#   33 PHE  HE           24 ALA  MB          4.20    (#    518:9   Unique         4.89, 5.90 A)
 &rst
  ixpk= 518, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 526, 530,
 igr2= 369, 370, 371,
 &end
#
#   33 PHE  HZ           24 ALA  MB          4.50    (#    519:9   Unique         3.75, 4.52 A)
 &rst
  ixpk= 519, nxpk= 9, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 369, 370, 371,
 &end
#
#   25 LYS  HN           24 ALA  MB          4.20    (#    520:9   Unique         1.90, 2.99 A)
 &rst
  ixpk= 520, nxpk= 9, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 369, 370, 371,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#    521:9   Unique         2.03, 2.96 A)
 &rst
  ixpk= 521, nxpk= 9, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 423, 424, 425,
 &end
#
#    5 VAL  HN            5 VAL  MGY         4.20    (#    522:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 522, nxpk= 9, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   24 ALA  HN           24 ALA  MB          2.80    (#    523:9   Unique)
 &rst
  ixpk= 523, nxpk= 9, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 369, 370, 371,
 &end
#
#   17 LEU  HN           17 LEU  HG          2.80    (#    524:9   Unique         1.92, 2.64 A)
 &rst
  ixpk= 524, nxpk= 9, iat= 231, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 LYS  HN            0 AMB  9-1:525     4.20    (#    525:9   Single Ambig)
 &rst
  ixpk= 525, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 260, 261, 260, 261,
 &end
#
#   23 GLU  HN            0 AMB  9-1:526     4.20    (#    526:9   Single Ambig)
 &rst
  ixpk= 526, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 276, 277, 276, 277,
 &end
#
#   25 LYS  HN            0 AMB  9-1:527     2.80    (#    527:9   Single Ambig)
 &rst
  ixpk= 527, nxpk= 9, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 379, 380, 379, 380,
 &end
#
#   23 GLU  HN            0 AMB  9-1:528     2.80    (#    528:9   Double Ambig)
 &rst
  ixpk= 528, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 339, 340, 354, 355,
 &end
#
#    5 VAL  HN            5 VAL  HB          3.50    (#    529:9   Unique         2.27, 2.84 A)
 &rst
  ixpk= 529, nxpk= 9, iat=  46,  50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HN            0 AMB  9-1:530     2.80    (#    530:9   Single Ambig)
 &rst
  ixpk= 530, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 279, 280, 298, 299,
 &end
#
#   29 ILE  HN           29 ILE  QG2         2.20    (#    531:9   Unique         2.27, 3.19 A)
 &rst
  ixpk= 531, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 449, 450, 451,
 &end
#
#   26 LYS  HN            0 AMB  9-1:532     2.80    (#    532:9   Single Ambig)
 &rst
  ixpk= 532, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:533       0 AMB  9-1:533     3.50    (#    533:9   Double Ambig)
 &rst
  ixpk= 533, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  29, 397,
 igr2=  33,  34,  33,  34, 379, 380, 379, 380,
 &end
#
#   21 LYS  HN            0 AMB  9-1:534     2.80    (#    534:9   Single Ambig)
 &rst
  ixpk= 534, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 298, 299, 320, 321, 320, 321,
 &end
#
#   31 VAL  HN           31 VAL  MGX         5.20    (#    535:9   Unique         1.86, 3.18 A)
 &rst
  ixpk= 535, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   18 LYS  HN           18 LYS  HG-         4.50    (#    536:9   Unique         2.00, 3.83 A)
 &rst
  ixpk= 536, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 257, 258,
 &end
#
#    0 AMB  9-2:537       0 AMB  9-1:537     4.20    (#    537:9   Double Ambig)
 &rst
  ixpk= 537, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  46, 567,
 igr2=  31, 562, 563,
 &end
#
#   28 ASN  HN           28 ASN  HA          4.20    (#    538:9   Unique         2.20, 2.65 A)
 &rst
  ixpk= 538, nxpk= 9, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   17 LEU  HN           17 LEU  HA          4.20    (#    539:9   Unique         2.66, 2.69 A)
 &rst
  ixpk= 539, nxpk= 9, iat= 231, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   33 PHE  HE           17 LEU  HA          4.20    (#    540:9   Unique         3.33, 4.77 A)
 &rst
  ixpk= 540, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 526, 530,
 &end
#
#   33 PHE  HZ           17 LEU  HA          4.50    (#    541:9   Unique         3.46, 4.23 A)
 &rst
  ixpk= 541, nxpk= 9, iat= 528, 233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 LYS  HN           19 LYS  HA          4.20    (#    542:9   Unique         2.90, 2.91 A)
 &rst
  ixpk= 542, nxpk= 9, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   15 GLU  HN           15 GLU  HA          4.20    (#    543:9   Unique         2.78, 2.83 A)
 &rst
  ixpk= 543, nxpk= 9, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   26 LYS  HN           26 LYS  HA          3.50    (#    544:9   Unique)
 &rst
  ixpk= 544, nxpk= 9, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 ALA  HN           24 ALA  HA          4.20    (#    545:9   Unique         2.75, 2.80 A)
 &rst
  ixpk= 545, nxpk= 9, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   36 ASP  HN           34 TRP  HB-         5.20    (#    546:9   Unique         2.24, 3.08 A)
 &rst
  ixpk= 546, nxpk= 9, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   15 GLU  HN           15 GLU  HG-         4.50    (#    547:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 547, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 208, 209,
 &end
#
#   23 GLU  HN           23 GLU  HG+         4.50    (#    548:9   Unique         1.94, 3.30 A)
 &rst
  ixpk= 548, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 357, 358,
 &end
#
#   23 GLU  HN            0 AMB  9-1:549     4.20    (#    549:9   Single Ambig)
 &rst
  ixpk= 549, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 357, 358, 342, 343,
 &end
#
#   21 LYS  HN            0 AMB  9-1:550     3.50    (#    550:9   Single Ambig)
 &rst
  ixpk= 550, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:551       0 AMB  9-1:551     3.50    (#    551:9   Double Ambig)
 &rst
  ixpk= 551, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 250,
 igr2= 352, 252,
 &end
#
#   27 ALA  HN           23 GLU  HA          4.50    (#    552:9   Unique         1.93, 3.28 A)
 &rst
  ixpk= 552, nxpk= 9, iat= 419, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:553       0 AMB  9-1:553     4.20    (#    553:9   Double Ambig)
 &rst
  ixpk= 553, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  46, 567,
 igr2=  48, 562, 563,
 &end
#
#   16 GLU  HN            0 AMB  9-1:554     4.20    (#    554:9   Single Ambig)
 &rst
  ixpk= 554, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 218, 203,
 &end
#
#   35 GLY  HN           35 GLY  HA-         4.50    (#    555:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 555, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 562, 563,
 &end
#
#    0 AMB  9-2:556       0 AMB  9-1:556     4.20    (#    556:9   Double Ambig)
 &rst
  ixpk= 556, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 365, 294,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  9-2:557       0 AMB  9-1:557     4.50    (#    557:9   Double Ambig)
 &rst
  ixpk= 557, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 365, 294,
 igr2= 354, 355, 220, 221, 220, 221, 339, 340,
 &end
#
#   20 LEU  HN           20 LEU  HB-         3.50    (#    558:9   Unique         1.98, 2.62 A)
 &rst
  ixpk= 558, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   22 GLU  HN           22 GLU  HB+         2.80    (#    559:9   Unique         2.08, 2.53 A)
 &rst
  ixpk= 559, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 339, 340,
 &end
#
#   26 LYS  HN           29 ILE  QD1         5.20    (#    560:9   Unique         5.60, 6.50 A)
 &rst
  ixpk= 560, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#   20 LEU  HN           20 LEU  MDY         4.50    (#    561:9   Unique         2.05, 4.50 A)
 &rst
  ixpk= 561, nxpk= 9, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  HN            0 AMB  9-1:562     4.50    (#    562:9   Single Ambig)
 &rst
  ixpk= 562, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 453, 454, 453, 454,
 &end
#
#   29 ILE  HN           29 ILE  QD1         5.20    (#    563:9   Unique         4.28, 4.49 A)
 &rst
  ixpk= 563, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#   26 LYS  HN            0 AMB  9-1:564     5.60    (#    564:9   Single Ambig)
 &rst
  ixpk= 564, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 453, 454, 453, 454,
 &end
#
#   34 TRP  HZ2          32 THR  MG2         4.50    (#    565:9   Unique         2.94, 4.00 A)
 &rst
  ixpk= 565, nxpk= 9, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 508, 509, 510,
 &end
#
#   34 TRP  HE3          32 THR  MG2         4.20    (#    566:9   Unique         3.02, 4.36 A)
 &rst
  ixpk= 566, nxpk= 9, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 508, 509, 510,
 &end
#
#    9 TRP  HD1           7 THR  MG2         5.20    (#    567:9   Unique         2.64, 3.31 A)
 &rst
  ixpk= 567, nxpk= 9, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=  92,  93,  94,
 &end
#
#    9 TRP  HD1           0 AMB  9-1:568     4.50    (#    568:9   Single Ambig)
 &rst
  ixpk= 568, nxpk= 9, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 123, 124, 123, 124,
 &end
#
#    9 TRP  HE3           0 AMB  9-1:569     3.50    (#    569:9   Single Ambig)
 &rst
  ixpk= 569, nxpk= 9, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:570      31 VAL  MGX         4.20    (#    570:9   Single Ambig)
 &rst
  ixpk= 570, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 323, 324, 323, 324,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX           0 AMB  9-1:571     4.20    (#    571:9   Single Ambig)
 &rst
  ixpk= 571, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGX          10 VAL  MGY         2.80    (#    572:9   Unique )
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:573       0 AMB  9-1:573     2.20    (#    573:9   Double Ambig)
 &rst
  ixpk= 573, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 357, 358, 342, 343,  36,  37,  36,  37, 223, 224,
      
 igr2= 354, 355, 339, 340,  33,  34,  33,  34, 220, 221,
       220, 221,
 &end
#
#    4 GLN  HG-           4 GLN  HG+         2.20    (#    574:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:575       0 AMB  9-1:575     2.20    (#    575:9   Double Ambig)
 &rst
  ixpk= 575, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 354, 355, 339, 340,  33,  34,  33,  34, 220, 221,
       220, 221,
 igr2= 357, 358, 342, 343,  36,  37,  36,  37, 223, 224,
      
 &end
#
#    4 GLN  HG+           4 GLN  HG-         2.20    (#    576:9   Unique)
#This appears to be self-referential: ignoring
#
#    0 AMB  9-2:577       0 AMB  9-1:577     5.20    (#    577:9   Double Ambig)
 &rst
  ixpk= 577, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  9-2:578       0 AMB  9-1:578     5.20    (#    578:9   Double Ambig)
 &rst
  ixpk= 578, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 472, 473, 472, 473,  72,  73,  72,  73,
 igr2= 466, 467,  69,  70,  69,  70,
 &end
#
#    7 THR  MG2           7 THR  HN          5.20    (#    581:9   Unique)
 &rst
  ixpk= 581, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  92,  93,  94,
 &end
#
#   31 VAL  MGX          24 ALA  HN          6.00    (#    583:9   Unique         2.85, 4.50 A)
 &rst
  ixpk= 583, nxpk= 9, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:584      23 GLU  HN          5.60    (#    584:9   Single Ambig)
 &rst
  ixpk= 584, nxpk= 9, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 &end
#
#   31 VAL  MGX          33 PHE  HZ          6.00    (#    585:9   Unique         1.96, 4.00 A)
 &rst
  ixpk= 585, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          33 PHE  HE          6.00    (#    587:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 587, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 526, 530,
 &end
#
#    5 VAL  MGY           6 ARG  HN          5.20    (#    588:9   Unique         2.25, 4.20 A)
 &rst
  ixpk= 588, nxpk= 9, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:590       0 AMB  9-1:590     2.20    (#    590:9   Double Ambig)
 &rst
  ixpk= 590, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 260, 261, 260, 261, 407, 408, 407, 408,
 igr2= 257, 258, 404, 405, 279, 280,
 &end
#
#   22 GLU  HG+          22 GLU  HG-         2.20    (#    591:9   Unique )
#This appears to be self-referential: ignoring
#
#    6 ARG  HN            5 VAL  MGY         5.20    (#    592:9   Unique         2.25, 4.20 A)
 &rst
  ixpk= 592, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:593       0 AMB  9-1:593     5.20    (#    593:9   Double Ambig)
 &rst
  ixpk= 593, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 526, 530, 555,
 igr2= 520, 521, 520, 521, 520, 521,
 &end
#
#   15 GLU  HG-          15 GLU  HA          5.20    (#    595:9   Unique         2.28, 3.07 A)
 &rst
  ixpk= 595, nxpk= 9, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 208, 209,
 &end
#
#   29 ILE  HA            5 VAL  MGY         5.20    (#    597:9   Unique         2.68, 4.33 A)
 &rst
  ixpk= 597, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   24 ALA  HA           29 ILE  QD1         5.20    (#    598:9   Unique         2.00, 3.28 A)
 &rst
  ixpk= 598, nxpk= 9, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:599       0 AMB  9-1:599     2.80    (#    599:9   Double Ambig)
 &rst
  ixpk= 599, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  90, 506,
 igr2=  92,  93,  94, 508, 509, 510,
 &end
#
#   20 LEU  HA           31 VAL  MGX         5.20    (#    600:9   Unique         2.92, 4.57 A)
 &rst
  ixpk= 600, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   19 LYS  HA           19 LYS  HG-         5.20    (#    601:9   Unique)
 &rst
  ixpk= 601, nxpk= 9, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 279, 280,
 &end
#
#   15 GLU  HN           14 PRO  HB+         4.20    (#    602:9   Unique)
 &rst
  ixpk= 602, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 194, 195,
 &end
#
#   21 LYS  HN            0 AMB  9-1:603     5.20    (#    603:9   Single Ambig)
 &rst
  ixpk= 603, nxpk= 9, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:604       0 AMB  9-1:604     4.20    (#    604:9   Double Ambig)
 &rst
  ixpk= 604, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 294, 365,
 igr2= 301, 323, 324, 323, 324,
 &end
#
#   33 PHE  HD           10 VAL  HB          5.20    (#    605:9   Unique         4.21, 6.19 A)
 &rst
  ixpk= 605, nxpk= 9, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 524, 532,
 &end
#
#   26 LYS  HN           25 LYS  HG-         5.20    (#    606:9   Unique         2.05, 3.96 A)
 &rst
  ixpk= 606, nxpk= 9, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 382, 383,
 &end
#
#    0 AMB  9-2:607       0 AMB  9-1:607     4.50    (#    607:9   Double Ambig)
 &rst
  ixpk= 607, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 397,  29,
 igr2= 407, 408, 407, 408, 369, 370, 371, 449, 450, 451,
      
 &end
#
#   19 LYS  HN            0 AMB  9-1:608     4.50    (#    608:9   Single Ambig)
 &rst
  ixpk= 608, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 279, 280, 257, 258,
 &end
#
#   19 LYS  HN            0 AMB  9-1:609     5.20    (#    609:9   Single Ambig)
 &rst
  ixpk= 609, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 260, 261, 260, 261, 282, 283, 282, 283,
 &end
#
#   15 GLU  HN           15 GLU  HB+         4.20    (#    610:9   Unique         2.07, 2.80 A)
 &rst
  ixpk= 610, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 205, 206,
 &end
#
#    6 ARG  HN            5 VAL  HB          4.20    (#    611:9   Unique)
 &rst
  ixpk= 611, nxpk= 9, iat=  62,  50, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    6 ARG  HN            0 AMB  9-1:612     4.20    (#    612:9   Single Ambig)
 &rst
  ixpk= 612, nxpk= 9, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=  66,  67,  66,  67,
 &end
#
#   29 ILE  HN           27 ALA  MB          5.20    (#    613:9   Unique         2.65, 3.72 A)
 &rst
  ixpk= 613, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 423, 424, 425,
 &end
#
#   33 PHE  HD            0 AMB  9-1:614     5.20    (#    614:9   Single Ambig)
 &rst
  ixpk= 614, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 524, 532,
 igr2= 301, 323, 324, 323, 324,
 &end
#
#   33 PHE  HE            8 ILE  QD1         4.50    (#    615:9   Unique)
 &rst
  ixpk= 615, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 526, 530,
 igr2= 113, 114, 115,
 &end
#
#   33 PHE  HZ           31 VAL  HB          4.50    (#    616:9   Unique         3.22, 3.68 A)
 &rst
  ixpk= 616, nxpk= 9, iat= 528, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           31 VAL  HB          5.20    (#    617:9   Unique         1.98, 3.90 A)
 &rst
  ixpk= 617, nxpk= 9, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 526, 530,
 &end
#
#   35 GLY  HN           34 TRP  HB+         5.20    (#    618:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 618, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   35 GLY  HN           34 TRP  HB-         5.20    (#    619:9   Unique         3.13, 3.82 A)
 &rst
  ixpk= 619, nxpk= 9, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   20 LEU  HN           17 LEU  HA          5.60    (#    620:9   Unique         3.03, 3.36 A)
 &rst
  ixpk= 620, nxpk= 9, iat= 294, 233, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 LEU  HN           15 GLU  HB-         5.20    (#    621:9   Unique)
 &rst
  ixpk= 621, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 205, 206,
 &end
#
#   34 TRP  HN           34 TRP  HB+         5.20    (#    622:9   Unique         2.23, 2.86 A)
 &rst
  ixpk= 622, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   11 GLY  HN           11 GLY  HA-         4.20    (#    623:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 623, nxpk= 9, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 161, 162,
 &end
#
#   22 GLU  HN           24 ALA  MB          5.20    (#    624:9   Unique)
 &rst
  ixpk= 624, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 369, 370, 371,
 &end
#
#   15 GLU  HN           15 GLU  HG+         4.20    (#    625:9   Unique         1.93, 3.55 A)
 &rst
  ixpk= 625, nxpk= 9, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 208, 209,
 &end
#
#    4 GLN  HN            4 GLN  HG+         5.20    (#    626:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 626, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#    0 AMB  9-2:627      34 TRP  HB-         5.20    (#    627:9   Single Ambig)
 &rst
  ixpk= 627, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 555, 544,
 igr2= 540, 541,
 &end
#
#    6 ARG  HE            0 AMB  9-1:628     4.50    (#    628:9   Single Ambig)
 &rst
  ixpk= 628, nxpk= 9, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  72,  73,  72,  73,
 &end
#
#   34 TRP  HN           32 THR  MG2         6.00    (#    629:9   Unique         4.26, 5.60 A)
 &rst
  ixpk= 629, nxpk= 9, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 508, 509, 510,
 &end
#
#   35 GLY  HA+          35 GLY  HA-         2.20    (#    632:9   Unique)
#This appears to be self-referential: ignoring
#
#   28 ASN  HB+          28 ASN  HA          4.50    (#    633:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 633, nxpk= 9, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 433, 434,
 &end
#
#   28 ASN  HB-          28 ASN  HA          5.20    (#    634:9   Unique         2.42, 2.82 A)
 &rst
  ixpk= 634, nxpk= 9, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 433, 434,
 &end
#
#   34 TRP  HB-          36 ASP  HA          5.20    (#    635:9   Unique         3.45, 4.17 A)
 &rst
  ixpk= 635, nxpk= 9, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 540, 541,
 &end
#
#   27 ALA  MB           27 ALA  HA          4.50    (#    636:9   Unique         2.26, 2.66 A)
 &rst
  ixpk= 636, nxpk= 9, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 423, 424, 425,
 &end
#
#    0 AMB  9-2:637      25 LYS  HA          5.20    (#    637:9   Single Ambig)
 &rst
  ixpk= 637, nxpk= 9, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 379, 380, 379, 380,
 &end
#
#    7 THR  MG2           7 THR  HA          5.20    (#    638:9   Unique         2.52, 3.29 A)
 &rst
  ixpk= 638, nxpk= 9, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  92,  93,  94,
 &end
#
#   17 LEU  HB+          17 LEU  HA          4.20    (#    639:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 639, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 235, 236,
 &end
#
#   17 LEU  HB+          17 LEU  MDX         5.20    (#    640:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 640, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDX          17 LEU  HB+         5.20    (#    641:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 641, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   20 LEU  HG           20 LEU  MDX         3.50    (#    642:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 642, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  HG           10 VAL  MGX         4.20    (#    643:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 643, nxpk= 9, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   20 LEU  MDY          20 LEU  HG          2.20    (#    644:9   Unique         2.22, 2.64 A)
 &rst
  ixpk= 644, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGY           0 AMB  9-1:645     3.50    (#    645:9   Single Ambig)
 &rst
  ixpk= 645, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 323, 324, 323, 324,
 &end
#
#   10 VAL  MGX          20 LEU  HG          3.50    (#    646:9   Unique         2.39, 4.41 A)
 &rst
  ixpk= 646, nxpk= 9, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#    5 VAL  MGY          29 ILE  QG2         3.50    (#    647:9   Unique         3.49, 5.88 A)
 &rst
  ixpk= 647, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 449, 450, 451,
 &end
#
#   29 ILE  QD1          29 ILE  QG2         3.50    (#    648:9   Unique         3.05, 4.41 A)
 &rst
  ixpk= 648, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 456, 457, 458,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  9-2:649       8 ILE  QD1         4.50    (#    649:9   Single Ambig)
 &rst
  ixpk= 649, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 520, 521, 520, 521,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:652       0 AMB  9-1:652     5.20    (#    652:9   Double Ambig)
 &rst
  ixpk= 652, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
 igr1= 223, 224, 357, 358,
 igr2= 303, 304, 305, 307, 308, 309, 453, 454, 453, 454,
      
 &end
#
#    0 AMB  9-2:653      23 GLU  HG-         5.20    (#    653:9   Single Ambig)
 &rst
  ixpk= 653, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 453, 454, 453, 454,
 igr2= 357, 358,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:654     4.20    (#    654:9   Single Ambig)
 &rst
  ixpk= 654, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:655       0 AMB  9-1:655     5.20    (#    655:9   Double Ambig)
 &rst
  ixpk= 655, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 285, 286, 285, 286, 263, 264, 263, 264,
 igr2= 279, 280, 279, 280, 257, 258,
 &end
#
#    0 AMB  9-2:656       0 AMB  9-1:656     5.20    (#    656:9   Double Ambig)
 &rst
  ixpk= 656, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 285, 286, 285, 286, 520, 521,
 igr2= 279, 280, 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:657       0 AMB  9-1:657     5.20    (#    657:9   Double Ambig)
 &rst
  ixpk= 657, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
 igr1= 279, 280, 240, 241, 242, 244, 245, 246,
 igr2= 285, 286, 285, 286, 520, 521,
 &end
#
#    0 AMB  9-2:658       0 AMB  9-1:658     4.20    (#    658:9   Double Ambig)
 &rst
  ixpk= 658, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 279, 280, 279, 280, 257, 258,
 igr2= 285, 286, 285, 286, 263, 264, 263, 264,
 &end
#
#   28 ASN  HB-          29 ILE  HB          6.00    (#    659:9   Unique         5.66, 6.47 A)
 &rst
  ixpk= 659, nxpk= 9, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 433, 434,
 &end
#
#    7 THR  HN            7 THR  MG2         5.20    (#    660:9   Unique)
 &rst
  ixpk= 660, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=  92,  93,  94,
 &end
#
#   23 GLU  HG-          27 ALA  MB          5.20    (#    663:9   Unique         2.05, 5.98 A)
 &rst
  ixpk= 663, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 357, 358,
 igr2= 423, 424, 425,
 &end
#
#   27 ALA  MB           23 GLU  HG-         5.20    (#    664:9   Unique         2.05, 5.98 A)
 &rst
  ixpk= 664, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:665      31 VAL  MGX         5.60    (#    665:9   Single Ambig)
 &rst
  ixpk= 665, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 110, 111, 110, 111,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:666      20 LEU  MDX         5.60    (#    666:9   Single Ambig)
 &rst
  ixpk= 666, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 110, 111, 110, 111,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX           0 AMB  9-1:667     5.60    (#    667:9   Single Ambig)
 &rst
  ixpk= 667, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 110, 111, 110, 111,
 &end
#
#   20 LEU  MDX           0 AMB  9-1:668     5.60    (#    668:9   Single Ambig)
 &rst
  ixpk= 668, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 110, 111, 110, 111,
 &end
#
#   22 GLU  HG-          22 GLU  HG+         2.20    (#    669:9   Unique)
#This appears to be self-referential: ignoring
#
#   17 LEU  HG           17 LEU  MDX         5.20    (#    670:9   Unique)
 &rst
  ixpk= 670, nxpk= 9, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   29 ILE  QD1           0 AMB  9-1:671     2.20    (#    671:9   Single Ambig)
 &rst
  ixpk= 671, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 456, 457, 458,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:672      29 ILE  QD1         2.20    (#    672:9   Single Ambig)
 &rst
  ixpk= 672, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 453, 454, 453, 454,
 igr2= 456, 457, 458,
 &end
#
#    8 ILE  QG2           5 VAL  MGY         6.00    (#    673:9   Unique)
 &rst
  ixpk= 673, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 106, 107, 108,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 VAL  MGY           8 ILE  QG2         6.00    (#    674:9   Unique)
 &rst
  ixpk= 674, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 106, 107, 108,
 &end
#
#   31 VAL  MGY          24 ALA  MB          3.50    (#    675:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 675, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 369, 370, 371,
 &end
#
#   20 LEU  MDY          20 LEU  HB+         3.50    (#    676:9   Unique)
 &rst
  ixpk= 676, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 298, 299,
 &end
#
#   20 LEU  HB+          20 LEU  MDY         3.50    (#    677:9   Unique)
 &rst
  ixpk= 677, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   23 GLU  HG+          23 GLU  HG-         2.20    (#    678:9   Unique)
#This appears to be self-referential: ignoring
#
#   23 GLU  HG-          23 GLU  HG+         2.20    (#    679:9   Unique)
#This appears to be self-referential: ignoring
#
#   29 ILE  QG2           5 VAL  MGY         3.50    (#    680:9   Unique)
 &rst
  ixpk= 680, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 449, 450, 451,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:681       0 AMB  9-1:681     4.20    (#    681:9   Double Ambig)
 &rst
  ixpk= 681, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 220, 221, 220, 221, 379, 380, 379, 380,
 igr2= 298, 299, 298, 299, 382, 383, 382, 383,
 &end
#
#    0 AMB  9-2:682       0 AMB  9-1:682     3.50    (#    682:9   Double Ambig)
 &rst
  ixpk= 682, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 382, 383, 382, 383, 320, 321,
 igr2= 379, 380, 379, 380,
 &end
#
#   17 LEU  HN           17 LEU  HB+         5.20    (#    683:9   Unique         2.15, 2.89 A)
 &rst
  ixpk= 683, nxpk= 9, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 235, 236,
 &end
#
#   31 VAL  HN           30 ARG  HA          2.20    (#    684:9   Unique         2.23, 2.23 A)
 &rst
  ixpk= 684, nxpk= 9, iat= 486, 464, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    0 AMB  9-2:685      22 GLU  HA          4.50    (#    685:9   Single Ambig)
 &rst
  ixpk= 685, nxpk= 9, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 401, 402, 401, 402,
 &end
#
#   32 THR  HB            0 AMB  9-1:686     5.20    (#    686:9   Double Ambig)
 &rst
  ixpk= 686, nxpk= 9, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:687      32 THR  HB          5.20    (#    687:9   Double Ambig)
 &rst
  ixpk= 687, nxpk= 9, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 110, 111, 110, 111,
 &end
#
#   31 VAL  MGX          20 LEU  HA          5.20    (#    688:9   Unique         2.92, 4.57 A)
 &rst
  ixpk= 688, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  HB            5 VAL  HA          4.20    (#    689:9   Unique         2.41, 2.78 A)
 &rst
  ixpk= 689, nxpk= 9, iat=  50,  48, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    8 ILE  QG2           7 THR  HB          5.20    (#    690:9   Unique         5.16, 6.11 A)
 &rst
  ixpk= 690, nxpk= 9, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 106, 107, 108,
 &end
#
#    7 THR  HB            8 ILE  QG2         5.20    (#    691:9   Unique         5.16, 6.11 A)
 &rst
  ixpk= 691, nxpk= 9, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 106, 107, 108,
 &end
#
#   31 VAL  HB            0 AMB  9-1:692     3.50    (#    692:9   Double Ambig)
 &rst
  ixpk= 692, nxpk= 9, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 110, 111, 110, 111,
 &end
#
#    5 VAL  HN            5 VAL  MGX         4.20    (#    693:9   Unique         1.95, 4.00 A)
 &rst
  ixpk= 693, nxpk= 9, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    9 TRP  HN            8 ILE  QD1         4.50    (#    694:9   Unique)
 &rst
  ixpk= 694, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   19 LYS  HN           20 LEU  HG          5.60    (#    695:9   Unique         5.67, 5.99 A)
 &rst
  ixpk= 695, nxpk= 9, iat= 272, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:696       0 AMB  9-1:696     5.20    (#    696:9   Double Ambig)
 &rst
  ixpk= 696, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=  75, 553,
 igr2= 456, 457, 458, 508, 509, 510,
 &end
#
#   33 PHE  HD           31 VAL  MGY         5.20    (#    697:9   Unique         4.13, 6.58 A)
 &rst
  ixpk= 697, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   10 VAL  MGY          33 PHE  HZ          5.20    (#    698:9   Unique)
 &rst
  ixpk= 698, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 149, 150, 151, 153, 154, 155,
 &end
#
#   29 ILE  HN            5 VAL  MGY         5.20    (#    699:9   Unique         4.17, 6.55 A)
 &rst
  ixpk= 699, nxpk= 9, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  HN           20 LEU  HG          5.60    (#    700:9   Unique         3.91, 4.60 A)
 &rst
  ixpk= 700, nxpk= 9, iat= 231, 301, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   27 ALA  HN            0 AMB  9-1:701     5.60    (#    701:9   Double Ambig)
 &rst
  ixpk= 701, nxpk= 9, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 453, 454, 453, 454,
 &end
#
#   30 ARG  HN            0 AMB  9-1:702     5.20    (#    702:9   Single Ambig)
 &rst
  ixpk= 702, nxpk= 9, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:703       0 AMB  9-1:703     5.20    (#    703:9   Double Ambig)
 &rst
  ixpk= 703, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 159, 536,
 igr2= 179, 180, 181, 113, 114, 115,
 &end
#
#   23 GLU  HN            0 AMB  9-1:705     5.60    (#    705:9   Single Ambig)
 &rst
  ixpk= 705, nxpk= 9, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 274, 296,
 &end
#
#   32 THR  HA           32 THR  HB          5.20    (#    706:9   Unique         3.05, 3.06 A)
 &rst
  ixpk= 706, nxpk= 9, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:707      27 ALA  MB          4.20    (#    707:9   Single Ambig)
 &rst
  ixpk= 707, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 367, 399,
 igr2= 423, 424, 425,
 &end
#
#    8 ILE  QG2          10 VAL  MGX         4.50    (#    708:9   Unique         5.11, 6.78 A)
 &rst
  ixpk= 708, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 106, 107, 108,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   10 VAL  MGX           8 ILE  QG2         4.50    (#    709:9   Unique         5.11, 6.78 A)
 &rst
  ixpk= 709, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#   34 TRP  HH2          32 THR  HB          5.20    (#    710:9   Unique         2.70, 2.99 A)
 &rst
  ixpk= 710, nxpk= 9, iat= 551, 506, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   25 LYS  HN           25 LYS  HA          5.20    (#    711:9   Unique         2.80, 2.85 A)
 &rst
  ixpk= 711, nxpk= 9, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    7 THR  HN            7 THR  HB          4.50    (#    713:9   Unique         2.13, 2.24 A)
 &rst
  ixpk= 713, nxpk= 9, iat=  86,  90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HN           20 LEU  HA          5.20    (#    714:9   Unique         3.61, 3.63 A)
 &rst
  ixpk= 714, nxpk= 9, iat= 313, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   20 LEU  HN           20 LEU  HA          5.20    (#    715:9   Unique         2.66, 2.70 A)
 &rst
  ixpk= 715, nxpk= 9, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:716       0 AMB  9-1:716     4.50    (#    716:9   Double Ambig)
 &rst
  ixpk= 716, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 419, 272,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
      
 &end
#
#   25 LYS  HN           23 GLU  HA          5.20    (#    717:9   Unique)
 &rst
  ixpk= 717, nxpk= 9, iat= 375, 352, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 ASN  HN           28 ASN  HB+         5.20    (#    718:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 718, nxpk= 9, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 433, 434,
 &end
#
#   32 THR  HA           33 PHE  HD          5.60    (#    719:9   Unique)
 &rst
  ixpk= 719, nxpk= 9, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#    6 ARG  HG+           7 THR  HN          4.50    (#    720:9   Unique         2.43, 4.46 A)
 &rst
  ixpk= 720, nxpk= 9, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#    0 AMB  9-2:721      19 LYS  HN          5.20    (#    721:9   Single Ambig)
 &rst
  ixpk= 721, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 282, 283, 282, 283,
 &end
#
#   32 THR  HB           34 TRP  HE3         5.60    (#    723:9   Unique         3.39, 3.63 A)
 &rst
  ixpk= 723, nxpk= 9, iat= 506, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:724      19 LYS  HN          4.20    (#    724:9   Single Ambig)
 &rst
  ixpk= 724, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 276, 277, 276, 277,
 &end
#
#    7 THR  HB            8 ILE  HN          5.60    (#    725:9   Unique         4.19, 4.34 A)
 &rst
  ixpk= 725, nxpk= 9, iat=  90, 100, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:726       0 AMB  9-1:726     4.50    (#    726:9   Double Ambig)
 &rst
  ixpk= 726, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255, 276, 277,
      
 igr2= 419, 272,
 &end
#
#   28 ASN  HB-          28 ASN  HD2-        5.20    (#    727:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 727, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 433, 434,
 igr2= 438, 439,
 &end
#
#   28 ASN  HD2+         28 ASN  HB+         5.60    (#    728:9   Unique         2.10, 3.18 A)
 &rst
  ixpk= 728, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 438, 439,
 igr2= 433, 434,
 &end
#
#   33 PHE  HD           17 LEU  MDX         5.20    (#    729:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 729, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 524, 532,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:730       0 AMB  9-1:730     5.20    (#    730:9   Double Ambig)
 &rst
  ixpk= 730, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 555, 544,
 igr2= 540, 541, 540, 541,
 &end
#
#   34 TRP  HZ3          34 TRP  HB+         5.20    (#    731:9   Unique         4.84, 5.58 A)
 &rst
  ixpk= 731, nxpk= 9, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 540, 541,
 &end
#
#   28 ASN  HN           28 ASN  HB-         4.50    (#    732:9   Unique         2.85, 3.44 A)
 &rst
  ixpk= 732, nxpk= 9, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 433, 434,
 &end
#
#   10 VAL  HA           10 VAL  MGX         4.50    (#    733:9   Unique         2.45, 3.45 A)
 &rst
  ixpk= 733, nxpk= 9, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   19 LYS  HN            0 AMB  9-1:734     4.50    (#    734:9   Single Ambig)
 &rst
  ixpk= 734, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 276, 277, 276, 277,
 &end
#
#    0 AMB  9-2:735       0 AMB  9-1:735     4.20    (#    735:9   Double Ambig)
 &rst
  ixpk= 735, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 201, 119,
 igr2= 205, 206, 123, 124, 123, 124,
 &end
#
#    9 TRP  HN            0 AMB  9-1:736     4.20    (#    736:9   Single Ambig)
 &rst
  ixpk= 736, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 110, 111, 110, 111,
 &end
#
#    4 GLN  HN            4 GLN  HG-         5.20    (#    737:9   Unique         1.98, 4.03 A)
 &rst
  ixpk= 737, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#   16 GLU  HN           16 GLU  HG+         3.50    (#    738:9   Unique         1.89, 2.97 A)
 &rst
  ixpk= 738, nxpk= 9, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 223, 224,
 &end
#
#   22 GLU  HN            0 AMB  9-1:739     4.50    (#    739:9   Single Ambig)
 &rst
  ixpk= 739, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 317, 318, 317, 318,
 &end
#
#   22 GLU  HN           22 GLU  HG-         4.20    (#    740:9   Unique)
 &rst
  ixpk= 740, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 342, 343,
 &end
#
#   17 LEU  HA           17 LEU  HB-         5.60    (#    741:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 741, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB-          17 LEU  HA          5.20    (#    742:9   Unique         2.43, 2.81 A)
 &rst
  ixpk= 742, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 235, 236,
 &end
#
#   32 THR  HN            8 ILE  QD1         4.50    (#    743:9   Unique         2.21, 3.82 A)
 &rst
  ixpk= 743, nxpk= 9, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 113, 114, 115,
 &end
#
#   20 LEU  MDY          20 LEU  HA          5.20    (#    744:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 744, nxpk= 9, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#   31 VAL  MGX          20 LEU  HB+         5.20    (#    745:9   Unique         2.62, 5.31 A)
 &rst
  ixpk= 745, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 298, 299,
 &end
#
#   20 LEU  HB+          31 VAL  MGX         5.20    (#    746:9   Unique         2.62, 5.31 A)
 &rst
  ixpk= 746, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 298, 299,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  HA            5 VAL  HB          4.50    (#    747:9   Unique         2.41, 2.78 A)
 &rst
  ixpk= 747, nxpk= 9, iat=  48,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HA            0 AMB  9-1:748     4.50    (#    748:9   Single Ambig)
 &rst
  ixpk= 748, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  9-2:749      21 LYS  HA          5.20    (#    749:9   Single Ambig)
 &rst
  ixpk= 749, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 317, 318, 317, 318,
 &end
#
#   10 VAL  MGY           8 ILE  QG2         6.00    (#    750:9   Unique)
 &rst
  ixpk= 750, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 149, 150, 151, 153, 154, 155,
 igr2= 106, 107, 108,
 &end
#
#   34 TRP  HN           33 PHE  HA          5.20    (#    751:9   Unique         2.19, 2.20 A)
 &rst
  ixpk= 751, nxpk= 9, iat= 536, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   11 GLY  HN           11 GLY  HA+         5.20    (#    752:9   Unique         2.25, 2.55 A)
 &rst
  ixpk= 752, nxpk= 9, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 161, 162,
 &end
#
#    0 AMB  9-2:753       8 ILE  HN          5.60    (#    753:9   Single Ambig)
 &rst
  ixpk= 753, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 119,  86,
 &end
#
#    9 TRP  HN            0 AMB  9-1:754     6.00    (#    754:9   Single Ambig)
 &rst
  ixpk= 754, nxpk= 9, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 159, 536,
 &end
#
#    8 ILE  HN            0 AMB  9-1:755     5.60    (#    755:9   Single Ambig)
 &rst
  ixpk= 755, nxpk= 9, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 119,  86,
 &end
#
#    0 AMB  9-2:756       9 TRP  HN          6.00    (#    756:9   Single Ambig)
 &rst
  ixpk= 756, nxpk= 9, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 159, 536,
 &end
#
#    9 TRP  HD1           9 TRP  HN          5.60    (#    757:9   Unique         3.85, 4.08 A)
 &rst
  ixpk= 757, nxpk= 9, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   34 TRP  HD1          35 GLY  HN          5.60    (#    758:9   Unique         3.56, 3.81 A)
 &rst
  ixpk= 758, nxpk= 9, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 VAL  HN            9 TRP  HN          5.20    (#    759:9   Unique         3.92, 4.00 A)
 &rst
  ixpk= 759, nxpk= 9, iat= 143, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   24 ALA  HN           31 VAL  MGX         6.00    (#    761:9   Unique         2.85, 4.50 A)
 &rst
  ixpk= 761, nxpk= 9, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#   24 ALA  HN           22 GLU  HA          5.20    (#    762:9   Unique         3.71, 3.81 A)
 &rst
  ixpk= 762, nxpk= 9, iat= 365, 337, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HN           28 ASN  HA          5.20    (#    763:9   Unique         3.55, 3.60 A)
 &rst
  ixpk= 763, nxpk= 9, iat= 443, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   29 ILE  HN           29 ILE  HA          5.20    (#    764:9   Unique         2.64, 2.66 A)
 &rst
  ixpk= 764, nxpk= 9, iat= 443, 445, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:765       0 AMB  9-1:765     4.50    (#    765:9   Double Ambig)
 &rst
  ixpk= 765, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 335, 173,
 igr2= 337, 177,
 &end
#
#    6 ARG  HA            0 AMB  9-1:766     5.20    (#    766:9   Single Ambig)
 &rst
  ixpk= 766, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=  66,  67,  66,  67,
 &end
#
#    6 ARG  HA            6 ARG  HG-         5.20    (#    767:9   Unique         2.01, 3.55 A)
 &rst
  ixpk= 767, nxpk= 9, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  69,  70,
 &end
#
#   25 LYS  HA           25 LYS  HG-         5.20    (#    768:9   Unique         2.16, 3.38 A)
 &rst
  ixpk= 768, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 382, 383,
 &end
#
#   25 LYS  HA           25 LYS  HG+         5.60    (#    769:9   Unique         2.16, 3.38 A)
 &rst
  ixpk= 769, nxpk= 9, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 382, 383,
 &end
#
#    0 AMB  9-2:770       0 AMB  9-1:770     2.80    (#    770:9   Double Ambig)
 &rst
  ixpk= 770, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  72,  73,  72,  73, 472, 473, 472, 473,
 igr2=  69,  70, 469, 470, 469, 470,
 &end
#
#   21 LYS  HA            0 AMB  9-1:771     4.20    (#    771:9   Single Ambig)
 &rst
  ixpk= 771, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 320, 321, 320, 321,
 &end
#
#   20 LEU  HG           19 LYS  HN          5.60    (#    773:9   Unique         5.67, 5.99 A)
 &rst
  ixpk= 773, nxpk= 9, iat= 301, 272, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   27 ALA  MB           28 ASN  HN          4.20    (#    774:9   Unique         1.95, 3.16 A)
 &rst
  ixpk= 774, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 423, 424, 425,
 &end
#
#    0 AMB  9-2:775      20 LEU  MDX         4.50    (#    775:9   Single Ambig)
 &rst
  ixpk= 775, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 490, 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    8 ILE  QD1           8 ILE  HB          2.20    (#    777:9   Unique         2.10, 2.82 A)
 &rst
  ixpk= 777, nxpk= 9, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 113, 114, 115,
 &end
#
#   27 ALA  MB           29 ILE  QD1         5.20    (#    778:9   Unique         2.76, 5.47 A)
 &rst
  ixpk= 778, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 423, 424, 425,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  9-2:780      17 LEU  HB-         5.20    (#    780:9   Single Ambig)
 &rst
  ixpk= 780, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 238, 320, 321, 320, 321,
 igr2= 235, 236,
 &end
#
#    0 AMB  9-2:781       0 AMB  9-1:781     4.20    (#    781:9   Double Ambig)
 &rst
  ixpk= 781, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 285, 286, 285, 286, 285, 286,
 igr2= 282, 283, 282, 283, 282, 283,
 &end
#
#    9 TRP  HH2           9 TRP  HZ3         4.20    (#    782:9   Unique         2.44, 2.44 A)
 &rst
  ixpk= 782, nxpk= 9, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    9 TRP  HZ3           9 TRP  HH2         4.20    (#    783:9   Unique         2.44, 2.44 A)
 &rst
  ixpk= 783, nxpk= 9, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    9 TRP  HZ3          34 TRP  HD1         4.20    (#    784:9   Unique)
 &rst
  ixpk= 784, nxpk= 9, iat= 136, 544, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HD1           9 TRP  HZ3         4.20    (#    785:9   Unique)
 &rst
  ixpk= 785, nxpk= 9, iat= 544, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   34 TRP  HZ3          34 TRP  HE3         5.20    (#    786:9   Unique         2.49, 2.49 A)
 &rst
  ixpk= 786, nxpk= 9, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   17 LEU  MDY          33 PHE  HE          5.60    (#    787:9   Unique         2.07, 4.84 A)
 &rst
  ixpk= 787, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 526, 530,
 &end
#
#   13 THR  HB           16 GLU  HN          4.50    (#    789:9   Unique         3.28, 3.78 A)
 &rst
  ixpk= 789, nxpk= 9, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 LYS  HN           21 LYS  HA          4.50    (#    790:9   Unique         2.70, 2.75 A)
 &rst
  ixpk= 790, nxpk= 9, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ASN  HB+          29 ILE  HN          5.20    (#    791:9   Unique         2.37, 3.20 A)
 &rst
  ixpk= 791, nxpk= 9, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 433, 434,
 &end
#
#    0 AMB  9-2:792       0 AMB  9-1:792     5.20    (#    792:9   Double Ambig)
 &rst
  ixpk= 792, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 223, 224, 357, 358,
 igr2= 294, 365,
 &end
#
#   25 LYS  HG-          26 LYS  HN          5.20    (#    793:9   Unique         2.05, 3.96 A)
 &rst
  ixpk= 793, nxpk= 9, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 382, 383,
 &end
#
#   18 LYS  HN           16 GLU  HG+         5.20    (#    794:9   Unique         4.36, 4.87 A)
 &rst
  ixpk= 794, nxpk= 9, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 223, 224,
 &end
#
#   33 PHE  HE           17 LEU  HG          5.20    (#    795:9   Unique         3.20, 5.22 A)
 &rst
  ixpk= 795, nxpk= 9, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 526, 530,
 &end
#
#    9 TRP  HZ3          11 GLY  HA-         5.20    (#    797:9   Unique         3.84, 4.96 A)
 &rst
  ixpk= 797, nxpk= 9, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 161, 162,
 &end
#
#   33 PHE  HD           17 LEU  HA          5.60    (#    798:9   Unique         4.81, 5.87 A)
 &rst
  ixpk= 798, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 524, 532,
 &end
#
#    4 GLN  HA            5 VAL  MGY         5.60    (#    799:9   Unique         3.36, 5.97 A)
 &rst
  ixpk= 799, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   13 THR  HA           13 THR  MG2         5.20    (#    800:9   Unique         2.02, 2.93 A)
 &rst
  ixpk= 800, nxpk= 9, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 179, 180, 181,
 &end
#
#   13 THR  HB           20 LEU  MDX         6.00    (#    801:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 801, nxpk= 9, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:802      20 LEU  MDY         5.60    (#    802:9   Single Ambig)
 &rst
  ixpk= 802, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1=  72,  73,  72,  73,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:803       0 AMB  9-1:803     3.50    (#    803:9   Double Ambig)
 &rst
  ixpk= 803, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 407, 408, 407, 408, 260, 261, 260, 261, 407, 408,
      
 igr2= 399, 252, 352, 203,
 &end
#
#   24 ALA  MB           24 ALA  HA          4.20    (#    804:9   Unique         2.24, 2.66 A)
 &rst
  ixpk= 804, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 369, 370, 371,
 &end
#
#    0 AMB  9-2:805       0 AMB  9-1:805     2.20    (#    805:9   Double Ambig)
 &rst
  ixpk= 805, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255, 401, 402,
      
 igr2= 352, 252, 399,
 &end
#
#    0 AMB  9-2:806       0 AMB  9-1:806     3.50    (#    806:9   Double Ambig)
 &rst
  ixpk= 806, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=  69,  70, 469, 470, 469, 470,
 igr2=  72,  73,  72,  73, 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:808       0 AMB  9-1:808     4.20    (#    808:9   Double Ambig)
 &rst
  ixpk= 808, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 282, 283, 282, 283, 282, 283,
 igr2= 285, 286, 285, 286, 285, 286,
 &end
#
#   29 ILE  QD1          24 ALA  HA          4.50    (#    809:9   Unique         2.00, 3.28 A)
 &rst
  ixpk= 809, nxpk= 9, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 456, 457, 458,
 &end
#
#   27 ALA  HA           28 ASN  HN          4.20    (#    810:9   Unique         2.21, 3.51 A)
 &rst
  ixpk= 810, nxpk= 9, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   35 GLY  HA+          35 GLY  HN          4.50    (#    811:9   Unique         2.25, 2.59 A)
 &rst
  ixpk= 811, nxpk= 9, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 562, 563,
 &end
#
#   31 VAL  MGY          32 THR  HN          5.20    (#    813:9   Unique         4.11, 5.05 A)
 &rst
  ixpk= 813, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   31 VAL  MGX          20 LEU  MDX         3.50    (#    814:9   Unique         1.98, 4.64 A)
 &rst
  ixpk= 814, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 492, 493, 494, 496, 497, 498,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDX          31 VAL  MGX         3.50    (#    815:9   Unique         1.98, 4.64 A)
 &rst
  ixpk= 815, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    5 VAL  MGX           0 AMB  9-1:816     5.20    (#    816:9   Single Ambig)
 &rst
  ixpk= 816, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2= 472, 473, 472, 473,
 &end
#
#   30 ARG  HE            0 AMB  9-1:819     5.60    (#    819:9   Single Ambig)
 &rst
  ixpk= 819, nxpk= 9, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 472, 473, 472, 473,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:820     5.60    (#    820:9   Single Ambig)
 &rst
  ixpk= 820, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  9-2:821      20 LEU  MDY         4.20    (#    821:9   Single Ambig)
 &rst
  ixpk= 821, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 490, 298, 299,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   20 LEU  MDY           0 AMB  9-1:822     4.20    (#    822:9   Single Ambig)
 &rst
  ixpk= 822, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 303, 304, 305, 307, 308, 309,
 igr2= 490, 298, 299,
 &end
#
#    0 AMB  9-2:823       0 AMB  9-1:823     2.80    (#    823:9   Double Ambig)
 &rst
  ixpk= 823, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 257, 258, 404, 405, 279, 280,
 igr2= 254, 255, 254, 255, 401, 402, 401, 402, 254, 255,
      
 &end
#
#   15 GLU  HG-          15 GLU  HB-         3.50    (#    824:9   Unique         2.64, 5.56 A)
 &rst
  ixpk= 824, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 208, 209,
 igr2= 205, 206,
 &end
#
#   15 GLU  HB-          15 GLU  HG-         3.50    (#    825:9   Unique         2.64, 5.56 A)
 &rst
  ixpk= 825, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 205, 206,
 igr2= 208, 209,
 &end
#
#   21 LYS  HA           22 GLU  HB+         5.60    (#    826:9   Unique         5.53, 5.84 A)
 &rst
  ixpk= 826, nxpk= 9, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 339, 340,
 &end
#
#   22 GLU  HB+          21 LYS  HA          5.60    (#    827:9   Unique         5.53, 5.84 A)
 &rst
  ixpk= 827, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 339, 340,
 &end
#
#   23 GLU  HG-          23 GLU  HA          4.20    (#    828:9   Unique)
 &rst
  ixpk= 828, nxpk= 9, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 357, 358,
 &end
#
#    0 AMB  9-2:829       0 AMB  9-1:829     4.50    (#    829:9   Double Ambig)
 &rst
  ixpk= 829, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 357, 358, 208, 209, 342, 343,
 igr2= 352, 203,
 &end
#
#   17 LEU  HB+          33 PHE  HZ          5.60    (#    832:9   Unique         4.63, 5.83 A)
 &rst
  ixpk= 832, nxpk= 9, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 235, 236,
 &end
#
#    0 AMB  9-2:834       0 AMB  9-1:834     5.20    (#    834:9   Double Ambig)
 &rst
  ixpk= 834, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 337, 177,
 igr2= 323, 324, 323, 324, 301,
 &end
#
#    0 AMB  9-2:835       0 AMB  9-1:835     5.20    (#    835:9   Double Ambig)
 &rst
  ixpk= 835, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 323, 324, 323, 324, 301,
 igr2= 337, 177,
 &end
#
#    5 VAL  MGY          29 ILE  HA          5.20    (#    836:9   Unique         2.68, 4.33 A)
 &rst
  ixpk= 836, nxpk= 9, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  HA           17 LEU  MDY         5.60    (#    837:9   Unique         1.99, 3.74 A)
 &rst
  ixpk= 837, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   17 LEU  MDY          17 LEU  HA          5.60    (#    838:9   Unique         1.99, 3.74 A)
 &rst
  ixpk= 838, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 240, 241, 242, 244, 245, 246,
 &end
#
#    0 AMB  9-2:841       0 AMB  9-1:841     5.20    (#    841:9   Double Ambig)
 &rst
  ixpk= 841, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1= 354, 355, 407, 408,
 igr2= 357, 358, 357, 358,
 &end
#
#    0 AMB  9-2:842       0 AMB  9-1:842     5.60    (#    842:9   Double Ambig)
 &rst
  ixpk= 842, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 357, 358, 357, 358,
 igr2= 354, 355, 407, 408,
 &end
#
#   19 LYS  HG-          19 LYS  HA          4.50    (#    843:9   Unique)
 &rst
  ixpk= 843, nxpk= 9, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 279, 280,
 &end
#
#    0 AMB  9-2:844       0 AMB  9-1:844     4.20    (#    844:9   Double Ambig)
 &rst
  ixpk= 844, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  92,  93,  94, 508, 509, 510,
 igr2=  90, 506,
 &end
#
#   29 ILE  HB            6 ARG  HG-         4.50    (#    845:9   Unique)
 &rst
  ixpk= 845, nxpk= 9, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  69,  70,
 &end
#
#    6 ARG  HG-          29 ILE  HB          4.50    (#    846:9   Unique)
 &rst
  ixpk= 846, nxpk= 9, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  69,  70,
 &end
#
#   17 LEU  MDY          17 LEU  HB-         5.60    (#    847:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 847, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 235, 236,
 &end
#
#   17 LEU  HB-          17 LEU  MDY         4.20    (#    848:9   Unique         2.03, 3.31 A)
 &rst
  ixpk= 848, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 235, 236,
 igr2= 240, 241, 242, 244, 245, 246,
 &end
#
#   27 ALA  MB            4 GLN  HG-         5.20    (#    849:9   Unique         3.09, 5.10 A)
 &rst
  ixpk= 849, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2=  36,  37,
 &end
#
#    4 GLN  HG-          27 ALA  MB          5.20    (#    850:9   Unique         3.09, 5.10 A)
 &rst
  ixpk= 850, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  36,  37,
 igr2= 423, 424, 425,
 &end
#
#   32 THR  MG2           0 AMB  9-1:851     5.60    (#    851:9   Double Ambig)
 &rst
  ixpk= 851, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 508, 509, 510,
 igr2= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:852      17 LEU  HA          5.20    (#    852:9   Single Ambig)
 &rst
  ixpk= 852, nxpk= 9, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 301, 323, 324, 323, 324,
 &end
#
#   32 THR  MG2           0 AMB  9-1:853     5.20    (#    853:9   Single Ambig)
 &rst
  ixpk= 853, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 508, 509, 510,
 igr2= 520, 521, 520, 521,
 &end
#
#   29 ILE  HN           27 ALA  HN          5.20    (#    854:9   Unique         4.26, 4.39 A)
 &rst
  ixpk= 854, nxpk= 9, iat= 443, 419, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   34 TRP  HB-           0 AMB  9-1:855     5.60    (#    855:9   Single Ambig)
 &rst
  ixpk= 855, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1= 540, 541,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:856       0 AMB  9-1:856     5.60    (#    856:9   Double Ambig)
 &rst
  ixpk= 856, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.06, r4=12.56,
 igr1=  72,  73,  72,  73,  72,  73, 472, 473, 472, 473,
      
 igr2=  66,  67,  66,  67,  66,  67, 466, 467, 466, 467,
      
 &end
#
#    0 AMB  9-2:857       0 AMB  9-1:857     5.20    (#    857:9   Double Ambig)
 &rst
  ixpk= 857, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 252, 399, 218,
 igr2= 257, 258, 404, 405, 257, 258,
 &end
#
#    0 AMB  9-2:858       0 AMB  9-1:858     5.60    (#    858:9   Double Ambig)
 &rst
  ixpk= 858, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=  31, 175,
 igr2=  36,  37, 208, 209, 223, 224,
 &end
#
#   23 GLU  HA           23 GLU  HG+         5.20    (#    859:9   Unique         2.01, 2.98 A)
 &rst
  ixpk= 859, nxpk= 9, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 357, 358,
 &end
#
#    0 AMB  9-2:860       0 AMB  9-1:860     5.20    (#    860:9   Double Ambig)
 &rst
  ixpk= 860, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 220, 221, 220, 221, 339, 340,
 igr2= 177, 337,
 &end
#
#    0 AMB  9-2:861      21 LYS  HA          5.20    (#    861:9   Single Ambig)
 &rst
  ixpk= 861, nxpk= 9, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 320, 321, 320, 321,
 &end
#
#   27 ALA  MB            0 AMB  9-1:862     5.20    (#    862:9   Single Ambig)
 &rst
  ixpk= 862, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 423, 424, 425,
 igr2= 367, 399,
 &end
#
#    8 ILE  QD1          10 VAL  MGX         4.20    (#    863:9   Unique)
 &rst
  ixpk= 863, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 113, 114, 115,
 igr2= 149, 150, 151, 153, 154, 155,
 &end
#
#   22 GLU  HA           22 GLU  HG+         5.20    (#    864:9   Unique         2.18, 2.97 A)
 &rst
  ixpk= 864, nxpk= 9, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 342, 343,
 &end
#
#    0 AMB  9-2:865       0 AMB  9-1:865     3.50    (#    865:9   Double Ambig)
 &rst
  ixpk= 865, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 177, 337,
 igr2= 220, 221, 220, 221, 339, 340,
 &end
#
#   31 VAL  HN           29 ILE  QD1         5.60    (#    867:9   Unique         3.90, 5.29 A)
 &rst
  ixpk= 867, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 456, 457, 458,
 &end
#
#   26 LYS  HN           22 GLU  HA          5.60    (#    869:9   Unique         3.27, 3.66 A)
 &rst
  ixpk= 869, nxpk= 9, iat= 397, 337, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:870       0 AMB  9-1:870     5.20    (#    870:9   Double Ambig)
 &rst
  ixpk= 870, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 294, 365,
 igr2= 218, 352,
 &end
#
#   29 ILE  HN           24 ALA  HA          5.20    (#    871:9   Unique         3.89, 4.30 A)
 &rst
  ixpk= 871, nxpk= 9, iat= 443, 367, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:872       0 AMB  9-1:872     4.50    (#    872:9   Double Ambig)
 &rst
  ixpk= 872, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 173, 166,
 igr2= 168, 169, 168, 169,
 &end
#
#   16 GLU  HN           13 THR  HB          5.20    (#    873:9   Unique         3.28, 3.78 A)
 &rst
  ixpk= 873, nxpk= 9, iat= 216, 177, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  9-2:874       2 SER  HN          5.60    (#    874:9   Single Ambig)
 &rst
  ixpk= 874, nxpk= 9, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  15,  16,  15,  16,
 &end
#
#   10 VAL  HB            0 AMB  9-1:877     5.20    (#    877:9   Single Ambig)
 &rst
  ixpk= 877, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 159, 536,
 &end
#
#    5 VAL  HB           30 ARG  HN          5.60    (#    878:9   Unique         3.92, 4.71 A)
 &rst
  ixpk= 878, nxpk= 9, iat=  50, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   17 LEU  HA           33 PHE  HD          5.60    (#    881:9   Unique         4.81, 5.87 A)
 &rst
  ixpk= 881, nxpk= 9, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 524, 532,
 &end
#
#   17 LEU  MDX          33 PHE  HD          5.60    (#    882:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 882, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 524, 532,
 &end
#
#    8 ILE  QG2           0 AMB  9-1:885     5.60    (#    885:9   Single Ambig)
 &rst
  ixpk= 885, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 106, 107, 108,
 igr2=  86, 119,
 &end
#
#   17 LEU  MDY          33 PHE  HD          5.60    (#    887:9   Unique         2.35, 4.68 A)
 &rst
  ixpk= 887, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 240, 241, 242, 244, 245, 246,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:888       8 ILE  HN          5.60    (#    888:9   Single Ambig)
 &rst
  ixpk= 888, nxpk= 9, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 110, 111, 110, 111,
 &end
#
#    5 VAL  MGY           4 GLN  HN          5.60    (#    889:9   Unique         2.36, 5.43 A)
 &rst
  ixpk= 889, nxpk= 9, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  9-2:890      33 PHE  HD          5.60    (#    890:9   Single Ambig)
 &rst
  ixpk= 890, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 238, 298, 299,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:891      25 LYS  HN          5.20    (#    891:9   Single Ambig)
 &rst
  ixpk= 891, nxpk= 9, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 401, 402, 401, 402,
 &end
#
#   10 VAL  HB           33 PHE  HD          4.50    (#    894:9   Unique         4.21, 6.19 A)
 &rst
  ixpk= 894, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 524, 532,
 &end
#
#    0 AMB  9-2:895       6 ARG  HE          5.60    (#    895:9   Single Ambig)
 &rst
  ixpk= 895, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  66,  67,  66,  67,
 &end
#
#    6 ARG  HG+           6 ARG  HE          5.60    (#    896:9   Unique         2.07, 2.97 A)
 &rst
  ixpk= 896, nxpk= 9, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  69,  70,
 &end
#
#    8 ILE  QD1          32 THR  HN          4.50    (#    898:9   Unique)
 &rst
  ixpk= 898, nxpk= 9, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 113, 114, 115,
 &end
#
#   24 ALA  MB           22 GLU  HN          5.20    (#    899:9   Unique)
 &rst
  ixpk= 899, nxpk= 9, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 369, 370, 371,
 &end
#
#   30 ARG  HG-          30 ARG  HN          5.20    (#    900:9   Unique         1.87, 2.91 A)
 &rst
  ixpk= 900, nxpk= 9, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 469, 470,
 &end
#
#   10 VAL  HN           34 TRP  HE3         5.60    (#    901:9   Unique         2.61, 2.82 A)
 &rst
  ixpk= 901, nxpk= 9, iat= 143, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   33 PHE  HE           33 PHE  HN          5.60    (#    902:9   Unique         4.57, 5.03 A)
 &rst
  ixpk= 902, nxpk= 9, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 526, 530,
 &end
#
#   34 TRP  HZ3           9 TRP  HD1         5.60    (#    903:9   Unique         2.59, 2.84 A)
 &rst
  ixpk= 903, nxpk= 9, iat= 553, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1          34 TRP  HZ3         5.60    (#    904:9   Unique         2.59, 2.84 A)
 &rst
  ixpk= 904, nxpk= 9, iat= 127, 553, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   19 LYS  HN           19 LYS  HG-         5.20    (#    905:9   Unique         1.90, 2.54 A)
 &rst
  ixpk= 905, nxpk= 9, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 279, 280,
 &end
#
#   10 VAL  HN           34 TRP  HB-         5.60    (#    906:9   Unique         3.34, 4.52 A)
 &rst
  ixpk= 906, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 540, 541,
 &end
#
#    8 ILE  HN            8 ILE  HB          4.50    (#    907:9   Unique         3.76, 3.85 A)
 &rst
  ixpk= 907, nxpk= 9, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PHE  HE           31 VAL  MGX         6.00    (#    908:9   Unique         1.95, 4.91 A)
 &rst
  ixpk= 908, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 526, 530,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    7 THR  HN            0 AMB  9-1:909     5.60    (#    909:9   Single Ambig)
 &rst
  ixpk= 909, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  66,  67,  66,  67,
 &end
#
#    4 GLN  HN            5 VAL  MGY         5.60    (#    910:9   Unique         2.36, 5.43 A)
 &rst
  ixpk= 910, nxpk= 9, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   10 VAL  HN            8 ILE  QD1         5.20    (#    911:9   Unique         2.30, 3.44 A)
 &rst
  ixpk= 911, nxpk= 9, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 113, 114, 115,
 &end
#
#    0 AMB  9-2:912       0 AMB  9-1:912     5.60    (#    912:9   Double Ambig)
 &rst
  ixpk= 912, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 159, 536,
 igr2= 123, 124, 123, 124, 123, 124,
 &end
#
#    0 AMB  9-2:913       0 AMB  9-1:913     2.80    (#    913:9   Double Ambig)
 &rst
  ixpk= 913, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 401, 402, 401, 402, 254, 255, 254, 255,
 igr2= 342, 343, 208, 209, 208, 209,
 &end
#
#    0 AMB  9-2:914       0 AMB  9-1:914     2.80    (#    914:9   Double Ambig)
 &rst
  ixpk= 914, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 342, 343, 208, 209, 208, 209,
 igr2= 401, 402, 401, 402, 254, 255, 254, 255,
 &end
#
#   32 THR  HB           34 TRP  HN          5.60    (#    915:9   Unique         5.24, 5.49 A)
 &rst
  ixpk= 915, nxpk= 9, iat= 506, 536, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:916       0 AMB  9-1:916     5.20    (#    916:9   Double Ambig)
 &rst
  ixpk= 916, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
 igr1=  36,  37, 342, 343, 208, 209, 208, 209,
 igr2= 449, 450, 451, 407, 408, 407, 408, 260, 261, 260,
       261,
 &end
#
#    7 THR  HN            0 AMB  9-1:917     5.60    (#    917:9   Single Ambig)
 &rst
  ixpk= 917, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 472, 473, 472, 473,
 &end
#
#    0 AMB  9-2:922      31 VAL  HN          5.60    (#    922:9   Single Ambig)
 &rst
  ixpk= 922, nxpk= 9, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 462, 100,
 &end
#
#   31 VAL  HN            0 AMB  9-1:923     5.60    (#    923:9   Single Ambig)
 &rst
  ixpk= 923, nxpk= 9, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 462, 100,
 &end
#
#   32 THR  HN           31 VAL  HN          5.60    (#    924:9   Unique         4.34, 4.40 A)
 &rst
  ixpk= 924, nxpk= 9, iat= 502, 486, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   20 LEU  MDY          13 THR  HB          5.60    (#    928:9   Unique         4.77, 6.46 A)
 &rst
  ixpk= 928, nxpk= 9, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 303, 304, 305, 307, 308, 309,
 &end
#
#    0 AMB  9-2:930      28 ASN  HN          5.60    (#    930:9   Single Ambig)
 &rst
  ixpk= 930, nxpk= 9, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 401, 402, 401, 402,
 &end
#
#    0 AMB  9-2:931      19 LYS  HN          5.60    (#    931:9   Single Ambig)
 &rst
  ixpk= 931, nxpk= 9, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 260, 261, 260, 261,
 &end
#
#    4 GLN  HA            4 GLN  HG-         5.20    (#    938:9   Unique         2.36, 3.43 A)
 &rst
  ixpk= 938, nxpk= 9, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  36,  37,
 &end
#
#    0 AMB  9-2:939       0 AMB  9-1:939     5.20    (#    939:9   Double Ambig)
 &rst
  ixpk= 939, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=  64, 102,
 igr2=  72,  73,  72,  73,  72,  73,
 &end
#
#    7 THR  HA           29 ILE  HB          6.00    (#    940:9   Unique)
 &rst
  ixpk= 940, nxpk= 9, iat=  88, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:942       0 AMB  9-1:942     5.60    (#    942:9   Double Ambig)
 &rst
  ixpk= 942, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 540, 541, 540, 541,
 igr2= 123, 124, 123, 124,
 &end
#
#   20 LEU  HA           20 LEU  MDY         5.20    (#    943:9   Unique         1.98, 3.06 A)
 &rst
  ixpk= 943, nxpk= 9, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   29 ILE  HA            0 AMB  9-1:945     5.20    (#    945:9   Single Ambig)
 &rst
  ixpk= 945, nxpk= 9, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 453, 454, 453, 454,
 &end
#
#    0 AMB  9-2:947       0 AMB  9-1:947     3.50    (#    947:9   Double Ambig)
 &rst
  ixpk= 947, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 466, 467, 254, 255, 254, 255, 401, 402, 401, 402,
       276, 277,
 igr2= 469, 470, 257, 258, 257, 258, 404, 405, 404, 405,
       257, 258,
 &end
#
#    7 THR  HN            6 ARG  HG+         5.20    (#    948:9   Unique         2.43, 4.46 A)
 &rst
  ixpk= 948, nxpk= 9, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  69,  70,
 &end
#
#   34 TRP  HN           32 THR  HB          5.60    (#    949:9   Unique         5.24, 5.49 A)
 &rst
  ixpk= 949, nxpk= 9, iat= 536, 506, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    0 AMB  9-2:950       0 AMB  9-1:950     5.60    (#    950:9   Double Ambig)
 &rst
  ixpk= 950, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 365, 294,
 igr2= 342, 343, 317, 318, 317, 318, 317, 318,
 &end
#
#   34 TRP  HE3           0 AMB  9-1:951     5.20    (#    951:9   Single Ambig)
 &rst
  ixpk= 951, nxpk= 9, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 123, 124, 123, 124,
 &end
#
#    8 ILE  HN            7 THR  HB          5.20    (#    952:9   Unique         4.19, 4.34 A)
 &rst
  ixpk= 952, nxpk= 9, iat= 100,  90, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   22 GLU  HN            0 AMB  9-1:953     5.20    (#    953:9   Double Ambig)
 &rst
  ixpk= 953, nxpk= 9, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  9-2:958       8 ILE  QG2         4.20    (#    958:9   Single Ambig)
 &rst
  ixpk= 958, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 110, 111, 110, 111,
 igr2= 106, 107, 108,
 &end
#
#   25 LYS  HG-           0 AMB  9-1:960     5.20    (#    960:9   Single Ambig)
 &rst
  ixpk= 960, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 382, 383,
 igr2= 388, 389, 388, 389,
 &end
#
#    8 ILE  QG2           0 AMB  9-1:961     4.20    (#    961:9   Single Ambig)
 &rst
  ixpk= 961, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 106, 107, 108,
 igr2= 110, 111, 110, 111,
 &end
#
#    0 AMB  9-2:963       0 AMB  9-1:963     4.50    (#    963:9   Double Ambig)
 &rst
  ixpk= 963, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 303, 304, 305, 307, 308, 309, 453, 454,
 igr2= 220, 221, 220, 221, 354, 355,
 &end
#
#   30 ARG  HA           30 ARG  HG+         5.60    (#    965:9   Unique)
 &rst
  ixpk= 965, nxpk= 9, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 469, 470,
 &end
#
#    0 AMB  9-2:967       0 AMB  9-1:967     2.80    (#    967:9   Double Ambig)
 &rst
  ixpk= 967, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 254, 255, 254, 255, 401, 402, 401, 402, 276, 277,
       276, 277, 276, 277,
 igr2= 257, 258, 404, 405, 279, 280, 279, 280,
 &end
#
#   10 VAL  HB           20 LEU  MDX         5.20    (#    971:9   Unique         4.78, 6.61 A)
 &rst
  ixpk= 971, nxpk= 9, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#   24 ALA  MB           31 VAL  MGX         6.00    (#    972:9   Unique         1.97, 3.90 A)
 &rst
  ixpk= 972, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 369, 370, 371,
 igr2= 492, 493, 494, 496, 497, 498,
 &end
#
#    0 AMB  9-2:973      20 LEU  MDY         5.20    (#    973:9   Single Ambig)
 &rst
  ixpk= 973, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
 igr1= 220, 221, 220, 221,
 igr2= 303, 304, 305, 307, 308, 309,
 &end
#
#    7 THR  HN            7 THR  HA          5.60    (#    974:9   Unique         2.91, 2.93 A)
 &rst
  ixpk= 974, nxpk= 9, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   30 ARG  HN           29 ILE  HN          5.60    (#    976:9   Unique         4.64, 4.66 A)
 &rst
  ixpk= 976, nxpk= 9, iat= 462, 443, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   29 ILE  HN           30 ARG  HN          5.60    (#    977:9   Unique         4.64, 4.66 A)
 &rst
  ixpk= 977, nxpk= 9, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   22 GLU  HA           25 LYS  HN          5.60    (#    979:9   Unique         3.23, 3.63 A)
 &rst
  ixpk= 979, nxpk= 9, iat= 337, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   10 VAL  HA           34 TRP  HE3         5.60    (#    980:9   Unique         5.19, 5.38 A)
 &rst
  ixpk= 980, nxpk= 9, iat= 145, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   31 VAL  MGX          21 LYS  HN          6.00    (#    982:9   Unique         3.10, 5.52 A)
 &rst
  ixpk= 982, nxpk= 9, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 492, 493, 494, 496, 497, 498,
 &end
#
#   17 LEU  MDY          17 LEU  HN          5.60    (#    983:9   Unique         2.51, 4.41 A)
 &rst
  ixpk= 983, nxpk= 9, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr1= 240, 241, 242, 244, 245, 246,
 &end
#
#    7 THR  HB            9 TRP  HD1         5.60    (#    984:9   Unique         4.96, 5.26 A)
 &rst
  ixpk= 984, nxpk= 9, iat=  90, 127, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#    9 TRP  HD1           9 TRP  HA          5.20    (#    985:9   Unique         3.33, 3.48 A)
 &rst
  ixpk= 985, nxpk= 9, iat= 127, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   8.250  -4.581  -8.001
    2    H2   GLY   1           H2       GLY   1   9.077  -5.146  -9.300
    3    H3   GLY   1           H3       GLY   1   9.738  -3.990  -8.342
    4    HA2  GLY   1           HA2      GLY   1   9.154  -6.754  -7.524
    5    HA3  GLY   1           HA3      GLY   1  10.759  -6.114  -7.905
    6    H    SER   2           H        SER   2   8.519  -6.678  -5.403
    7    HA   SER   2           HA       SER   2   9.014  -4.588  -3.580
    8    HB2  SER   2           HB2      SER   2   8.480  -7.520  -2.958
    9    HB3  SER   2           HB3      SER   2   8.099  -6.118  -1.943
   10    HG   SER   2           HG       SER   2   6.272  -6.885  -3.102
   11    H    GLY   3           H        GLY   3  10.355  -4.551  -1.660
   12    HA2  GLY   3           HA2      GLY   3  12.376  -6.399  -0.996
   13    HA3  GLY   3           HA3      GLY   3  13.080  -5.135  -2.025
   14    H    GLN   4           H        GLN   4  14.164  -5.033   0.346
   15    HA   GLN   4           HA       GLN   4  12.734  -3.601   2.379
   16    HB2  GLN   4           HB2      GLN   4  14.797  -4.885   2.793
   17    HB3  GLN   4           HB3      GLN   4  15.729  -3.753   1.808
   18    HG2  GLN   4           HG2      GLN   4  15.267  -1.936   3.426
   19    HG3  GLN   4           HG3      GLN   4  14.202  -2.991   4.343
   20   HE21  GLN   4          HE21      GLN   4  15.190  -3.827   6.179
   21   HE22  GLN   4          HE22      GLN   4  16.889  -4.190   6.323
   22    H    VAL   5           H        VAL   5  15.081  -2.469  -0.157
   23    HA   VAL   5           HA       VAL   5  14.796   0.252   0.575
   24    HB   VAL   5           HB       VAL   5  15.710  -0.722  -2.145
   25   HG11  VAL   5          HG11      VAL   5  17.103   1.326  -2.069
   26   HG12  VAL   5          HG12      VAL   5  15.392   1.730  -1.936
   27   HG13  VAL   5          HG13      VAL   5  16.418   1.749  -0.486
   28   HG21  VAL   5          HG21      VAL   5  17.017  -1.976  -0.478
   29   HG22  VAL   5          HG22      VAL   5  18.019  -0.700  -1.163
   30   HG23  VAL   5          HG23      VAL   5  17.309  -0.487   0.451
   31    H    ARG   6           H        ARG   6  13.597   1.892  -0.158
   32    HA   ARG   6           HA       ARG   6  11.518   1.719  -2.138
   33    HB2  ARG   6           HB2      ARG   6   9.660   1.973  -0.505
   34    HB3  ARG   6           HB3      ARG   6  10.458   0.417  -0.377
   35    HG2  ARG   6           HG2      ARG   6  11.806   1.442   1.613
   36    HG3  ARG   6           HG3      ARG   6  10.672   2.793   1.525
   37    HD2  ARG   6           HD2      ARG   6   9.934   1.211   3.212
   38    HD3  ARG   6           HD3      ARG   6   8.791   1.181   1.853
   39    HE   ARG   6           HE       ARG   6  10.956  -0.790   1.690
   40   HH11  ARG   6          HH22      ARG   6   7.792  -0.255   3.199
   41   HH12  ARG   6          HH21      ARG   6   7.322  -1.913   3.149
   42   HH21  ARG   6          HH11      ARG   6  10.240  -2.971   1.403
   43   HH22  ARG   6          HH12      ARG   6   8.795  -3.503   2.187
   44    H    THR   7           H        THR   7  10.139   3.879  -1.692
   45    HA   THR   7           HA       THR   7  11.872   6.090  -0.741
   46    HB   THR   7           HB       THR   7  10.537   6.074  -3.473
   47    HG1  THR   7           HG1      THR   7  12.340   5.415  -4.395
   48   HG21  THR   7          HG21      THR   7  11.118   8.311  -2.670
   49   HG22  THR   7          HG22      THR   7  12.770   7.776  -2.266
   50   HG23  THR   7          HG23      THR   7  12.234   7.857  -3.957
   51    H    ILE   8           H        ILE   8  10.681   8.001  -0.440
   52    HA   ILE   8           HA       ILE   8   7.800   7.534   0.194
   53    HB   ILE   8           HB       ILE   8   8.057   8.503   2.307
   54   HG12  ILE   8          HG12      ILE   8  10.760   9.623   1.550
   55   HG13  ILE   8          HG13      ILE   8   9.244  10.528   1.617
   56   HG21  ILE   8          HG21      ILE   8   9.280   6.251   2.046
   57   HG22  ILE   8          HG22      ILE   8  10.792   7.199   2.037
   58   HG23  ILE   8          HG23      ILE   8   9.728   7.219   3.448
   59   HD11  ILE   8          HD11      ILE   8   8.954   9.895   3.969
   60   HD12  ILE   8          HD12      ILE   8  10.604   9.250   3.999
   61   HD13  ILE   8          HD13      ILE   8  10.336  10.976   3.687
   62    H    TRP   9           H        TRP   9   6.551   9.665   0.428
   63    HA   TRP   9           HA       TRP   9   7.730  11.976  -0.917
   64    HB2  TRP   9           HB2      TRP   9   6.321  10.218  -2.499
   65    HB3  TRP   9           HB3      TRP   9   5.057  11.328  -2.057
   66    HD1  TRP   9           HD1      TRP   9   7.760  10.777  -4.430
   67    HE1  TRP   9           HE1      TRP   9   8.231  12.790  -5.916
   68    HE3  TRP   9           HE3      TRP   9   5.235  14.372  -1.763
   69    HZ2  TRP   9           HZ2      TRP   9   7.604  15.616  -5.956
   70    HZ3  TRP   9           HZ3      TRP   9   5.261  16.720  -2.516
   71    HH2  TRP   9           HH2      TRP   9   6.418  17.356  -4.623
   72    H    VAL  10           H        VAL  10   7.314  11.737   1.753
   73    HA   VAL  10           HA       VAL  10   4.608  12.568   2.479
   74    HB   VAL  10           HB       VAL  10   5.431  12.629   4.749
   75   HG11  VAL  10          HG11      VAL  10   4.763  10.460   3.660
   76   HG12  VAL  10          HG12      VAL  10   6.487  10.110   3.400
   77   HG13  VAL  10          HG13      VAL  10   5.844  10.293   5.044
   78   HG21  VAL  10          HG21      VAL  10   8.195  12.117   3.597
   79   HG22  VAL  10          HG22      VAL  10   7.662  13.480   4.588
   80   HG23  VAL  10          HG23      VAL  10   7.753  11.864   5.303
   81    H    GLY  11           H        GLY  11   4.012  14.525   3.375
   82    HA2  GLY  11           HA2      GLY  11   5.387  16.875   2.293
   83    HA3  GLY  11           HA3      GLY  11   3.783  16.807   3.040
   84    H    GLY  12           H        GLY  12   6.797  15.523   4.451
   85    HA2  GLY  12           HA2      GLY  12   7.952  16.016   6.356
   86    HA3  GLY  12           HA3      GLY  12   7.633  17.703   5.929
   87    H    THR  13           H        THR  13   5.208  15.198   6.970
   88    HA   THR  13           HA       THR  13   4.061  16.868   8.982
   89    HB   THR  13           HB       THR  13   3.969  13.834   8.796
   90    HG1  THR  13           HG1      THR  13   3.075  13.959   7.006
   91   HG21  THR  13          HG21      THR  13   2.801  14.810  10.745
   92   HG22  THR  13          HG22      THR  13   1.887  15.892   9.674
   93   HG23  THR  13          HG23      THR  13   1.642  14.132   9.597
   94    HA   PRO  14           HA       PRO  14   7.347  16.302  12.015
   95    HB2  PRO  14           HB3      PRO  14   5.048  16.269  13.980
   96    HB3  PRO  14           HB2      PRO  14   6.618  17.124  14.099
   97    HG2  PRO  14           HG2      PRO  14   4.398  18.472  13.335
   98    HG3  PRO  14           HG3      PRO  14   5.945  18.738  12.468
   99    HD2  PRO  14           HD2      PRO  14   3.586  17.049  11.629
  100    HD3  PRO  14           HD3      PRO  14   4.616  18.138  10.649
  101    H    GLU  15           H        GLU  15   4.458  14.203  12.085
  102    HA   GLU  15           HA       GLU  15   5.641  12.209  13.794
  103    HB2  GLU  15           HB2      GLU  15   3.203  12.597  13.591
  104    HB3  GLU  15           HB3      GLU  15   3.247  12.041  11.911
  105    HG2  GLU  15           HG2      GLU  15   3.971   9.804  12.644
  106    HG3  GLU  15           HG3      GLU  15   4.093  10.359  14.315
  107    H    GLU  16           H        GLU  16   5.395  12.723  10.268
  108    HA   GLU  16           HA       GLU  16   6.425  10.060   9.627
  109    HB2  GLU  16           HB2      GLU  16   5.872  12.528   7.920
  110    HB3  GLU  16           HB3      GLU  16   6.384  10.953   7.290
  111    HG2  GLU  16           HG2      GLU  16   4.397   9.873   8.260
  112    HG3  GLU  16           HG3      GLU  16   3.855  11.402   8.947
  113    H    LEU  17           H        LEU  17   7.649  13.395   9.868
  114    HA   LEU  17           HA       LEU  17  10.355  12.926   9.100
  115    HB2  LEU  17           HB2      LEU  17   8.990  14.878  10.988
  116    HB3  LEU  17           HB3      LEU  17  10.735  14.879  10.806
  117    HG   LEU  17           HG       LEU  17   8.881  15.202   8.420
  118   HD11  LEU  17          HD11      LEU  17   8.427  17.020  10.009
  119   HD12  LEU  17          HD12      LEU  17  10.164  17.362  10.156
  120   HD13  LEU  17          HD13      LEU  17   9.321  17.637   8.615
  121   HD21  LEU  17          HD21      LEU  17  10.883  16.189   7.368
  122   HD22  LEU  17          HD22      LEU  17  11.816  15.945   8.858
  123   HD23  LEU  17          HD23      LEU  17  11.249  14.552   7.927
  124    H    LYS  18           H        LYS  18   8.582  12.039  12.051
  125    HA   LYS  18           HA       LYS  18  11.093  11.367  13.453
  126    HB2  LYS  18           HB2      LYS  18   9.152  12.257  14.699
  127    HB3  LYS  18           HB3      LYS  18   8.176  10.866  14.218
  128    HG2  LYS  18           HG2      LYS  18   9.739   9.348  15.411
  129    HG3  LYS  18           HG3      LYS  18  10.747  10.741  15.858
  130    HD2  LYS  18           HD2      LYS  18   8.838  11.713  17.116
  131    HD3  LYS  18           HD3      LYS  18   7.833  10.316  16.668
  132    HE2  LYS  18           HE2      LYS  18   9.427   8.802  17.828
  133    HE3  LYS  18           HE3      LYS  18  10.435  10.188  18.262
  134    HZ1  LYS  18           HZ1      LYS  18   8.989   9.547  20.079
  135    HZ2  LYS  18           HZ2      LYS  18   8.584  11.041  19.578
  136    HZ3  LYS  18           HZ3      LYS  18   7.649   9.759  19.179
  137    H    LYS  19           H        LYS  19   8.166   9.513  12.401
  138    HA   LYS  19           HA       LYS  19   9.338   7.009  12.967
  139    HB2  LYS  19           HB2      LYS  19   7.062   7.758  11.075
  140    HB3  LYS  19           HB3      LYS  19   7.496   6.095  11.494
  141    HG2  LYS  19           HG2      LYS  19   7.055   6.524  13.871
  142    HG3  LYS  19           HG3      LYS  19   6.656   8.216  13.524
  143    HD2  LYS  19           HD2      LYS  19   4.790   7.499  12.072
  144    HD3  LYS  19           HD3      LYS  19   5.152   5.802  12.400
  145    HE2  LYS  19           HE2      LYS  19   4.394   7.864  14.525
  146    HE3  LYS  19           HE3      LYS  19   3.243   6.783  13.734
  147    HZ1  LYS  19           HZ1      LYS  19   5.514   5.890  15.416
  148    HZ2  LYS  19           HZ2      LYS  19   3.943   5.885  15.844
  149    HZ3  LYS  19           HZ3      LYS  19   4.455   4.898  14.657
  150    H    LEU  20           H        LEU  20   9.124   8.710   9.767
  151    HA   LEU  20           HA       LEU  20  10.262   6.365   8.476
  152    HB2  LEU  20           HB2      LEU  20   9.875   9.141   7.324
  153    HB3  LEU  20           HB3      LEU  20  10.191   7.659   6.431
  154    HG   LEU  20           HG       LEU  20   7.661   8.350   7.998
  155   HD11  LEU  20          HD11      LEU  20   8.108   7.866   5.046
  156   HD12  LEU  20          HD12      LEU  20   6.561   8.217   5.846
  157   HD13  LEU  20          HD13      LEU  20   7.848   9.434   5.859
  158   HD21  LEU  20          HD21      LEU  20   8.044   5.936   8.293
  159   HD22  LEU  20          HD22      LEU  20   6.739   6.193   7.139
  160   HD23  LEU  20          HD23      LEU  20   8.357   5.748   6.552
  161    H    LYS  21           H        LYS  21  11.593   9.414   9.776
  162    HA   LYS  21           HA       LYS  21  14.227   9.005   8.676
  163    HB2  LYS  21           HB2      LYS  21  13.502  11.140   9.687
  164    HB3  LYS  21           HB3      LYS  21  13.353  10.354  11.265
  165    HG2  LYS  21           HG2      LYS  21  15.373  11.731  11.055
  166    HG3  LYS  21           HG3      LYS  21  15.742  10.048  11.428
  167    HD2  LYS  21           HD2      LYS  21  16.499   9.612   9.190
  168    HD3  LYS  21           HD3      LYS  21  15.832  11.155   8.590
  169    HE2  LYS  21           HE2      LYS  21  17.437  12.380  10.057
  170    HE3  LYS  21           HE3      LYS  21  18.101  10.842  10.617
  171    HZ1  LYS  21           HZ1      LYS  21  19.445  11.800   8.861
  172    HZ2  LYS  21           HZ2      LYS  21  18.812  10.397   8.331
  173    HZ3  LYS  21           HZ3      LYS  21  18.196  11.826   7.821
  174    H    GLU  22           H        GLU  22  12.571   7.760  11.643
  175    HA   GLU  22           HA       GLU  22  14.855   6.361  12.610
  176    HB2  GLU  22           HB2      GLU  22  12.460   6.818  13.700
  177    HB3  GLU  22           HB3      GLU  22  12.069   5.262  12.965
  178    HG2  GLU  22           HG2      GLU  22  12.789   4.651  15.085
  179    HG3  GLU  22           HG3      GLU  22  14.247   4.405  14.129
  180    H    GLU  23           H        GLU  23  12.289   5.325  10.290
  181    HA   GLU  23           HA       GLU  23  13.372   2.732   9.827
  182    HB2  GLU  23           HB2      GLU  23  11.778   4.565   7.982
  183    HB3  GLU  23           HB3      GLU  23  12.151   2.883   7.629
  184    HG2  GLU  23           HG2      GLU  23  10.551   3.786  10.060
  185    HG3  GLU  23           HG3      GLU  23   9.855   3.256   8.538
  186    H    ALA  24           H        ALA  24  14.166   5.882   8.274
  187    HA   ALA  24           HA       ALA  24  15.979   4.852   6.348
  188    HB1  ALA  24           HB1      ALA  24  16.218   7.525   7.808
  189    HB2  ALA  24           HB2      ALA  24  15.081   7.216   6.493
  190    HB3  ALA  24           HB3      ALA  24  16.828   7.104   6.200
  191    H    LYS  25           H        LYS  25  16.534   5.921   9.730
  192    HA   LYS  25           HA       LYS  25  19.343   5.292   9.750
  193    HB2  LYS  25           HB2      LYS  25  17.268   5.552  11.967
  194    HB3  LYS  25           HB3      LYS  25  18.998   5.362  12.261
  195    HG2  LYS  25           HG2      LYS  25  19.537   7.485  11.356
  196    HG3  LYS  25           HG3      LYS  25  18.009   7.626  10.491
  197    HD2  LYS  25           HD2      LYS  25  17.954   9.122  12.376
  198    HD3  LYS  25           HD3      LYS  25  16.775   7.829  12.605
  199    HE2  LYS  25           HE2      LYS  25  18.589   6.627  14.008
  200    HE3  LYS  25           HE3      LYS  25  19.491   8.148  13.961
  201    HZ1  LYS  25           HZ1      LYS  25  17.519   9.189  15.016
  202    HZ2  LYS  25           HZ2      LYS  25  16.781   7.712  15.084
  203    HZ3  LYS  25           HZ3      LYS  25  18.144   7.999  15.942
  204    H    LYS  26           H        LYS  26  16.397   3.363  10.474
  205    HA   LYS  26           HA       LYS  26  17.978   1.254  11.733
  206    HB2  LYS  26           HB2      LYS  26  15.042   1.673  11.098
  207    HB3  LYS  26           HB3      LYS  26  15.635   0.100  11.650
  208    HG2  LYS  26           HG2      LYS  26  16.511   1.073  13.710
  209    HG3  LYS  26           HG3      LYS  26  16.116   2.699  13.165
  210    HD2  LYS  26           HD2      LYS  26  14.435   1.969  14.759
  211    HD3  LYS  26           HD3      LYS  26  13.717   2.167  13.165
  212    HE2  LYS  26           HE2      LYS  26  12.790   0.193  14.163
  213    HE3  LYS  26           HE3      LYS  26  13.807  -0.301  12.812
  214    HZ1  LYS  26           HZ1      LYS  26  14.587  -0.405  15.675
  215    HZ2  LYS  26           HZ2      LYS  26  14.152  -1.682  14.768
  216    HZ3  LYS  26           HZ3      LYS  26  15.535  -0.892  14.432
  217    H    ALA  27           H        ALA  27  16.489   1.695   8.528
  218    HA   ALA  27           HA       ALA  27  17.487  -1.009   7.740
  219    HB1  ALA  27           HB1      ALA  27  15.441  -1.152   6.369
  220    HB2  ALA  27           HB2      ALA  27  15.053  -0.907   8.079
  221    HB3  ALA  27           HB3      ALA  27  14.934   0.449   6.938
  222    H    ASN  28           H        ASN  28  18.285   2.140   7.219
  223    HA   ASN  28           HA       ASN  28  19.503   3.221   5.711
  224    HB2  ASN  28           HB2      ASN  28  20.714   0.966   5.632
  225    HB3  ASN  28           HB3      ASN  28  19.811   0.661   4.136
  226   HD21  ASN  28          HD21      ASN  28  21.816   3.347   5.591
  227   HD22  ASN  28          HD22      ASN  28  22.679   3.680   4.116
  228    H    ILE  29           H        ILE  29  16.500   2.213   5.003
  229    HA   ILE  29           HA       ILE  29  16.364   2.391   2.190
  230    HB   ILE  29           HB       ILE  29  13.937   2.483   2.544
  231   HG12  ILE  29          HG12      ILE  29  12.996   1.992   4.793
  232   HG13  ILE  29          HG13      ILE  29  14.536   2.368   5.542
  233   HG21  ILE  29          HG21      ILE  29  13.787   0.248   3.399
  234   HG22  ILE  29          HG22      ILE  29  15.368   0.375   2.597
  235   HG23  ILE  29          HG23      ILE  29  15.259   0.432   4.352
  236   HD11  ILE  29          HD11      ILE  29  12.844   4.177   5.756
  237   HD12  ILE  29          HD12      ILE  29  14.304   4.721   4.958
  238   HD13  ILE  29          HD13      ILE  29  12.846   4.377   3.989
  239    H    ARG  30           H        ARG  30  15.161   4.031   0.855
  240    HA   ARG  30           HA       ARG  30  16.506   6.573   1.302
  241    HB2  ARG  30           HB2      ARG  30  14.285   6.102  -0.722
  242    HB3  ARG  30           HB3      ARG  30  15.565   7.301  -0.759
  243    HG2  ARG  30           HG2      ARG  30  17.233   5.429  -1.106
  244    HG3  ARG  30           HG3      ARG  30  15.859   4.303  -1.194
  245    HD2  ARG  30           HD2      ARG  30  14.911   5.832  -3.039
  246    HD3  ARG  30           HD3      ARG  30  16.476   6.632  -3.051
  247    HE   ARG  30           HE       ARG  30  17.501   4.722  -3.935
  248   HH11  ARG  30          HH22      ARG  30  13.998   4.174  -3.512
  249   HH12  ARG  30          HH21      ARG  30  13.996   2.702  -4.415
  250   HH21  ARG  30          HH11      ARG  30  17.464   2.785  -5.159
  251   HH22  ARG  30          HH12      ARG  30  16.000   1.908  -5.382
  252    H    VAL  31           H        VAL  31  15.608   8.517   1.902
  253    HA   VAL  31           HA       VAL  31  12.710   8.735   2.198
  254    HB   VAL  31           HB       VAL  31  12.907   9.890   4.375
  255   HG11  VAL  31          HG11      VAL  31  12.148   7.508   4.195
  256   HG12  VAL  31          HG12      VAL  31  12.873   7.915   5.750
  257   HG13  VAL  31          HG13      VAL  31  13.800   6.991   4.555
  258   HG21  VAL  31          HG21      VAL  31  14.832   9.496   5.855
  259   HG22  VAL  31          HG22      VAL  31  15.328  10.403   4.426
  260   HG23  VAL  31          HG23      VAL  31  15.703   8.673   4.542
  261    H    THR  32           H        THR  32  12.001  10.771   1.734
  262    HA   THR  32           HA       THR  32  13.864  13.019   1.463
  263    HB   THR  32           HB       THR  32  12.065  12.164  -0.851
  264    HG1  THR  32           HG1      THR  32  13.750  10.712  -0.761
  265   HG21  THR  32          HG21      THR  32  13.384  13.833  -2.132
  266   HG22  THR  32          HG22      THR  32  12.542  14.586  -0.770
  267   HG23  THR  32          HG23      THR  32  14.287  14.253  -0.659
  268    H    PHE  33           H        PHE  33  12.769  14.807   2.224
  269    HA   PHE  33           HA       PHE  33   9.886  14.405   2.924
  270    HB2  PHE  33           HB2      PHE  33  12.016  15.871   4.521
  271    HB3  PHE  33           HB3      PHE  33  10.370  15.523   5.003
  272    HD1  PHE  33           HD2      PHE  33   9.724  13.169   5.649
  273    HD2  PHE  33           HD1      PHE  33  13.807  14.231   4.778
  274    HE1  PHE  33           HE2      PHE  33  10.504  11.218   6.945
  275    HE2  PHE  33           HE1      PHE  33  14.582  12.218   6.030
  276    HZ   PHE  33           HZ       PHE  33  12.940  10.745   7.151
  277    H    TRP  34           H        TRP  34   8.664  15.800   1.722
  278    HA   TRP  34           HA       TRP  34   9.916  18.241   0.605
  279    HB2  TRP  34           HB2      TRP  34   7.335  16.725   0.111
  280    HB3  TRP  34           HB3      TRP  34   7.515  18.389  -0.416
  281    HD1  TRP  34           HD1      TRP  34   8.860  18.901  -2.521
  282    HE1  TRP  34           HE1      TRP  34  10.096  17.547  -4.291
  283    HE3  TRP  34           HE3      TRP  34   8.806  14.323  -0.207
  284    HZ2  TRP  34           HZ2      TRP  34  10.978  14.809  -4.665
  285    HZ3  TRP  34           HZ3      TRP  34   9.869  12.376  -1.295
  286    HH2  TRP  34           HH2      TRP  34  10.942  12.593  -3.520
  287    H    GLY  35           H        GLY  35   9.153  20.320   1.022
  288    HA2  GLY  35           HA2      GLY  35   7.632  20.780   3.512
  289    HA3  GLY  35           HA3      GLY  35   8.454  21.990   2.509
  290    H    ASP  36           H        ASP  36   6.080  19.421   1.720
  291    HA   ASP  36           HA       ASP  36   4.842  20.826  -0.396
  292    HB2  ASP  36           HB2      ASP  36   4.726  18.420  -0.271
  293    HB3  ASP  36           HB3      ASP  36   3.866  18.491   1.271
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  10.109  -4.692 -10.040
    2    H2   GLY   1           H2       GLY   1  10.628  -3.582  -8.950
    3    H3   GLY   1           H3       GLY   1   9.093  -4.145  -8.874
    4    HA2  GLY   1           HA2      GLY   1   9.864  -6.354  -8.332
    5    HA3  GLY   1           HA3      GLY   1  11.521  -5.745  -8.426
    6    H    SER   2           H        SER   2   8.902  -6.335  -6.337
    7    HA   SER   2           HA       SER   2   9.130  -4.317  -4.385
    8    HB2  SER   2           HB2      SER   2   8.464  -7.257  -3.959
    9    HB3  SER   2           HB3      SER   2   7.940  -5.881  -2.973
   10    HG   SER   2           HG       SER   2   6.315  -6.580  -4.437
   11    H    GLY   3           H        GLY   3  10.146  -4.374  -2.272
   12    HA2  GLY   3           HA2      GLY   3  12.011  -6.286  -1.373
   13    HA3  GLY   3           HA3      GLY   3  12.888  -5.006  -2.233
   14    H    GLN   4           H        GLN   4  13.598  -5.034   0.259
   15    HA   GLN   4           HA       GLN   4  11.937  -3.672   2.151
   16    HB2  GLN   4           HB2      GLN   4  13.925  -5.115   2.666
   17    HB3  GLN   4           HB3      GLN   4  14.982  -3.858   2.013
   18    HG2  GLN   4           HG2      GLN   4  14.180  -2.292   3.781
   19    HG3  GLN   4           HG3      GLN   4  13.100  -3.547   4.396
   20   HE21  GLN   4          HE21      GLN   4  13.962  -5.072   5.865
   21   HE22  GLN   4          HE22      GLN   4  15.649  -5.143   6.299
   22    H    VAL   5           H        VAL   5  14.281  -2.552  -0.293
   23    HA   VAL   5           HA       VAL   5  14.405   0.186   0.540
   24    HB   VAL   5           HB       VAL   5  14.941  -1.040  -2.202
   25   HG11  VAL   5          HG11      VAL   5  14.805   1.426  -2.303
   26   HG12  VAL   5          HG12      VAL   5  15.953   1.559  -0.948
   27   HG13  VAL   5          HG13      VAL   5  16.470   0.889  -2.508
   28   HG21  VAL   5          HG21      VAL   5  17.329  -1.087  -1.481
   29   HG22  VAL   5          HG22      VAL   5  16.837  -0.608   0.156
   30   HG23  VAL   5          HG23      VAL   5  16.338  -2.175  -0.517
   31    H    ARG   6           H        ARG   6  13.272   1.969  -0.132
   32    HA   ARG   6           HA       ARG   6  10.918   1.673  -1.876
   33    HB2  ARG   6           HB2      ARG   6   9.340   2.297  -0.151
   34    HB3  ARG   6           HB3      ARG   6  10.238   0.898   0.409
   35    HG2  ARG   6           HG2      ARG   6  11.789   2.729   1.604
   36    HG3  ARG   6           HG3      ARG   6  10.401   3.785   1.333
   37    HD2  ARG   6           HD2      ARG   6  10.180   2.888   3.514
   38    HD3  ARG   6           HD3      ARG   6   8.971   2.047   2.524
   39    HE   ARG   6           HE       ARG   6  11.141   0.381   2.351
   40   HH11  ARG   6          HH11      ARG   6   9.403   1.731   5.142
   41   HH12  ARG   6          HH12      ARG   6  10.095   0.614   6.278
   42   HH21  ARG   6          HH22      ARG   6  11.839  -1.183   3.737
   43   HH22  ARG   6          HH21      ARG   6  11.366  -1.215   5.419
   44    H    THR   7           H        THR   7   9.690   3.913  -1.700
   45    HA   THR   7           HA       THR   7  11.479   6.206  -1.241
   46    HB   THR   7           HB       THR   7   9.865   5.659  -3.784
   47    HG1  THR   7           HG1      THR   7  11.907   4.815  -3.872
   48   HG21  THR   7          HG21      THR   7  11.173   8.255  -2.893
   49   HG22  THR   7          HG22      THR   7  10.709   7.886  -4.572
   50   HG23  THR   7          HG23      THR   7   9.471   7.979  -3.320
   51    H    ILE   8           H        ILE   8  10.278   8.066  -0.766
   52    HA   ILE   8           HA       ILE   8   7.538   7.576   0.294
   53    HB   ILE   8           HB       ILE   8   8.083   8.506   2.385
   54   HG12  ILE   8          HG12      ILE   8  10.811   9.386   1.400
   55   HG13  ILE   8          HG13      ILE   8   9.403  10.442   1.555
   56   HG21  ILE   8          HG21      ILE   8   9.767   7.059   3.304
   57   HG22  ILE   8          HG22      ILE   8   9.094   6.174   1.939
   58   HG23  ILE   8          HG23      ILE   8  10.669   7.014   1.787
   59   HD11  ILE   8          HD11      ILE   8  10.742   9.001   3.858
   60   HD12  ILE   8          HD12      ILE   8  10.691  10.744   3.540
   61   HD13  ILE   8          HD13      ILE   8   9.200   9.865   3.929
   62    H    TRP   9           H        TRP   9   6.450   9.796   0.802
   63    HA   TRP   9           HA       TRP   9   7.601  12.056  -0.646
   64    HB2  TRP   9           HB2      TRP   9   5.744  10.413  -1.977
   65    HB3  TRP   9           HB3      TRP   9   4.790  11.774  -1.465
   66    HD1  TRP   9           HD1      TRP   9   7.311  10.674  -3.958
   67    HE1  TRP   9           HE1      TRP   9   7.916  12.541  -5.591
   68    HE3  TRP   9           HE3      TRP   9   5.292  14.646  -1.423
   69    HZ2  TRP   9           HZ2      TRP   9   7.584  15.421  -5.770
   70    HZ3  TRP   9           HZ3      TRP   9   5.565  16.941  -2.279
   71    HH2  TRP   9           HH2      TRP   9   6.671  17.346  -4.474
   72    H    VAL  10           H        VAL  10   7.343  11.619   2.121
   73    HA   VAL  10           HA       VAL  10   4.970  13.104   3.026
   74    HB   VAL  10           HB       VAL  10   5.776  12.850   5.234
   75   HG11  VAL  10          HG11      VAL  10   4.741  10.851   4.142
   76   HG12  VAL  10          HG12      VAL  10   6.372  10.210   3.841
   77   HG13  VAL  10          HG13      VAL  10   5.803  10.470   5.502
   78   HG21  VAL  10          HG21      VAL  10   8.087  13.323   5.120
   79   HG22  VAL  10          HG22      VAL  10   7.953  11.684   5.758
   80   HG23  VAL  10          HG23      VAL  10   8.425  11.946   4.059
   81    H    GLY  11           H        GLY  11   5.085  15.091   4.119
   82    HA2  GLY  11           HA2      GLY  11   7.460  16.645   4.355
   83    HA3  GLY  11           HA3      GLY  11   6.443  17.246   3.025
   84    H    GLY  12           H        GLY  12   6.966  18.622   5.540
   85    HA2  GLY  12           HA2      GLY  12   5.931  19.739   7.233
   86    HA3  GLY  12           HA3      GLY  12   4.518  19.712   6.171
   87    H    THR  13           H        THR  13   5.909  16.757   7.621
   88    HA   THR  13           HA       THR  13   3.571  16.471   9.424
   89    HB   THR  13           HB       THR  13   4.404  14.393   7.365
   90    HG1  THR  13           HG1      THR  13   3.404  16.099   6.323
   91   HG21  THR  13          HG21      THR  13   3.342  13.431   9.393
   92   HG22  THR  13          HG22      THR  13   1.988  14.569   9.235
   93   HG23  THR  13          HG23      THR  13   2.261  13.319   8.001
   94    HA   PRO  14           HA       PRO  14   7.745  15.440  11.213
   95    HB2  PRO  14           HB3      PRO  14   7.239  16.330  13.776
   96    HB3  PRO  14           HB2      PRO  14   7.880  17.338  12.445
   97    HG2  PRO  14           HG2      PRO  14   5.013  17.086  13.382
   98    HG3  PRO  14           HG3      PRO  14   5.928  18.578  12.993
   99    HD2  PRO  14           HD2      PRO  14   4.221  17.464  11.214
  100    HD3  PRO  14           HD3      PRO  14   5.767  18.175  10.664
  101    H    GLU  15           H        GLU  15   4.450  14.735  12.211
  102    HA   GLU  15           HA       GLU  15   4.966  12.765  14.171
  103    HB2  GLU  15           HB2      GLU  15   2.582  13.143  12.309
  104    HB3  GLU  15           HB3      GLU  15   2.607  12.070  13.716
  105    HG2  GLU  15           HG2      GLU  15   3.097  14.032  15.185
  106    HG3  GLU  15           HG3      GLU  15   2.963  15.098  13.785
  107    H    GLU  16           H        GLU  16   5.396  12.596  10.728
  108    HA   GLU  16           HA       GLU  16   5.608   9.613  10.886
  109    HB2  GLU  16           HB2      GLU  16   4.511  11.270   8.578
  110    HB3  GLU  16           HB3      GLU  16   4.844   9.528   8.548
  111    HG2  GLU  16           HG2      GLU  16   3.310   9.296  10.558
  112    HG3  GLU  16           HG3      GLU  16   2.844  10.979  10.321
  113    H    LEU  17           H        LEU  17   6.943  12.667   9.496
  114    HA   LEU  17           HA       LEU  17   9.036  11.297   8.118
  115    HB2  LEU  17           HB2      LEU  17   9.901  13.279   7.527
  116    HB3  LEU  17           HB3      LEU  17   8.222  13.700   7.778
  117    HG   LEU  17           HG       LEU  17   9.157  14.216  10.231
  118   HD11  LEU  17          HD11      LEU  17  11.537  13.632   9.781
  119   HD12  LEU  17          HD12      LEU  17  11.574  14.800   8.454
  120   HD13  LEU  17          HD13      LEU  17  11.373  15.350  10.130
  121   HD21  LEU  17          HD21      LEU  17   7.998  15.834   8.730
  122   HD22  LEU  17          HD22      LEU  17   9.356  16.607   9.556
  123   HD23  LEU  17          HD23      LEU  17   9.513  16.113   7.855
  124    H    LYS  18           H        LYS  18   8.507  12.010  11.537
  125    HA   LYS  18           HA       LYS  18  11.304  11.583  12.252
  126    HB2  LYS  18           HB2      LYS  18   8.713  11.488  13.839
  127    HB3  LYS  18           HB3      LYS  18  10.274  11.044  14.542
  128    HG2  LYS  18           HG2      LYS  18  11.220  13.231  14.090
  129    HG3  LYS  18           HG3      LYS  18   9.802  13.724  13.171
  130    HD2  LYS  18           HD2      LYS  18   9.716  14.759  15.341
  131    HD3  LYS  18           HD3      LYS  18   8.408  13.574  15.227
  132    HE2  LYS  18           HE2      LYS  18   9.768  11.943  16.521
  133    HE3  LYS  18           HE3      LYS  18  11.101  13.102  16.593
  134    HZ1  LYS  18           HZ1      LYS  18   8.428  13.506  17.811
  135    HZ2  LYS  18           HZ2      LYS  18   9.792  13.127  18.617
  136    HZ3  LYS  18           HZ3      LYS  18   9.667  14.573  17.882
  137    H    LYS  19           H        LYS  19   8.442   9.377  11.927
  138    HA   LYS  19           HA       LYS  19  10.089   7.124  12.793
  139    HB2  LYS  19           HB2      LYS  19   7.300   7.208  11.584
  140    HB3  LYS  19           HB3      LYS  19   8.170   5.730  12.019
  141    HG2  LYS  19           HG2      LYS  19   8.494   6.812  14.372
  142    HG3  LYS  19           HG3      LYS  19   7.271   7.974  13.865
  143    HD2  LYS  19           HD2      LYS  19   6.182   6.250  15.141
  144    HD3  LYS  19           HD3      LYS  19   5.684   6.085  13.462
  145    HE2  LYS  19           HE2      LYS  19   6.079   3.894  14.398
  146    HE3  LYS  19           HE3      LYS  19   7.292   4.202  13.159
  147    HZ1  LYS  19           HZ1      LYS  19   7.785   4.528  16.065
  148    HZ2  LYS  19           HZ2      LYS  19   8.160   3.193  15.218
  149    HZ3  LYS  19           HZ3      LYS  19   8.935   4.579  14.884
  150    H    LEU  20           H        LEU  20   9.248   8.574   9.632
  151    HA   LEU  20           HA       LEU  20  10.546   6.396   8.205
  152    HB2  LEU  20           HB2      LEU  20   9.845   9.209   7.312
  153    HB3  LEU  20           HB3      LEU  20  10.488   7.943   6.260
  154    HG   LEU  20           HG       LEU  20   7.840   7.814   7.784
  155   HD11  LEU  20          HD11      LEU  20   7.878   9.360   5.854
  156   HD12  LEU  20          HD12      LEU  20   6.745   8.012   5.678
  157   HD13  LEU  20          HD13      LEU  20   8.285   7.978   4.805
  158   HD21  LEU  20          HD21      LEU  20   7.400   5.771   6.394
  159   HD22  LEU  20          HD22      LEU  20   9.099   5.794   5.876
  160   HD23  LEU  20          HD23      LEU  20   8.671   5.532   7.584
  161    H    LYS  21           H        LYS  21  11.721   9.544   9.548
  162    HA   LYS  21           HA       LYS  21  14.430   9.177   8.690
  163    HB2  LYS  21           HB2      LYS  21  13.120  10.563  11.043
  164    HB3  LYS  21           HB3      LYS  21  14.839  10.278  11.126
  165    HG2  LYS  21           HG2      LYS  21  13.531  11.769   8.822
  166    HG3  LYS  21           HG3      LYS  21  14.172  12.529  10.282
  167    HD2  LYS  21           HD2      LYS  21  16.418  11.451   9.797
  168    HD3  LYS  21           HD3      LYS  21  15.767  10.936   8.226
  169    HE2  LYS  21           HE2      LYS  21  15.267  13.307   7.658
  170    HE3  LYS  21           HE3      LYS  21  15.874  13.818   9.234
  171    HZ1  LYS  21           HZ1      LYS  21  17.527  12.510   7.147
  172    HZ2  LYS  21           HZ2      LYS  21  17.541  14.098   7.513
  173    HZ3  LYS  21           HZ3      LYS  21  18.065  13.015   8.605
  174    H    GLU  22           H        GLU  22  12.751   7.945  11.628
  175    HA   GLU  22           HA       GLU  22  14.906   6.527  12.722
  176    HB2  GLU  22           HB2      GLU  22  12.836   6.965  13.909
  177    HB3  GLU  22           HB3      GLU  22  11.924   5.980  12.772
  178    HG2  GLU  22           HG2      GLU  22  13.056   3.947  13.539
  179    HG3  GLU  22           HG3      GLU  22  14.044   4.911  14.646
  180    H    GLU  23           H        GLU  23  12.474   5.352  10.299
  181    HA   GLU  23           HA       GLU  23  13.583   2.783   9.950
  182    HB2  GLU  23           HB2      GLU  23  11.331   3.648   9.116
  183    HB3  GLU  23           HB3      GLU  23  12.211   4.486   7.835
  184    HG2  GLU  23           HG2      GLU  23  11.527   2.547   6.796
  185    HG3  GLU  23           HG3      GLU  23  13.180   2.149   7.219
  186    H    ALA  24           H        ALA  24  14.402   5.877   8.298
  187    HA   ALA  24           HA       ALA  24  16.360   4.732   6.553
  188    HB1  ALA  24           HB1      ALA  24  15.188   6.911   6.222
  189    HB2  ALA  24           HB2      ALA  24  16.130   7.602   7.561
  190    HB3  ALA  24           HB3      ALA  24  16.952   7.044   6.089
  191    H    LYS  25           H        LYS  25  16.515   4.990   9.888
  192    HA   LYS  25           HA       LYS  25  19.512   4.967   9.865
  193    HB2  LYS  25           HB2      LYS  25  17.542   5.822  12.025
  194    HB3  LYS  25           HB3      LYS  25  19.282   5.634  12.280
  195    HG2  LYS  25           HG2      LYS  25  19.804   7.420  10.735
  196    HG3  LYS  25           HG3      LYS  25  18.148   7.500  10.146
  197    HD2  LYS  25           HD2      LYS  25  18.505   9.374  11.577
  198    HD3  LYS  25           HD3      LYS  25  17.363   8.276  12.361
  199    HE2  LYS  25           HE2      LYS  25  19.199   7.366  13.776
  200    HE3  LYS  25           HE3      LYS  25  20.358   8.424  12.963
  201    HZ1  LYS  25           HZ1      LYS  25  18.074   9.350  14.612
  202    HZ2  LYS  25           HZ2      LYS  25  19.637   9.352  15.067
  203    HZ3  LYS  25           HZ3      LYS  25  19.151  10.328  13.861
  204    H    LYS  26           H        LYS  26  16.522   3.302  10.727
  205    HA   LYS  26           HA       LYS  26  17.748   1.136  12.231
  206    HB2  LYS  26           HB2      LYS  26  15.390   1.798  12.442
  207    HB3  LYS  26           HB3      LYS  26  15.130   1.476  10.718
  208    HG2  LYS  26           HG2      LYS  26  15.380  -0.880  11.008
  209    HG3  LYS  26           HG3      LYS  26  15.895  -0.700  12.697
  210    HD2  LYS  26           HD2      LYS  26  13.773  -0.147  13.458
  211    HD3  LYS  26           HD3      LYS  26  13.242   0.521  11.923
  212    HE2  LYS  26           HE2      LYS  26  13.619  -2.458  12.448
  213    HE3  LYS  26           HE3      LYS  26  12.087  -1.582  12.550
  214    HZ1  LYS  26           HZ1      LYS  26  12.158  -2.494  10.410
  215    HZ2  LYS  26           HZ2      LYS  26  12.505  -0.898  10.178
  216    HZ3  LYS  26           HZ3      LYS  26  13.694  -2.022  10.121
  217    H    ALA  27           H        ALA  27  16.828   1.763   8.838
  218    HA   ALA  27           HA       ALA  27  18.545  -0.483   7.922
  219    HB1  ALA  27           HB1      ALA  27  16.173  -1.202   7.829
  220    HB2  ALA  27           HB2      ALA  27  15.757   0.258   6.905
  221    HB3  ALA  27           HB3      ALA  27  16.826  -0.977   6.199
  222    H    ASN  28           H        ASN  28  19.004  -0.179   5.568
  223    HA   ASN  28           HA       ASN  28  20.217   2.428   5.219
  224    HB2  ASN  28           HB2      ASN  28  21.252   0.172   4.677
  225    HB3  ASN  28           HB3      ASN  28  20.114   0.039   3.327
  226   HD21  ASN  28          HD21      ASN  28  22.500   2.471   4.654
  227   HD22  ASN  28          HD22      ASN  28  23.160   2.877   3.094
  228    H    ILE  29           H        ILE  29  17.081   1.730   4.697
  229    HA   ILE  29           HA       ILE  29  16.680   2.067   1.946
  230    HB   ILE  29           HB       ILE  29  14.302   2.336   2.481
  231   HG12  ILE  29          HG12      ILE  29  13.529   1.881   4.824
  232   HG13  ILE  29          HG13      ILE  29  15.149   2.203   5.432
  233   HG21  ILE  29          HG21      ILE  29  14.059   0.101   3.368
  234   HG22  ILE  29          HG22      ILE  29  15.533   0.115   2.386
  235   HG23  ILE  29          HG23      ILE  29  15.643   0.144   4.146
  236   HD11  ILE  29          HD11      ILE  29  13.381   4.235   4.010
  237   HD12  ILE  29          HD12      ILE  29  13.553   4.063   5.771
  238   HD13  ILE  29          HD13      ILE  29  14.936   4.555   4.826
  239    H    ARG  30           H        ARG  30  15.679   3.693   0.708
  240    HA   ARG  30           HA       ARG  30  16.865   6.317   1.139
  241    HB2  ARG  30           HB2      ARG  30  16.882   5.367  -1.056
  242    HB3  ARG  30           HB3      ARG  30  15.164   5.028  -1.045
  243    HG2  ARG  30           HG2      ARG  30  16.114   7.900  -0.850
  244    HG3  ARG  30           HG3      ARG  30  16.165   7.055  -2.396
  245    HD2  ARG  30           HD2      ARG  30  13.784   6.585  -2.328
  246    HD3  ARG  30           HD3      ARG  30  13.626   7.320  -0.737
  247    HE   ARG  30           HE       ARG  30  14.084   9.482  -1.632
  248   HH11  ARG  30          HH21      ARG  30  13.326   7.109  -4.178
  249   HH12  ARG  30          HH22      ARG  30  13.542   8.250  -5.458
  250   HH21  ARG  30          HH11      ARG  30  14.063  10.970  -3.202
  251   HH22  ARG  30          HH12      ARG  30  13.828  10.570  -4.884
  252    H    VAL  31           H        VAL  31  15.799   8.205   1.583
  253    HA   VAL  31           HA       VAL  31  12.884   8.333   1.753
  254    HB   VAL  31           HB       VAL  31  13.001   9.555   3.928
  255   HG11  VAL  31          HG11      VAL  31  12.274   7.157   3.811
  256   HG12  VAL  31          HG12      VAL  31  12.974   7.612   5.371
  257   HG13  VAL  31          HG13      VAL  31  13.929   6.676   4.213
  258   HG21  VAL  31          HG21      VAL  31  15.424  10.085   4.000
  259   HG22  VAL  31          HG22      VAL  31  15.805   8.363   4.193
  260   HG23  VAL  31          HG23      VAL  31  14.906   9.225   5.453
  261    H    THR  32           H        THR  32  12.173  10.490   1.535
  262    HA   THR  32           HA       THR  32  14.139  12.650   1.203
  263    HB   THR  32           HB       THR  32  12.177  11.964  -1.026
  264    HG1  THR  32           HG1      THR  32  14.939  11.473  -0.750
  265   HG21  THR  32          HG21      THR  32  13.480  13.621  -2.345
  266   HG22  THR  32          HG22      THR  32  12.685  14.364  -0.954
  267   HG23  THR  32          HG23      THR  32  14.430  14.020  -0.895
  268    H    PHE  33           H        PHE  33  13.206  14.631   1.720
  269    HA   PHE  33           HA       PHE  33  10.412  14.495   2.780
  270    HB2  PHE  33           HB2      PHE  33  12.839  15.789   4.083
  271    HB3  PHE  33           HB3      PHE  33  11.216  15.671   4.743
  272    HD1  PHE  33           HD1      PHE  33  10.279  13.246   5.090
  273    HD2  PHE  33           HD2      PHE  33  14.462  14.118   4.611
  274    HE1  PHE  33           HE1      PHE  33  10.842  11.140   6.270
  275    HE2  PHE  33           HE2      PHE  33  15.028  11.976   5.729
  276    HZ   PHE  33           HZ       PHE  33  13.212  10.504   6.606
  277    H    TRP  34           H        TRP  34   9.213  15.922   1.640
  278    HA   TRP  34           HA       TRP  34  10.506  18.244   0.346
  279    HB2  TRP  34           HB2      TRP  34   7.774  16.938   0.178
  280    HB3  TRP  34           HB3      TRP  34   8.068  18.536  -0.489
  281    HD1  TRP  34           HD1      TRP  34   9.331  18.758  -2.710
  282    HE1  TRP  34           HE1      TRP  34  10.315  17.164  -4.436
  283    HE3  TRP  34           HE3      TRP  34   8.958  14.373  -0.064
  284    HZ2  TRP  34           HZ2      TRP  34  10.919  14.335  -4.643
  285    HZ3  TRP  34           HZ3      TRP  34   9.805  12.270  -1.036
  286    HH2  TRP  34           HH2      TRP  34  10.758  12.222  -3.325
  287    H    GLY  35           H        GLY  35   9.706  20.393   0.610
  288    HA2  GLY  35           HA2      GLY  35   8.758  21.112   3.306
  289    HA3  GLY  35           HA3      GLY  35   9.278  22.208   2.012
  290    H    ASP  36           H        ASP  36   6.865  19.560   2.193
  291    HA   ASP  36           HA       ASP  36   5.104  20.584   0.260
  292    HB2  ASP  36           HB2      ASP  36   5.048  18.254   0.901
  293    HB3  ASP  36           HB3      ASP  36   4.578  18.673   2.554
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   7.788  -7.816  -3.875
    2    H2   GLY   1           H2       GLY   1   9.073  -8.830  -3.780
    3    H3   GLY   1           H3       GLY   1   8.819  -7.958  -5.143
    4    HA2  GLY   1           HA2      GLY   1   9.223  -5.899  -3.974
    5    HA3  GLY   1           HA3      GLY   1   9.486  -6.844  -2.502
    6    H    SER   2           H        SER   2  11.019  -5.414  -5.185
    7    HA   SER   2           HA       SER   2  13.102  -7.187  -5.779
    8    HB2  SER   2           HB2      SER   2  13.212  -4.149  -5.844
    9    HB3  SER   2           HB3      SER   2  14.102  -5.288  -6.870
   10    HG   SER   2           HG       SER   2  12.267  -4.405  -7.929
   11    H    GLY   3           H        GLY   3  12.753  -5.055  -2.970
   12    HA2  GLY   3           HA2      GLY   3  14.874  -6.236  -1.531
   13    HA3  GLY   3           HA3      GLY   3  15.431  -4.691  -2.204
   14    H    GLN   4           H        GLN   4  15.457  -4.550   0.373
   15    HA   GLN   4           HA       GLN   4  12.971  -3.997   1.694
   16    HB2  GLN   4           HB2      GLN   4  15.218  -4.746   2.693
   17    HB3  GLN   4           HB3      GLN   4  15.767  -3.084   2.496
   18    HG2  GLN   4           HG2      GLN   4  15.073  -3.450   4.780
   19    HG3  GLN   4           HG3      GLN   4  13.944  -2.327   4.043
   20   HE21  GLN   4          HE21      GLN   4  14.386  -5.805   4.934
   21   HE22  GLN   4          HE22      GLN   4  12.684  -6.141   5.124
   22    H    VAL   5           H        VAL   5  14.908  -2.067  -0.471
   23    HA   VAL   5           HA       VAL   5  14.464   0.509   0.605
   24    HB   VAL   5           HB       VAL   5  14.846  -0.296  -2.308
   25   HG11  VAL   5          HG11      VAL   5  15.352   2.367  -0.897
   26   HG12  VAL   5          HG12      VAL   5  15.840   1.974  -2.559
   27   HG13  VAL   5          HG13      VAL   5  14.130   2.048  -2.151
   28   HG21  VAL   5          HG21      VAL   5  16.696  -1.180  -0.939
   29   HG22  VAL   5          HG22      VAL   5  17.255   0.194  -1.884
   30   HG23  VAL   5          HG23      VAL   5  16.901   0.402  -0.157
   31    H    ARG   6           H        ARG   6  12.953   2.068   0.228
   32    HA   ARG   6           HA       ARG   6  10.601   1.591  -1.424
   33    HB2  ARG   6           HB2      ARG   6   9.044   2.382   0.317
   34    HB3  ARG   6           HB3      ARG   6   9.734   0.828   0.722
   35    HG2  ARG   6           HG2      ARG   6  11.192   3.202   1.848
   36    HG3  ARG   6           HG3      ARG   6   9.552   2.981   2.436
   37    HD2  ARG   6           HD2      ARG   6  11.592   0.729   2.434
   38    HD3  ARG   6           HD3      ARG   6  11.420   1.869   3.773
   39    HE   ARG   6           HE       ARG   6   8.924   1.138   3.694
   40   HH11  ARG   6          HH22      ARG   6  11.631  -1.102   3.111
   41   HH12  ARG   6          HH21      ARG   6  10.967  -2.380   4.052
   42   HH21  ARG   6          HH11      ARG   6   7.953  -0.629   4.799
   43   HH22  ARG   6          HH12      ARG   6   8.778  -2.133   4.933
   44    H    THR   7           H        THR   7   9.353   3.938  -1.188
   45    HA   THR   7           HA       THR   7  11.228   6.176  -1.042
   46    HB   THR   7           HB       THR   7   9.488   5.629  -3.499
   47    HG1  THR   7           HG1      THR   7  11.061   4.198  -3.754
   48   HG21  THR   7          HG21      THR   7  11.636   7.714  -2.925
   49   HG22  THR   7          HG22      THR   7  10.966   7.378  -4.537
   50   HG23  THR   7          HG23      THR   7   9.913   7.991  -3.260
   51    H    ILE   8           H        ILE   8  10.096   8.122  -0.820
   52    HA   ILE   8           HA       ILE   8   7.346   7.832   0.300
   53    HB   ILE   8           HB       ILE   8   7.996   9.001   2.273
   54   HG12  ILE   8          HG12      ILE   8  10.815   9.355   1.208
   55   HG13  ILE   8          HG13      ILE   8   9.581  10.622   1.175
   56   HG21  ILE   8          HG21      ILE   8   9.538   7.441   3.322
   57   HG22  ILE   8          HG22      ILE   8   8.626   6.532   2.121
   58   HG23  ILE   8          HG23      ILE   8  10.300   7.053   1.788
   59   HD11  ILE   8          HD11      ILE   8   9.289  10.384   3.632
   60   HD12  ILE   8          HD12      ILE   8  10.714   9.338   3.676
   61   HD13  ILE   8          HD13      ILE   8  10.867  11.027   3.146
   62    H    TRP   9           H        TRP   9   6.360  10.127   0.668
   63    HA   TRP   9           HA       TRP   9   7.492  12.236  -1.004
   64    HB2  TRP   9           HB2      TRP   9   5.622  10.470  -2.161
   65    HB3  TRP   9           HB3      TRP   9   4.675  11.876  -1.781
   66    HD1  TRP   9           HD1      TRP   9   6.767  10.487  -4.380
   67    HE1  TRP   9           HE1      TRP   9   7.486  12.207  -6.123
   68    HE3  TRP   9           HE3      TRP   9   5.736  14.775  -1.758
   69    HZ2  TRP   9           HZ2      TRP   9   7.632  15.099  -6.347
   70    HZ3  TRP   9           HZ3      TRP   9   6.287  16.980  -2.709
   71    HH2  TRP   9           HH2      TRP   9   7.200  17.165  -5.019
   72    H    VAL  10           H        VAL  10   7.299  12.076   1.759
   73    HA   VAL  10           HA       VAL  10   4.848  13.236   2.751
   74    HB   VAL  10           HB       VAL  10   6.097  13.438   4.879
   75   HG11  VAL  10          HG11      VAL  10   4.946  11.314   4.198
   76   HG12  VAL  10          HG12      VAL  10   6.511  10.689   3.634
   77   HG13  VAL  10          HG13      VAL  10   6.269  11.097   5.345
   78   HG21  VAL  10          HG21      VAL  10   8.475  12.440   3.240
   79   HG22  VAL  10          HG22      VAL  10   8.343  13.928   4.180
   80   HG23  VAL  10          HG23      VAL  10   8.381  12.355   5.006
   81    H    GLY  11           H        GLY  11   4.513  15.263   3.630
   82    HA2  GLY  11           HA2      GLY  11   6.379  17.474   3.183
   83    HA3  GLY  11           HA3      GLY  11   4.910  17.487   2.186
   84    H    GLY  12           H        GLY  12   5.363  16.353   5.571
   85    HA2  GLY  12           HA2      GLY  12   4.454  18.380   7.156
   86    HA3  GLY  12           HA3      GLY  12   2.966  17.664   6.497
   87    H    THR  13           H        THR  13   2.844  17.204   8.994
   88    HA   THR  13           HA       THR  13   2.691  15.716  10.629
   89    HB   THR  13           HB       THR  13   3.232  13.555   8.571
   90    HG1  THR  13           HG1      THR  13   1.671  15.033   7.820
   91   HG21  THR  13          HG21      THR  13   1.441  13.637  11.055
   92   HG22  THR  13          HG22      THR  13   1.646  12.263   9.945
   93   HG23  THR  13          HG23      THR  13   2.997  12.795  10.952
   94    HA   PRO  14           HA       PRO  14   7.315  15.772  10.974
   95    HB2  PRO  14           HB3      PRO  14   7.451  16.817  13.538
   96    HB3  PRO  14           HB2      PRO  14   7.405  17.776  12.027
   97    HG2  PRO  14           HG2      PRO  14   5.103  17.060  13.857
   98    HG3  PRO  14           HG3      PRO  14   5.488  18.651  13.127
   99    HD2  PRO  14           HD2      PRO  14   3.614  17.025  12.055
  100    HD3  PRO  14           HD3      PRO  14   4.715  17.955  10.995
  101    H    GLU  15           H        GLU  15   4.786  14.373  12.990
  102    HA   GLU  15           HA       GLU  15   6.445  12.628  14.537
  103    HB2  GLU  15           HB2      GLU  15   4.003  13.109  14.946
  104    HB3  GLU  15           HB3      GLU  15   3.614  12.136  13.519
  105    HG2  GLU  15           HG2      GLU  15   4.860  10.200  14.654
  106    HG3  GLU  15           HG3      GLU  15   4.960  11.206  16.097
  107    H    GLU  16           H        GLU  16   5.030  12.369  11.202
  108    HA   GLU  16           HA       GLU  16   5.903   9.649  10.839
  109    HB2  GLU  16           HB2      GLU  16   3.837  10.364   9.873
  110    HB3  GLU  16           HB3      GLU  16   4.579  11.796   9.139
  111    HG2  GLU  16           HG2      GLU  16   5.833  10.533   7.631
  112    HG3  GLU  16           HG3      GLU  16   5.461   9.009   8.459
  113    H    LEU  17           H        LEU  17   7.128  12.962  10.170
  114    HA   LEU  17           HA       LEU  17   9.272  12.170   8.440
  115    HB2  LEU  17           HB2      LEU  17   9.268  14.460  10.453
  116    HB3  LEU  17           HB3      LEU  17  10.388  14.238   9.121
  117    HG   LEU  17           HG       LEU  17   7.420  14.842   8.877
  118   HD11  LEU  17          HD11      LEU  17   9.857  16.537   8.184
  119   HD12  LEU  17          HD12      LEU  17   8.152  17.012   8.013
  120   HD13  LEU  17          HD13      LEU  17   8.845  16.756   9.621
  121   HD21  LEU  17          HD21      LEU  17   9.487  14.522   6.686
  122   HD22  LEU  17          HD22      LEU  17   8.084  13.460   6.997
  123   HD23  LEU  17          HD23      LEU  17   7.827  15.124   6.468
  124    H    LYS  18           H        LYS  18   8.951  12.419  12.020
  125    HA   LYS  18           HA       LYS  18  11.624  11.557  12.574
  126    HB2  LYS  18           HB2      LYS  18  10.119  12.731  14.170
  127    HB3  LYS  18           HB3      LYS  18   9.112  11.282  14.287
  128    HG2  LYS  18           HG2      LYS  18  11.060  10.002  15.158
  129    HG3  LYS  18           HG3      LYS  18  12.062  11.452  15.061
  130    HD2  LYS  18           HD2      LYS  18   9.547  11.109  16.757
  131    HD3  LYS  18           HD3      LYS  18  11.192  10.965  17.363
  132    HE2  LYS  18           HE2      LYS  18   9.969  13.503  16.177
  133    HE3  LYS  18           HE3      LYS  18  10.103  13.144  17.897
  134    HZ1  LYS  18           HZ1      LYS  18  12.406  13.480  16.064
  135    HZ2  LYS  18           HZ2      LYS  18  11.905  14.550  17.183
  136    HZ3  LYS  18           HZ3      LYS  18  12.514  13.119  17.657
  137    H    LYS  19           H        LYS  19   8.513   9.690  12.362
  138    HA   LYS  19           HA       LYS  19   9.729   7.178  12.941
  139    HB2  LYS  19           HB2      LYS  19   7.203   7.926  11.419
  140    HB3  LYS  19           HB3      LYS  19   7.679   6.250  11.711
  141    HG2  LYS  19           HG2      LYS  19   7.578   6.497  14.088
  142    HG3  LYS  19           HG3      LYS  19   7.397   8.251  13.994
  143    HD2  LYS  19           HD2      LYS  19   5.182   8.053  13.018
  144    HD3  LYS  19           HD3      LYS  19   5.346   6.285  12.893
  145    HE2  LYS  19           HE2      LYS  19   5.506   6.086  15.330
  146    HE3  LYS  19           HE3      LYS  19   5.455   7.843  15.518
  147    HZ1  LYS  19           HZ1      LYS  19   3.314   6.683  15.904
  148    HZ2  LYS  19           HZ2      LYS  19   3.203   7.877  14.805
  149    HZ3  LYS  19           HZ3      LYS  19   3.231   6.294  14.325
  150    H    LEU  20           H        LEU  20   9.141   8.737   9.730
  151    HA   LEU  20           HA       LEU  20  10.299   6.556   8.257
  152    HB2  LEU  20           HB2      LEU  20   9.923   9.490   7.532
  153    HB3  LEU  20           HB3      LEU  20  10.482   8.251   6.411
  154    HG   LEU  20           HG       LEU  20   7.723   8.363   7.718
  155   HD11  LEU  20          HD11      LEU  20   8.503   8.640   4.834
  156   HD12  LEU  20          HD12      LEU  20   8.152   9.988   5.938
  157   HD13  LEU  20          HD13      LEU  20   6.891   8.800   5.549
  158   HD21  LEU  20          HD21      LEU  20   8.318   5.999   7.470
  159   HD22  LEU  20          HD22      LEU  20   7.165   6.452   6.218
  160   HD23  LEU  20          HD23      LEU  20   8.888   6.290   5.807
  161    H    LYS  21           H        LYS  21  11.712   9.586   9.662
  162    HA   LYS  21           HA       LYS  21  14.340   9.068   8.658
  163    HB2  LYS  21           HB2      LYS  21  13.686  11.202   9.703
  164    HB3  LYS  21           HB3      LYS  21  13.484  10.410  11.262
  165    HG2  LYS  21           HG2      LYS  21  15.558  11.699  11.111
  166    HG3  LYS  21           HG3      LYS  21  15.873   9.994  11.435
  167    HD2  LYS  21           HD2      LYS  21  16.629   9.602   9.187
  168    HD3  LYS  21           HD3      LYS  21  15.998  11.173   8.630
  169    HE2  LYS  21           HE2      LYS  21  17.632  12.329  10.115
  170    HE3  LYS  21           HE3      LYS  21  18.263  10.766  10.641
  171    HZ1  LYS  21           HZ1      LYS  21  18.955  10.352   8.341
  172    HZ2  LYS  21           HZ2      LYS  21  18.374  11.807   7.866
  173    HZ3  LYS  21           HZ3      LYS  21  19.625  11.726   8.901
  174    H    GLU  22           H        GLU  22  12.702   7.817  11.617
  175    HA   GLU  22           HA       GLU  22  14.948   6.355  12.565
  176    HB2  GLU  22           HB2      GLU  22  12.768   6.934  13.785
  177    HB3  GLU  22           HB3      GLU  22  12.039   5.557  12.943
  178    HG2  GLU  22           HG2      GLU  22  13.838   4.091  13.908
  179    HG3  GLU  22           HG3      GLU  22  14.459   5.481  14.796
  180    H    GLU  23           H        GLU  23  12.359   5.386  10.243
  181    HA   GLU  23           HA       GLU  23  13.330   2.729   9.837
  182    HB2  GLU  23           HB2      GLU  23  11.815   4.629   7.985
  183    HB3  GLU  23           HB3      GLU  23  12.162   2.954   7.587
  184    HG2  GLU  23           HG2      GLU  23  10.556   3.802  10.033
  185    HG3  GLU  23           HG3      GLU  23   9.860   3.350   8.486
  186    H    ALA  24           H        ALA  24  14.229   5.824   8.219
  187    HA   ALA  24           HA       ALA  24  16.049   4.652   6.369
  188    HB1  ALA  24           HB1      ALA  24  16.236   7.401   7.683
  189    HB2  ALA  24           HB2      ALA  24  16.981   6.885   6.159
  190    HB3  ALA  24           HB3      ALA  24  15.214   7.002   6.289
  191    H    LYS  25           H        LYS  25  16.562   5.876   9.708
  192    HA   LYS  25           HA       LYS  25  19.359   5.216   9.788
  193    HB2  LYS  25           HB2      LYS  25  17.266   5.621  11.966
  194    HB3  LYS  25           HB3      LYS  25  18.984   5.368  12.298
  195    HG2  LYS  25           HG2      LYS  25  19.621   7.393  11.164
  196    HG3  LYS  25           HG3      LYS  25  18.019   7.607  10.467
  197    HD2  LYS  25           HD2      LYS  25  18.295   9.172  12.263
  198    HD3  LYS  25           HD3      LYS  25  17.055   7.994  12.705
  199    HE2  LYS  25           HE2      LYS  25  18.715   6.757  14.090
  200    HE3  LYS  25           HE3      LYS  25  19.977   7.897  13.606
  201    HZ1  LYS  25           HZ1      LYS  25  19.074   8.439  15.773
  202    HZ2  LYS  25           HZ2      LYS  25  18.741   9.649  14.740
  203    HZ3  LYS  25           HZ3      LYS  25  17.566   8.599  15.183
  204    H    LYS  26           H        LYS  26  16.402   3.303  10.498
  205    HA   LYS  26           HA       LYS  26  17.955   1.208  11.808
  206    HB2  LYS  26           HB2      LYS  26  15.044   1.646  11.108
  207    HB3  LYS  26           HB3      LYS  26  15.601   0.021  11.535
  208    HG2  LYS  26           HG2      LYS  26  16.520   0.836  13.657
  209    HG3  LYS  26           HG3      LYS  26  16.012   2.491  13.275
  210    HD2  LYS  26           HD2      LYS  26  13.660   1.829  13.300
  211    HD3  LYS  26           HD3      LYS  26  14.101   0.120  13.508
  212    HE2  LYS  26           HE2      LYS  26  15.108   0.567  15.679
  213    HE3  LYS  26           HE3      LYS  26  14.866   2.308  15.490
  214    HZ1  LYS  26           HZ1      LYS  26  12.528   2.019  15.645
  215    HZ2  LYS  26           HZ2      LYS  26  12.631   0.369  15.610
  216    HZ3  LYS  26           HZ3      LYS  26  13.186   1.205  16.895
  217    H    ALA  27           H        ALA  27  16.441   1.559   8.581
  218    HA   ALA  27           HA       ALA  27  17.537  -1.120   7.857
  219    HB1  ALA  27           HB1      ALA  27  15.085  -0.913   7.936
  220    HB2  ALA  27           HB2      ALA  27  15.149   0.409   6.751
  221    HB3  ALA  27           HB3      ALA  27  15.657  -1.229   6.289
  222    H    ASN  28           H        ASN  28  18.492   1.991   7.420
  223    HA   ASN  28           HA       ASN  28  19.885   3.049   6.062
  224    HB2  ASN  28           HB2      ASN  28  21.039   0.760   5.955
  225    HB3  ASN  28           HB3      ASN  28  20.216   0.554   4.399
  226   HD21  ASN  28          HD21      ASN  28  21.890   0.747   2.889
  227   HD22  ASN  28          HD22      ASN  28  22.987   2.099   2.819
  228    H    ILE  29           H        ILE  29  16.917   2.088   5.084
  229    HA   ILE  29           HA       ILE  29  16.965   2.412   2.293
  230    HB   ILE  29           HB       ILE  29  14.504   2.577   2.507
  231   HG12  ILE  29          HG12      ILE  29  13.540   1.881   4.792
  232   HG13  ILE  29          HG13      ILE  29  15.020   2.462   5.525
  233   HG21  ILE  29          HG21      ILE  29  15.758   0.366   4.183
  234   HG22  ILE  29          HG22      ILE  29  14.258   0.284   3.257
  235   HG23  ILE  29          HG23      ILE  29  15.811   0.432   2.416
  236   HD11  ILE  29          HD11      ILE  29  14.499   4.745   4.790
  237   HD12  ILE  29          HD12      ILE  29  13.070   4.158   3.905
  238   HD13  ILE  29          HD13      ILE  29  13.154   4.058   5.681
  239    H    ARG  30           H        ARG  30  16.288   4.098   0.898
  240    HA   ARG  30           HA       ARG  30  17.242   6.698   1.828
  241    HB2  ARG  30           HB2      ARG  30  17.910   5.938  -0.347
  242    HB3  ARG  30           HB3      ARG  30  16.258   5.680  -0.879
  243    HG2  ARG  30           HG2      ARG  30  17.190   8.445  -0.020
  244    HG3  ARG  30           HG3      ARG  30  17.627   7.829  -1.603
  245    HD2  ARG  30           HD2      ARG  30  14.705   8.050  -0.703
  246    HD3  ARG  30           HD3      ARG  30  15.585   9.314  -1.538
  247    HE   ARG  30           HE       ARG  30  15.686   8.040  -3.494
  248   HH11  ARG  30          HH12      ARG  30  13.994   6.264  -0.892
  249   HH12  ARG  30          HH11      ARG  30  13.111   5.270  -1.980
  250   HH21  ARG  30          HH22      ARG  30  14.410   6.697  -4.936
  251   HH22  ARG  30          HH21      ARG  30  13.190   5.663  -4.246
  252    H    VAL  31           H        VAL  31  16.016   8.422   2.388
  253    HA   VAL  31           HA       VAL  31  13.076   8.369   1.915
  254    HB   VAL  31           HB       VAL  31  12.938   9.733   4.040
  255   HG11  VAL  31          HG11      VAL  31  12.234   7.364   3.915
  256   HG12  VAL  31          HG12      VAL  31  13.880   6.855   4.325
  257   HG13  VAL  31          HG13      VAL  31  12.907   7.753   5.503
  258   HG21  VAL  31          HG21      VAL  31  15.735   8.648   4.599
  259   HG22  VAL  31          HG22      VAL  31  15.305  10.351   4.327
  260   HG23  VAL  31          HG23      VAL  31  14.679   9.491   5.742
  261    H    THR  32           H        THR  32  12.150  10.403   1.558
  262    HA   THR  32           HA       THR  32  14.001  12.465   0.484
  263    HB   THR  32           HB       THR  32  11.557  11.622  -1.072
  264    HG1  THR  32           HG1      THR  32  12.754  10.088  -2.152
  265   HG21  THR  32          HG21      THR  32  12.979  12.356  -2.960
  266   HG22  THR  32          HG22      THR  32  12.857  13.628  -1.732
  267   HG23  THR  32          HG23      THR  32  14.333  12.642  -1.845
  268    H    PHE  33           H        PHE  33  13.577  13.949   2.056
  269    HA   PHE  33           HA       PHE  33  10.783  14.500   2.859
  270    HB2  PHE  33           HB2      PHE  33  13.421  15.582   3.938
  271    HB3  PHE  33           HB3      PHE  33  11.829  15.833   4.633
  272    HD1  PHE  33           HD2      PHE  33  10.517  13.406   4.981
  273    HD2  PHE  33           HD1      PHE  33  14.769  14.070   5.115
  274    HE1  PHE  33           HE2      PHE  33  10.754  11.493   6.531
  275    HE2  PHE  33           HE1      PHE  33  15.020  12.113   6.612
  276    HZ   PHE  33           HZ       PHE  33  13.022  10.830   7.344
  277    H    TRP  34           H        TRP  34   9.918  15.586   1.077
  278    HA   TRP  34           HA       TRP  34  11.234  17.862  -0.146
  279    HB2  TRP  34           HB2      TRP  34   8.426  16.742  -0.169
  280    HB3  TRP  34           HB3      TRP  34   8.694  18.381  -0.727
  281    HD1  TRP  34           HD1      TRP  34  10.084  18.777  -2.905
  282    HE1  TRP  34           HE1      TRP  34  10.815  17.305  -4.858
  283    HE3  TRP  34           HE3      TRP  34   9.081  14.187  -0.852
  284    HZ2  TRP  34           HZ2      TRP  34  11.027  14.461  -5.432
  285    HZ3  TRP  34           HZ3      TRP  34   9.575  12.133  -2.130
  286    HH2  TRP  34           HH2      TRP  34  10.536  12.245  -4.409
  287    H    GLY  35           H        GLY  35   8.787  17.503   2.404
  288    HA2  GLY  35           HA2      GLY  35   8.228  18.950   4.166
  289    HA3  GLY  35           HA3      GLY  35   9.407  20.136   3.578
  290    H    ASP  36           H        ASP  36   8.741  20.601   0.990
  291    HA   ASP  36           HA       ASP  36   5.943  20.626   0.371
  292    HB2  ASP  36           HB2      ASP  36   5.890  22.706   1.663
  293    HB3  ASP  36           HB3      ASP  36   7.380  23.271   0.901
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   8.677 -10.165  -5.334
    2    H2   GLY   1           H2       GLY   1   9.576 -10.688  -6.603
    3    H3   GLY   1           H3       GLY   1   8.743  -9.278  -6.709
    4    HA2  GLY   1           HA2      GLY   1  11.013  -9.793  -4.910
    5    HA3  GLY   1           HA3      GLY   1  11.077  -8.838  -6.398
    6    H    SER   2           H        SER   2  10.572  -8.719  -3.031
    7    HA   SER   2           HA       SER   2   9.716  -5.895  -3.099
    8    HB2  SER   2           HB2      SER   2   8.368  -8.026  -1.381
    9    HB3  SER   2           HB3      SER   2   7.993  -6.297  -1.413
   10    HG   SER   2           HG       SER   2   6.517  -7.538  -2.646
   11    H    GLY   3           H        GLY   3  10.053  -4.904  -0.887
   12    HA2  GLY   3           HA2      GLY   3  11.451  -6.190   1.206
   13    HA3  GLY   3           HA3      GLY   3  12.620  -5.375   0.149
   14    H    GLN   4           H        GLN   4  12.615  -4.353   2.566
   15    HA   GLN   4           HA       GLN   4  10.611  -2.398   3.143
   16    HB2  GLN   4           HB2      GLN   4  12.357  -3.571   4.698
   17    HB3  GLN   4           HB3      GLN   4  13.490  -2.353   4.128
   18    HG2  GLN   4           HG2      GLN   4  12.590  -1.625   6.232
   19    HG3  GLN   4           HG3      GLN   4  11.938  -0.570   4.992
   20   HE21  GLN   4          HE21      GLN   4  10.311  -0.059   6.719
   21   HE22  GLN   4          HE22      GLN   4   8.928  -1.128   6.910
   22    H    VAL   5           H        VAL   5  13.488  -2.333   1.118
   23    HA   VAL   5           HA       VAL   5  13.957   0.468   1.042
   24    HB   VAL   5           HB       VAL   5  14.481  -1.473  -1.240
   25   HG11  VAL   5          HG11      VAL   5  15.966   1.023  -0.297
   26   HG12  VAL   5          HG12      VAL   5  16.401   0.007  -1.686
   27   HG13  VAL   5          HG13      VAL   5  14.894   0.925  -1.714
   28   HG21  VAL   5          HG21      VAL   5  15.424  -2.549   0.777
   29   HG22  VAL   5          HG22      VAL   5  16.694  -1.943  -0.280
   30   HG23  VAL   5          HG23      VAL   5  16.280  -1.043   1.185
   31    H    ARG   6           H        ARG   6  12.811   2.072   0.118
   32    HA   ARG   6           HA       ARG   6  11.101   1.722  -2.188
   33    HB2  ARG   6           HB2      ARG   6   8.986   2.218  -1.068
   34    HB3  ARG   6           HB3      ARG   6   9.680   0.749  -0.412
   35    HG2  ARG   6           HG2      ARG   6  10.630   2.306   1.495
   36    HG3  ARG   6           HG3      ARG   6   9.442   3.474   0.892
   37    HD2  ARG   6           HD2      ARG   6   7.688   1.649   1.116
   38    HD3  ARG   6           HD3      ARG   6   8.906   0.639   1.901
   39    HE   ARG   6           HE       ARG   6   7.405   2.848   3.004
   40   HH11  ARG   6          HH22      ARG   6  10.505   1.077   3.430
   41   HH12  ARG   6          HH21      ARG   6  10.592   1.508   5.132
   42   HH21  ARG   6          HH11      ARG   6   7.589   3.302   5.229
   43   HH22  ARG   6          HH12      ARG   6   8.949   2.744   6.151
   44    H    THR   7           H        THR   7   9.703   3.974  -2.205
   45    HA   THR   7           HA       THR   7  11.484   6.204  -1.322
   46    HB   THR   7           HB       THR   7   9.726   6.187  -3.815
   47    HG1  THR   7           HG1      THR   7  11.395   4.713  -4.103
   48   HG21  THR   7          HG21      THR   7  11.938   8.070  -2.873
   49   HG22  THR   7          HG22      THR   7  11.187   8.110  -4.484
   50   HG23  THR   7          HG23      THR   7  10.206   8.448  -3.060
   51    H    ILE   8           H        ILE   8  10.341   8.082  -0.750
   52    HA   ILE   8           HA       ILE   8   7.675   7.499   0.455
   53    HB   ILE   8           HB       ILE   8   8.387   8.543   2.458
   54   HG12  ILE   8          HG12      ILE   8  10.992   9.358   1.144
   55   HG13  ILE   8          HG13      ILE   8   9.627  10.432   1.480
   56   HG21  ILE   8          HG21      ILE   8  10.878   6.981   1.668
   57   HG22  ILE   8          HG22      ILE   8  10.111   7.071   3.254
   58   HG23  ILE   8          HG23      ILE   8   9.309   6.173   1.965
   59   HD11  ILE   8          HD11      ILE   8   9.749   9.813   3.880
   60   HD12  ILE   8          HD12      ILE   8  11.274   8.979   3.565
   61   HD13  ILE   8          HD13      ILE   8  11.156  10.723   3.285
   62    H    TRP   9           H        TRP   9   6.651   9.736   1.221
   63    HA   TRP   9           HA       TRP   9   7.385  12.004  -0.432
   64    HB2  TRP   9           HB2      TRP   9   5.603  10.260  -1.595
   65    HB3  TRP   9           HB3      TRP   9   4.507  11.381  -0.843
   66    HD1  TRP   9           HD1      TRP   9   6.569  10.842  -3.802
   67    HE1  TRP   9           HE1      TRP   9   6.588  12.858  -5.364
   68    HE3  TRP   9           HE3      TRP   9   4.872  14.398  -0.526
   69    HZ2  TRP   9           HZ2      TRP   9   5.916  15.675  -5.227
   70    HZ3  TRP   9           HZ3      TRP   9   4.718  16.772  -1.246
   71    HH2  TRP   9           HH2      TRP   9   5.180  17.407  -3.595
   72    H    VAL  10           H        VAL  10   7.912  12.422   1.881
   73    HA   VAL  10           HA       VAL  10   5.558  13.653   3.253
   74    HB   VAL  10           HB       VAL  10   6.344  13.071   5.392
   75   HG11  VAL  10          HG11      VAL  10   6.038  10.681   5.489
   76   HG12  VAL  10          HG12      VAL  10   4.985  11.332   4.220
   77   HG13  VAL  10          HG13      VAL  10   6.491  10.490   3.786
   78   HG21  VAL  10          HG21      VAL  10   8.715  13.188   5.172
   79   HG22  VAL  10          HG22      VAL  10   8.303  11.606   5.819
   80   HG23  VAL  10          HG23      VAL  10   8.758  11.776   4.101
   81    H    GLY  11           H        GLY  11   6.203  15.358   4.714
   82    HA2  GLY  11           HA2      GLY  11   8.720  16.756   4.285
   83    HA3  GLY  11           HA3      GLY  11   7.376  17.453   3.364
   84    H    GLY  12           H        GLY  12   5.357  16.821   5.463
   85    HA2  GLY  12           HA2      GLY  12   6.206  18.264   7.886
   86    HA3  GLY  12           HA3      GLY  12   5.015  19.064   6.843
   87    H    THR  13           H        THR  13   5.398  15.534   7.628
   88    HA   THR  13           HA       THR  13   2.566  15.224   8.110
   89    HB   THR  13           HB       THR  13   3.460  12.868   8.715
   90    HG1  THR  13           HG1      THR  13   5.618  12.653   7.628
   91   HG21  THR  13          HG21      THR  13   2.459  13.449   6.520
   92   HG22  THR  13          HG22      THR  13   4.043  13.997   5.938
   93   HG23  THR  13          HG23      THR  13   3.779  12.287   6.353
   94    HA   PRO  14           HA       PRO  14   2.373  15.993  12.429
   95    HB2  PRO  14           HB3      PRO  14   1.344  13.177  12.832
   96    HB3  PRO  14           HB2      PRO  14   0.694  14.719  13.470
   97    HG2  PRO  14           HG2      PRO  14  -0.466  13.527  11.328
   98    HG3  PRO  14           HG3      PRO  14  -0.213  15.303  11.342
   99    HD2  PRO  14           HD2      PRO  14   1.435  13.182   9.959
  100    HD3  PRO  14           HD3      PRO  14   0.902  14.782   9.361
  101    H    GLU  15           H        GLU  15   3.647  12.721  11.672
  102    HA   GLU  15           HA       GLU  15   6.045  13.178  13.188
  103    HB2  GLU  15           HB2      GLU  15   5.770  11.352  14.804
  104    HB3  GLU  15           HB3      GLU  15   4.559  12.595  15.044
  105    HG2  GLU  15           HG2      GLU  15   2.906  11.163  13.766
  106    HG3  GLU  15           HG3      GLU  15   4.125   9.889  13.714
  107    H    GLU  16           H        GLU  16   4.651  11.911  10.458
  108    HA   GLU  16           HA       GLU  16   5.854   9.280  10.475
  109    HB2  GLU  16           HB2      GLU  16   4.823  10.871   8.105
  110    HB3  GLU  16           HB3      GLU  16   5.299   9.171   8.106
  111    HG2  GLU  16           HG2      GLU  16   3.606   8.739   9.906
  112    HG3  GLU  16           HG3      GLU  16   3.069  10.412   9.770
  113    H    LEU  17           H        LEU  17   6.968  12.484   9.587
  114    HA   LEU  17           HA       LEU  17   9.388  11.992   8.259
  115    HB2  LEU  17           HB2      LEU  17   8.483  13.982  10.381
  116    HB3  LEU  17           HB3      LEU  17  10.132  14.015   9.787
  117    HG   LEU  17           HG       LEU  17   7.831  14.158   7.820
  118   HD11  LEU  17          HD11      LEU  17   9.087  16.464   9.371
  119   HD12  LEU  17          HD12      LEU  17   8.022  16.637   7.964
  120   HD13  LEU  17          HD13      LEU  17   7.395  15.920   9.456
  121   HD21  LEU  17          HD21      LEU  17  10.670  15.276   7.754
  122   HD22  LEU  17          HD22      LEU  17  10.158  13.763   6.992
  123   HD23  LEU  17          HD23      LEU  17   9.484  15.304   6.431
  124    H    LYS  18           H        LYS  18   8.498  11.516  11.719
  125    HA   LYS  18           HA       LYS  18  11.298  11.173  12.528
  126    HB2  LYS  18           HB2      LYS  18   8.769  10.359  14.037
  127    HB3  LYS  18           HB3      LYS  18  10.389  10.518  14.694
  128    HG2  LYS  18           HG2      LYS  18   8.637  12.790  13.657
  129    HG3  LYS  18           HG3      LYS  18   8.985  12.402  15.340
  130    HD2  LYS  18           HD2      LYS  18  11.410  12.872  14.932
  131    HD3  LYS  18           HD3      LYS  18  11.011  13.360  13.268
  132    HE2  LYS  18           HE2      LYS  18   9.492  15.113  14.139
  133    HE3  LYS  18           HE3      LYS  18   9.867  14.626  15.797
  134    HZ1  LYS  18           HZ1      LYS  18  11.173  16.534  15.122
  135    HZ2  LYS  18           HZ2      LYS  18  12.170  15.279  15.398
  136    HZ3  LYS  18           HZ3      LYS  18  11.826  15.731  13.864
  137    H    LYS  19           H        LYS  19   8.499   9.037  11.821
  138    HA   LYS  19           HA       LYS  19   9.866   6.612  12.503
  139    HB2  LYS  19           HB2      LYS  19   7.713   6.728  10.368
  140    HB3  LYS  19           HB3      LYS  19   8.067   5.439  11.508
  141    HG2  LYS  19           HG2      LYS  19   6.746   8.111  12.073
  142    HG3  LYS  19           HG3      LYS  19   5.969   6.538  12.050
  143    HD2  LYS  19           HD2      LYS  19   7.101   5.868  14.097
  144    HD3  LYS  19           HD3      LYS  19   8.106   7.341  14.085
  145    HE2  LYS  19           HE2      LYS  19   6.071   8.747  14.174
  146    HE3  LYS  19           HE3      LYS  19   5.057   7.302  14.214
  147    HZ1  LYS  19           HZ1      LYS  19   7.010   8.040  16.316
  148    HZ2  LYS  19           HZ2      LYS  19   5.389   8.286  16.371
  149    HZ3  LYS  19           HZ3      LYS  19   5.991   6.753  16.360
  150    H    LEU  20           H        LEU  20   9.412   8.327   9.381
  151    HA   LEU  20           HA       LEU  20  10.871   6.331   7.903
  152    HB2  LEU  20           HB2      LEU  20  10.080   9.173   7.149
  153    HB3  LEU  20           HB3      LEU  20  10.719   7.961   6.037
  154    HG   LEU  20           HG       LEU  20   8.086   7.743   7.579
  155   HD11  LEU  20          HD11      LEU  20   8.495   8.061   4.617
  156   HD12  LEU  20          HD12      LEU  20   6.961   8.028   5.504
  157   HD13  LEU  20          HD13      LEU  20   8.074   9.380   5.735
  158   HD21  LEU  20          HD21      LEU  20   9.327   5.834   5.552
  159   HD22  LEU  20          HD22      LEU  20   8.960   5.491   7.261
  160   HD23  LEU  20          HD23      LEU  20   7.644   5.767   6.125
  161    H    LYS  21           H        LYS  21  11.837   9.539   9.327
  162    HA   LYS  21           HA       LYS  21  14.534   9.363   8.398
  163    HB2  LYS  21           HB2      LYS  21  13.605  11.390   9.429
  164    HB3  LYS  21           HB3      LYS  21  13.438  10.557  10.979
  165    HG2  LYS  21           HG2      LYS  21  15.339  12.079  10.947
  166    HG3  LYS  21           HG3      LYS  21  15.862  10.420  11.226
  167    HD2  LYS  21           HD2      LYS  21  16.718  10.219   8.970
  168    HD3  LYS  21           HD3      LYS  21  15.948  11.753   8.483
  169    HE2  LYS  21           HE2      LYS  21  17.386  12.974  10.100
  170    HE3  LYS  21           HE3      LYS  21  18.153  11.456  10.574
  171    HZ1  LYS  21           HZ1      LYS  21  18.985  11.250   8.290
  172    HZ2  LYS  21           HZ2      LYS  21  18.276  12.664   7.868
  173    HZ3  LYS  21           HZ3      LYS  21  19.483  12.650   8.956
  174    H    GLU  22           H        GLU  22  12.980   7.858  11.314
  175    HA   GLU  22           HA       GLU  22  15.416   6.721  12.251
  176    HB2  GLU  22           HB2      GLU  22  13.475   6.884  13.691
  177    HB3  GLU  22           HB3      GLU  22  12.547   5.775  12.658
  178    HG2  GLU  22           HG2      GLU  22  14.041   3.942  13.147
  179    HG3  GLU  22           HG3      GLU  22  15.203   5.026  13.926
  180    H    GLU  23           H        GLU  23  12.956   5.383   9.931
  181    HA   GLU  23           HA       GLU  23  14.290   2.915   9.539
  182    HB2  GLU  23           HB2      GLU  23  12.469   4.551   7.733
  183    HB3  GLU  23           HB3      GLU  23  13.195   3.021   7.242
  184    HG2  GLU  23           HG2      GLU  23  12.185   1.891   9.218
  185    HG3  GLU  23           HG3      GLU  23  11.295   3.380   9.567
  186    H    ALA  24           H        ALA  24  14.922   6.113   8.013
  187    HA   ALA  24           HA       ALA  24  16.834   5.188   6.125
  188    HB1  ALA  24           HB1      ALA  24  17.598   7.468   6.020
  189    HB2  ALA  24           HB2      ALA  24  15.840   7.507   6.257
  190    HB3  ALA  24           HB3      ALA  24  16.928   7.842   7.617
  191    H    LYS  25           H        LYS  25  17.050   5.479   9.602
  192    HA   LYS  25           HA       LYS  25  20.013   5.178   9.578
  193    HB2  LYS  25           HB2      LYS  25  18.036   5.935  11.771
  194    HB3  LYS  25           HB3      LYS  25  19.781   5.775  11.991
  195    HG2  LYS  25           HG2      LYS  25  20.228   7.620  10.471
  196    HG3  LYS  25           HG3      LYS  25  18.537   7.715   9.985
  197    HD2  LYS  25           HD2      LYS  25  18.998   9.513  11.496
  198    HD3  LYS  25           HD3      LYS  25  17.877   8.383  12.265
  199    HE2  LYS  25           HE2      LYS  25  19.766   7.381  13.547
  200    HE3  LYS  25           HE3      LYS  25  20.897   8.477  12.746
  201    HZ1  LYS  25           HZ1      LYS  25  18.694   9.322  14.543
  202    HZ2  LYS  25           HZ2      LYS  25  20.273   9.279  14.932
  203    HZ3  LYS  25           HZ3      LYS  25  19.752  10.333  13.809
  204    H    LYS  26           H        LYS  26  17.041   3.400  10.265
  205    HA   LYS  26           HA       LYS  26  18.608   1.312  11.730
  206    HB2  LYS  26           HB2      LYS  26  15.622   1.885  11.578
  207    HB3  LYS  26           HB3      LYS  26  16.330   0.537  12.457
  208    HG2  LYS  26           HG2      LYS  26  16.855   3.475  13.072
  209    HG3  LYS  26           HG3      LYS  26  15.707   2.418  13.904
  210    HD2  LYS  26           HD2      LYS  26  17.599   0.952  14.625
  211    HD3  LYS  26           HD3      LYS  26  18.726   2.059  13.832
  212    HE2  LYS  26           HE2      LYS  26  18.737   2.591  16.151
  213    HE3  LYS  26           HE3      LYS  26  17.941   3.917  15.303
  214    HZ1  LYS  26           HZ1      LYS  26  16.835   3.202  17.375
  215    HZ2  LYS  26           HZ2      LYS  26  15.815   3.135  16.114
  216    HZ3  LYS  26           HZ3      LYS  26  16.484   1.755  16.721
  217    H    ALA  27           H        ALA  27  16.916   1.798   8.708
  218    HA   ALA  27           HA       ALA  27  17.439  -1.048   8.002
  219    HB1  ALA  27           HB1      ALA  27  15.051   0.676   7.200
  220    HB2  ALA  27           HB2      ALA  27  15.368  -0.991   6.671
  221    HB3  ALA  27           HB3      ALA  27  15.023  -0.657   8.376
  222    H    ASN  28           H        ASN  28  18.373   2.093   7.454
  223    HA   ASN  28           HA       ASN  28  19.651   3.130   5.956
  224    HB2  ASN  28           HB2      ASN  28  20.820   0.840   6.013
  225    HB3  ASN  28           HB3      ASN  28  19.989   0.521   4.476
  226   HD21  ASN  28          HD21      ASN  28  21.922   3.256   5.951
  227   HD22  ASN  28          HD22      ASN  28  22.896   3.507   4.530
  228    H    ILE  29           H        ILE  29  16.648   2.244   5.180
  229    HA   ILE  29           HA       ILE  29  16.675   2.142   2.361
  230    HB   ILE  29           HB       ILE  29  14.240   2.433   2.526
  231   HG12  ILE  29          HG12      ILE  29  13.068   2.339   4.658
  232   HG13  ILE  29          HG13      ILE  29  14.575   2.444   5.562
  233   HG21  ILE  29          HG21      ILE  29  15.424   0.239   2.803
  234   HG22  ILE  29          HG22      ILE  29  15.394   0.465   4.552
  235   HG23  ILE  29          HG23      ILE  29  13.878   0.302   3.666
  236   HD11  ILE  29          HD11      ILE  29  13.606   4.686   3.773
  237   HD12  ILE  29          HD12      ILE  29  13.134   4.538   5.468
  238   HD13  ILE  29          HD13      ILE  29  14.836   4.738   5.077
  239    H    ARG  30           H        ARG  30  15.682   3.640   0.801
  240    HA   ARG  30           HA       ARG  30  16.942   6.246   0.996
  241    HB2  ARG  30           HB2      ARG  30  14.896   5.146  -0.992
  242    HB3  ARG  30           HB3      ARG  30  15.716   6.702  -1.138
  243    HG2  ARG  30           HG2      ARG  30  17.918   5.529  -1.224
  244    HG3  ARG  30           HG3      ARG  30  17.075   3.970  -1.156
  245    HD2  ARG  30           HD2      ARG  30  15.844   4.549  -3.236
  246    HD3  ARG  30           HD3      ARG  30  16.703   6.084  -3.331
  247    HE   ARG  30           HE       ARG  30  17.700   3.392  -3.933
  248   HH11  ARG  30          HH22      ARG  30  18.650   6.769  -3.366
  249   HH12  ARG  30          HH21      ARG  30  20.183   6.615  -4.140
  250   HH21  ARG  30          HH11      ARG  30  19.741   3.189  -4.962
  251   HH22  ARG  30          HH12      ARG  30  20.812   4.533  -5.068
  252    H    VAL  31           H        VAL  31  16.018   8.227   1.381
  253    HA   VAL  31           HA       VAL  31  13.120   8.425   1.844
  254    HB   VAL  31           HB       VAL  31  13.477   9.800   3.868
  255   HG11  VAL  31          HG11      VAL  31  14.568   6.995   4.279
  256   HG12  VAL  31          HG12      VAL  31  13.664   7.990   5.432
  257   HG13  VAL  31          HG13      VAL  31  12.857   7.352   3.998
  258   HG21  VAL  31          HG21      VAL  31  15.864  10.411   3.595
  259   HG22  VAL  31          HG22      VAL  31  15.539   9.684   5.170
  260   HG23  VAL  31          HG23      VAL  31  16.332   8.724   3.906
  261    H    THR  32           H        THR  32  12.335  10.506   1.497
  262    HA   THR  32           HA       THR  32  14.168  12.571   0.434
  263    HB   THR  32           HB       THR  32  11.757  11.568  -1.139
  264    HG1  THR  32           HG1      THR  32  14.452  10.774  -1.320
  265   HG21  THR  32          HG21      THR  32  14.136  13.303  -1.950
  266   HG22  THR  32          HG22      THR  32  12.818  12.773  -3.021
  267   HG23  THR  32          HG23      THR  32  12.470  13.866  -1.675
  268    H    PHE  33           H        PHE  33  13.435  14.571   1.075
  269    HA   PHE  33           HA       PHE  33  10.796  14.644   2.469
  270    HB2  PHE  33           HB2      PHE  33  13.429  15.873   3.348
  271    HB3  PHE  33           HB3      PHE  33  11.882  16.029   4.170
  272    HD1  PHE  33           HD1      PHE  33  10.738  13.420   4.364
  273    HD2  PHE  33           HD2      PHE  33  14.902  14.500   4.584
  274    HE1  PHE  33           HE1      PHE  33  11.173  11.442   5.799
  275    HE2  PHE  33           HE2      PHE  33  15.340  12.501   5.985
  276    HZ   PHE  33           HZ       PHE  33  13.468  10.983   6.621
  277    H    TRP  34           H        TRP  34   9.489  15.977   1.466
  278    HA   TRP  34           HA       TRP  34  10.461  18.085  -0.329
  279    HB2  TRP  34           HB2      TRP  34   7.767  16.903   0.409
  280    HB3  TRP  34           HB3      TRP  34   7.850  18.457  -0.401
  281    HD1  TRP  34           HD1      TRP  34   8.199  18.513  -2.900
  282    HE1  TRP  34           HE1      TRP  34   8.779  16.866  -4.760
  283    HE3  TRP  34           HE3      TRP  34   8.943  14.312  -0.051
  284    HZ2  TRP  34           HZ2      TRP  34   9.573  14.082  -4.983
  285    HZ3  TRP  34           HZ3      TRP  34   9.626  12.201  -1.111
  286    HH2  TRP  34           HH2      TRP  34   9.946  12.059  -3.569
  287    H    GLY  35           H        GLY  35   9.781  20.308  -0.125
  288    HA2  GLY  35           HA2      GLY  35   9.736  21.383   2.617
  289    HA3  GLY  35           HA3      GLY  35   9.817  22.292   1.097
  290    H    ASP  36           H        ASP  36   7.577  19.795   2.369
  291    HA   ASP  36           HA       ASP  36   5.288  20.693   0.984
  292    HB2  ASP  36           HB2      ASP  36   5.424  18.434   1.827
  293    HB3  ASP  36           HB3      ASP  36   5.537  19.013   3.494
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  14.816  -8.430  -5.272
    2    H2   GLY   1           H2       GLY   1  13.222  -8.762  -5.075
    3    H3   GLY   1           H3       GLY   1  14.344  -9.572  -4.197
    4    HA2  GLY   1           HA2      GLY   1  13.762  -6.697  -3.985
    5    HA3  GLY   1           HA3      GLY   1  13.246  -7.936  -2.831
    6    H    SER   2           H        SER   2  15.680  -5.656  -3.541
    7    HA   SER   2           HA       SER   2  18.009  -6.934  -2.497
    8    HB2  SER   2           HB2      SER   2  18.679  -4.432  -2.278
    9    HB3  SER   2           HB3      SER   2  18.356  -5.096  -3.886
   10    HG   SER   2           HG       SER   2  17.319  -3.090  -3.580
   11    H    GLY   3           H        GLY   3  15.275  -5.259  -0.968
   12    HA2  GLY   3           HA2      GLY   3  15.640  -6.251   1.618
   13    HA3  GLY   3           HA3      GLY   3  16.463  -4.679   1.544
   14    H    GLN   4           H        GLN   4  14.659  -4.239   3.160
   15    HA   GLN   4           HA       GLN   4  11.948  -3.922   2.272
   16    HB2  GLN   4           HB2      GLN   4  11.633  -2.864   4.460
   17    HB3  GLN   4           HB3      GLN   4  12.489  -4.383   4.593
   18    HG2  GLN   4           HG2      GLN   4  14.526  -3.368   5.189
   19    HG3  GLN   4           HG3      GLN   4  14.106  -1.830   4.457
   20   HE21  GLN   4          HE21      GLN   4  13.285  -0.212   5.776
   21   HE22  GLN   4          HE22      GLN   4  12.698  -0.444   7.405
   22    H    VAL   5           H        VAL   5  13.858  -2.503   0.526
   23    HA   VAL   5           HA       VAL   5  13.992   0.293   1.099
   24    HB   VAL   5           HB       VAL   5  14.237  -0.966  -1.646
   25   HG11  VAL   5          HG11      VAL   5  15.598   1.448  -0.369
   26   HG12  VAL   5          HG12      VAL   5  15.926   0.815  -1.992
   27   HG13  VAL   5          HG13      VAL   5  14.344   1.489  -1.635
   28   HG21  VAL   5          HG21      VAL   5  16.365  -0.892   0.544
   29   HG22  VAL   5          HG22      VAL   5  15.681  -2.343  -0.229
   30   HG23  VAL   5          HG23      VAL   5  16.681  -1.248  -1.165
   31    H    ARG   6           H        ARG   6  12.955   2.013   0.154
   32    HA   ARG   6           HA       ARG   6  10.352   1.685  -1.140
   33    HB2  ARG   6           HB2      ARG   6   9.145   2.801   0.694
   34    HB3  ARG   6           HB3      ARG   6   9.877   1.310   1.252
   35    HG2  ARG   6           HG2      ARG   6  11.872   2.908   2.055
   36    HG3  ARG   6           HG3      ARG   6  10.673   4.185   1.862
   37    HD2  ARG   6           HD2      ARG   6  10.718   3.422   4.168
   38    HD3  ARG   6           HD3      ARG   6   9.169   2.961   3.432
   39    HE   ARG   6           HE       ARG   6  11.115   0.853   3.137
   40   HH11  ARG   6          HH22      ARG   6   8.983   2.272   5.610
   41   HH12  ARG   6          HH21      ARG   6   8.736   0.775   6.429
   42   HH21  ARG   6          HH11      ARG   6  10.780  -1.059   4.151
   43   HH22  ARG   6          HH12      ARG   6   9.809  -1.195   5.591
   44    H    THR   7           H        THR   7   9.392   4.016  -1.283
   45    HA   THR   7           HA       THR   7  11.370   6.180  -1.213
   46    HB   THR   7           HB       THR   7   9.502   5.868  -3.601
   47    HG1  THR   7           HG1      THR   7  10.845   4.100  -3.694
   48   HG21  THR   7          HG21      THR   7  10.422   8.105  -3.276
   49   HG22  THR   7          HG22      THR   7  12.074   7.451  -3.165
   50   HG23  THR   7          HG23      THR   7  11.168   7.355  -4.692
   51    H    ILE   8           H        ILE   8  10.323   8.145  -0.812
   52    HA   ILE   8           HA       ILE   8   7.544   7.851   0.241
   53    HB   ILE   8           HB       ILE   8   8.126   8.764   2.303
   54   HG12  ILE   8          HG12      ILE   8  10.867   9.571   1.313
   55   HG13  ILE   8          HG13      ILE   8   9.485  10.663   1.453
   56   HG21  ILE   8          HG21      ILE   8   9.084   6.406   1.886
   57   HG22  ILE   8          HG22      ILE   8  10.677   7.207   1.716
   58   HG23  ILE   8          HG23      ILE   8   9.788   7.288   3.235
   59   HD11  ILE   8          HD11      ILE   8   9.255  10.156   3.827
   60   HD12  ILE   8          HD12      ILE   8  10.743   9.197   3.791
   61   HD13  ILE   8          HD13      ILE   8  10.807  10.928   3.448
   62    H    TRP   9           H        TRP   9   6.448   9.964   0.609
   63    HA   TRP   9           HA       TRP   9   7.555  12.280  -0.787
   64    HB2  TRP   9           HB2      TRP   9   5.989  10.539  -2.262
   65    HB3  TRP   9           HB3      TRP   9   4.795  11.685  -1.726
   66    HD1  TRP   9           HD1      TRP   9   7.455  11.096  -4.193
   67    HE1  TRP   9           HE1      TRP   9   7.788  13.084  -5.761
   68    HE3  TRP   9           HE3      TRP   9   4.978  14.681  -1.489
   69    HZ2  TRP   9           HZ2      TRP   9   7.085  15.899  -5.825
   70    HZ3  TRP   9           HZ3      TRP   9   4.964  17.023  -2.245
   71    HH2  TRP   9           HH2      TRP   9   5.968  17.645  -4.439
   72    H    VAL  10           H        VAL  10   7.269  11.906   1.937
   73    HA   VAL  10           HA       VAL  10   4.706  12.906   2.871
   74    HB   VAL  10           HB       VAL  10   5.827  13.150   5.044
   75   HG11  VAL  10          HG11      VAL  10   6.400  10.454   3.738
   76   HG12  VAL  10          HG12      VAL  10   6.145  10.785   5.458
   77   HG13  VAL  10          HG13      VAL  10   4.811  10.998   4.324
   78   HG21  VAL  10          HG21      VAL  10   8.090  13.749   4.516
   79   HG22  VAL  10          HG22      VAL  10   8.116  12.207   5.382
   80   HG23  VAL  10          HG23      VAL  10   8.360  12.245   3.621
   81    H    GLY  11           H        GLY  11   4.049  14.979   3.036
   82    HA2  GLY  11           HA2      GLY  11   5.526  17.178   1.950
   83    HA3  GLY  11           HA3      GLY  11   4.067  17.267   2.960
   84    H    GLY  12           H        GLY  12   4.705  16.278   5.372
   85    HA2  GLY  12           HA2      GLY  12   7.191  16.433   6.499
   86    HA3  GLY  12           HA3      GLY  12   6.692  18.129   6.440
   87    H    THR  13           H        THR  13   4.740  15.101   7.182
   88    HA   THR  13           HA       THR  13   3.388  16.372   9.376
   89    HB   THR  13           HB       THR  13   3.643  13.409   8.784
   90    HG1  THR  13           HG1      THR  13   2.402  13.478   7.170
   91   HG21  THR  13          HG21      THR  13   1.304  13.330   9.577
   92   HG22  THR  13          HG22      THR  13   2.353  14.052  10.805
   93   HG23  THR  13          HG23      THR  13   1.311  15.094   9.813
   94    HA   PRO  14           HA       PRO  14   7.071  15.815  11.935
   95    HB2  PRO  14           HB3      PRO  14   5.032  15.732  14.170
   96    HB3  PRO  14           HB2      PRO  14   6.599  16.601  14.107
   97    HG2  PRO  14           HG2      PRO  14   4.286  17.938  13.653
   98    HG3  PRO  14           HG3      PRO  14   5.713  18.240  12.608
   99    HD2  PRO  14           HD2      PRO  14   3.284  16.539  12.028
  100    HD3  PRO  14           HD3      PRO  14   4.172  17.664  10.956
  101    H    GLU  15           H        GLU  15   4.212  13.723  12.281
  102    HA   GLU  15           HA       GLU  15   5.588  11.751  13.903
  103    HB2  GLU  15           HB2      GLU  15   2.922  11.746  12.434
  104    HB3  GLU  15           HB3      GLU  15   3.495  10.375  13.384
  105    HG2  GLU  15           HG2      GLU  15   3.110  13.179  14.529
  106    HG3  GLU  15           HG3      GLU  15   1.895  11.910  14.577
  107    H    GLU  16           H        GLU  16   4.941  12.243  10.445
  108    HA   GLU  16           HA       GLU  16   5.816   9.525   9.754
  109    HB2  GLU  16           HB2      GLU  16   5.205  11.897   7.939
  110    HB3  GLU  16           HB3      GLU  16   5.438  10.201   7.464
  111    HG2  GLU  16           HG2      GLU  16   3.514   9.549   8.894
  112    HG3  GLU  16           HG3      GLU  16   3.226  11.243   9.270
  113    H    LEU  17           H        LEU  17   7.098  12.858   9.755
  114    HA   LEU  17           HA       LEU  17   9.648  12.310   8.591
  115    HB2  LEU  17           HB2      LEU  17   8.804  14.261  10.784
  116    HB3  LEU  17           HB3      LEU  17  10.407  14.229  10.065
  117    HG   LEU  17           HG       LEU  17   7.843  14.806   8.521
  118   HD11  LEU  17          HD11      LEU  17   8.671  17.141   8.478
  119   HD12  LEU  17          HD12      LEU  17   8.376  16.593  10.132
  120   HD13  LEU  17          HD13      LEU  17  10.039  16.676   9.511
  121   HD21  LEU  17          HD21      LEU  17   9.455  13.869   7.034
  122   HD22  LEU  17          HD22      LEU  17   9.403  15.608   6.751
  123   HD23  LEU  17          HD23      LEU  17  10.754  14.908   7.673
  124    H    LYS  18           H        LYS  18   8.317  11.864  11.909
  125    HA   LYS  18           HA       LYS  18  10.881  11.077  13.029
  126    HB2  LYS  18           HB2      LYS  18   8.002  10.801  13.945
  127    HB3  LYS  18           HB3      LYS  18   9.314  10.009  14.822
  128    HG2  LYS  18           HG2      LYS  18  10.351  12.043  15.419
  129    HG3  LYS  18           HG3      LYS  18   9.495  12.967  14.187
  130    HD2  LYS  18           HD2      LYS  18   8.610  13.485  16.400
  131    HD3  LYS  18           HD3      LYS  18   7.379  12.729  15.386
  132    HE2  LYS  18           HE2      LYS  18   7.870  10.527  16.520
  133    HE3  LYS  18           HE3      LYS  18   8.978  11.380  17.606
  134    HZ1  LYS  18           HZ1      LYS  18   6.072  11.927  17.314
  135    HZ2  LYS  18           HZ2      LYS  18   6.766  11.123  18.566
  136    HZ3  LYS  18           HZ3      LYS  18   7.081  12.709  18.353
  137    H    LYS  19           H        LYS  19   7.997   9.093  12.047
  138    HA   LYS  19           HA       LYS  19   9.324   6.631  12.561
  139    HB2  LYS  19           HB2      LYS  19   7.030   7.298  10.660
  140    HB3  LYS  19           HB3      LYS  19   7.556   5.656  11.008
  141    HG2  LYS  19           HG2      LYS  19   6.519   7.603  13.118
  142    HG3  LYS  19           HG3      LYS  19   5.553   6.375  12.300
  143    HD2  LYS  19           HD2      LYS  19   7.055   4.601  13.225
  144    HD3  LYS  19           HD3      LYS  19   7.947   5.855  14.119
  145    HE2  LYS  19           HE2      LYS  19   5.858   6.519  15.279
  146    HE3  LYS  19           HE3      LYS  19   4.964   5.279  14.391
  147    HZ1  LYS  19           HZ1      LYS  19   7.164   4.745  16.304
  148    HZ2  LYS  19           HZ2      LYS  19   5.578   4.515  16.591
  149    HZ3  LYS  19           HZ3      LYS  19   6.337   3.600  15.479
  150    H    LEU  20           H        LEU  20   9.099   8.485   9.467
  151    HA   LEU  20           HA       LEU  20  10.457   6.358   8.051
  152    HB2  LEU  20           HB2      LEU  20   9.911   9.226   7.214
  153    HB3  LEU  20           HB3      LEU  20  10.484   7.938   6.156
  154    HG   LEU  20           HG       LEU  20   7.785   7.955   7.605
  155   HD11  LEU  20          HD11      LEU  20   6.767   8.361   5.519
  156   HD12  LEU  20          HD12      LEU  20   8.015   9.593   5.778
  157   HD13  LEU  20          HD13      LEU  20   8.311   8.239   4.658
  158   HD21  LEU  20          HD21      LEU  20   8.513   5.635   7.313
  159   HD22  LEU  20          HD22      LEU  20   7.248   6.008   6.145
  160   HD23  LEU  20          HD23      LEU  20   8.943   5.953   5.615
  161    H    LYS  21           H        LYS  21  11.600   9.445   9.596
  162    HA   LYS  21           HA       LYS  21  14.305   9.078   8.690
  163    HB2  LYS  21           HB2      LYS  21  13.532  11.171   9.723
  164    HB3  LYS  21           HB3      LYS  21  13.246  10.337  11.256
  165    HG2  LYS  21           HG2      LYS  21  15.284  11.700  11.259
  166    HG3  LYS  21           HG3      LYS  21  15.610  10.004  11.607
  167    HD2  LYS  21           HD2      LYS  21  16.551   9.635   9.424
  168    HD3  LYS  21           HD3      LYS  21  15.952  11.205   8.827
  169    HE2  LYS  21           HE2      LYS  21  17.436  12.360  10.467
  170    HE3  LYS  21           HE3      LYS  21  18.035  10.795  11.027
  171    HZ1  LYS  21           HZ1      LYS  21  18.933  10.421   8.794
  172    HZ2  LYS  21           HZ2      LYS  21  18.376  11.873   8.285
  173    HZ3  LYS  21           HZ3      LYS  21  19.532  11.797   9.425
  174    H    GLU  22           H        GLU  22  12.498   7.708  11.515
  175    HA   GLU  22           HA       GLU  22  14.763   6.401  12.581
  176    HB2  GLU  22           HB2      GLU  22  12.567   6.774  13.754
  177    HB3  GLU  22           HB3      GLU  22  11.871   5.480  12.781
  178    HG2  GLU  22           HG2      GLU  22  12.498   4.650  14.974
  179    HG3  GLU  22           HG3      GLU  22  13.458   3.864  13.728
  180    H    GLU  23           H        GLU  23  12.441   5.277  10.043
  181    HA   GLU  23           HA       GLU  23  13.728   2.734   9.675
  182    HB2  GLU  23           HB2      GLU  23  12.111   4.481   7.765
  183    HB3  GLU  23           HB3      GLU  23  12.719   2.887   7.343
  184    HG2  GLU  23           HG2      GLU  23  10.754   3.497   9.579
  185    HG3  GLU  23           HG3      GLU  23  10.389   2.747   8.028
  186    H    ALA  24           H        ALA  24  14.424   5.954   8.220
  187    HA   ALA  24           HA       ALA  24  16.468   4.983   6.478
  188    HB1  ALA  24           HB1      ALA  24  16.220   7.746   7.748
  189    HB2  ALA  24           HB2      ALA  24  17.114   7.322   6.275
  190    HB3  ALA  24           HB3      ALA  24  15.343   7.204   6.301
  191    H    LYS  25           H        LYS  25  16.500   5.663   9.929
  192    HA   LYS  25           HA       LYS  25  19.439   5.453  10.143
  193    HB2  LYS  25           HB2      LYS  25  17.179   5.554  12.184
  194    HB3  LYS  25           HB3      LYS  25  18.884   5.424  12.615
  195    HG2  LYS  25           HG2      LYS  25  19.403   7.595  11.839
  196    HG3  LYS  25           HG3      LYS  25  17.960   7.701  10.832
  197    HD2  LYS  25           HD2      LYS  25  17.688   9.135  12.763
  198    HD3  LYS  25           HD3      LYS  25  16.516   7.820  12.796
  199    HE2  LYS  25           HE2      LYS  25  18.185   6.584  14.354
  200    HE3  LYS  25           HE3      LYS  25  19.041   8.126  14.479
  201    HZ1  LYS  25           HZ1      LYS  25  17.488   7.874  16.278
  202    HZ2  LYS  25           HZ2      LYS  25  16.914   9.068  15.326
  203    HZ3  LYS  25           HZ3      LYS  25  16.237   7.559  15.274
  204    H    LYS  26           H        LYS  26  16.531   3.405  10.604
  205    HA   LYS  26           HA       LYS  26  17.895   1.264  11.942
  206    HB2  LYS  26           HB2      LYS  26  15.462   1.762  12.062
  207    HB3  LYS  26           HB3      LYS  26  15.284   1.289  10.365
  208    HG2  LYS  26           HG2      LYS  26  16.055  -1.021  10.975
  209    HG3  LYS  26           HG3      LYS  26  16.104  -0.528  12.675
  210    HD2  LYS  26           HD2      LYS  26  13.645  -0.462  10.865
  211    HD3  LYS  26           HD3      LYS  26  14.017  -1.753  12.013
  212    HE2  LYS  26           HE2      LYS  26  13.797  -0.254  13.909
  213    HE3  LYS  26           HE3      LYS  26  13.653   1.156  12.849
  214    HZ1  LYS  26           HZ1      LYS  26  11.582   0.337  12.026
  215    HZ2  LYS  26           HZ2      LYS  26  11.679  -1.041  12.930
  216    HZ3  LYS  26           HZ3      LYS  26  11.502   0.408  13.661
  217    H    ALA  27           H        ALA  27  17.006   1.858   8.528
  218    HA   ALA  27           HA       ALA  27  18.726  -0.420   7.656
  219    HB1  ALA  27           HB1      ALA  27  16.361  -1.135   7.705
  220    HB2  ALA  27           HB2      ALA  27  15.893   0.288   6.753
  221    HB3  ALA  27           HB3      ALA  27  16.919  -0.978   6.031
  222    H    ASN  28           H        ASN  28  19.186  -0.256   5.295
  223    HA   ASN  28           HA       ASN  28  20.390   2.272   4.724
  224    HB2  ASN  28           HB2      ASN  28  21.253  -0.048   4.151
  225    HB3  ASN  28           HB3      ASN  28  19.997  -0.144   2.906
  226   HD21  ASN  28          HD21      ASN  28  22.602   2.196   3.966
  227   HD22  ASN  28          HD22      ASN  28  23.154   2.524   2.348
  228    H    ILE  29           H        ILE  29  17.218   1.907   4.574
  229    HA   ILE  29           HA       ILE  29  16.538   2.191   1.821
  230    HB   ILE  29           HB       ILE  29  14.272   2.490   2.595
  231   HG12  ILE  29          HG12      ILE  29  13.737   2.184   5.064
  232   HG13  ILE  29          HG13      ILE  29  15.392   2.647   5.443
  233   HG21  ILE  29          HG21      ILE  29  14.029   0.334   3.579
  234   HG22  ILE  29          HG22      ILE  29  15.509   0.233   2.604
  235   HG23  ILE  29          HG23      ILE  29  15.621   0.390   4.352
  236   HD11  ILE  29          HD11      ILE  29  13.384   4.411   3.973
  237   HD12  ILE  29          HD12      ILE  29  13.683   4.447   5.722
  238   HD13  ILE  29          HD13      ILE  29  14.972   4.903   4.623
  239    H    ARG  30           H        ARG  30  15.464   4.017   0.774
  240    HA   ARG  30           HA       ARG  30  16.838   6.545   1.508
  241    HB2  ARG  30           HB2      ARG  30  16.241   7.352  -0.678
  242    HB3  ARG  30           HB3      ARG  30  17.093   5.816  -0.792
  243    HG2  ARG  30           HG2      ARG  30  14.969   4.643  -1.255
  244    HG3  ARG  30           HG3      ARG  30  14.072   6.177  -1.091
  245    HD2  ARG  30           HD2      ARG  30  15.403   7.128  -2.955
  246    HD3  ARG  30           HD3      ARG  30  16.257   5.578  -3.122
  247    HE   ARG  30           HE       ARG  30  13.383   5.268  -3.327
  248   HH11  ARG  30          HH22      ARG  30  16.266   6.229  -5.190
  249   HH12  ARG  30          HH21      ARG  30  15.531   5.944  -6.722
  250   HH21  ARG  30          HH12      ARG  30  12.411   4.981  -5.306
  251   HH22  ARG  30          HH11      ARG  30  13.276   5.170  -6.809
  252    H    VAL  31           H        VAL  31  15.768   8.494   1.668
  253    HA   VAL  31           HA       VAL  31  12.847   8.600   1.902
  254    HB   VAL  31           HB       VAL  31  13.020   9.855   4.054
  255   HG11  VAL  31          HG11      VAL  31  13.988   6.992   4.347
  256   HG12  VAL  31          HG12      VAL  31  13.050   7.935   5.514
  257   HG13  VAL  31          HG13      VAL  31  12.318   7.445   3.980
  258   HG21  VAL  31          HG21      VAL  31  15.426  10.425   4.055
  259   HG22  VAL  31          HG22      VAL  31  14.952   9.581   5.532
  260   HG23  VAL  31          HG23      VAL  31  15.841   8.711   4.269
  261    H    THR  32           H        THR  32  12.101  10.769   1.748
  262    HA   THR  32           HA       THR  32  14.043  12.932   1.299
  263    HB   THR  32           HB       THR  32  12.001  12.185  -0.845
  264    HG1  THR  32           HG1      THR  32  14.513  11.330  -0.422
  265   HG21  THR  32          HG21      THR  32  14.184  14.321  -0.824
  266   HG22  THR  32          HG22      THR  32  13.168  13.892  -2.219
  267   HG23  THR  32          HG23      THR  32  12.430  14.609  -0.784
  268    H    PHE  33           H        PHE  33  13.195  14.829   2.075
  269    HA   PHE  33           HA       PHE  33  10.396  14.716   3.124
  270    HB2  PHE  33           HB2      PHE  33  12.862  15.982   4.382
  271    HB3  PHE  33           HB3      PHE  33  11.256  15.883   5.079
  272    HD1  PHE  33           HD2      PHE  33  10.370  13.195   4.962
  273    HD2  PHE  33           HD1      PHE  33  14.414  14.593   5.459
  274    HE1  PHE  33           HE2      PHE  33  10.920  11.142   6.225
  275    HE2  PHE  33           HE1      PHE  33  14.983  12.501   6.663
  276    HZ   PHE  33           HZ       PHE  33  13.238  10.782   7.077
  277    H    TRP  34           H        TRP  34   9.193  16.149   1.956
  278    HA   TRP  34           HA       TRP  34  10.500  18.073   0.302
  279    HB2  TRP  34           HB2      TRP  34   7.718  17.108   0.739
  280    HB3  TRP  34           HB3      TRP  34   7.856  18.764   0.162
  281    HD1  TRP  34           HD1      TRP  34   8.570  19.201  -2.197
  282    HE1  TRP  34           HE1      TRP  34   9.370  17.851  -4.224
  283    HE3  TRP  34           HE3      TRP  34   8.888  14.577  -0.001
  284    HZ2  TRP  34           HZ2      TRP  34  10.259  15.137  -4.755
  285    HZ3  TRP  34           HZ3      TRP  34   9.790  12.662  -1.266
  286    HH2  TRP  34           HH2      TRP  34  10.484  12.922  -3.634
  287    H    GLY  35           H        GLY  35   8.834  18.436   3.390
  288    HA2  GLY  35           HA2      GLY  35   8.805  20.200   4.881
  289    HA3  GLY  35           HA3      GLY  35  10.015  21.061   3.905
  290    H    ASP  36           H        ASP  36   6.846  19.696   2.985
  291    HA   ASP  36           HA       ASP  36   6.123  21.760   1.189
  292    HB2  ASP  36           HB2      ASP  36   5.127  19.573   1.019
  293    HB3  ASP  36           HB3      ASP  36   4.437  19.702   2.643
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  15.309 -12.436  -0.274
    2    H2   GLY   1           H2       GLY   1  16.679 -11.895   0.448
    3    H3   GLY   1           H3       GLY   1  16.682 -12.245  -1.151
    4    HA2  GLY   1           HA2      GLY   1  15.151 -10.453  -1.611
    5    HA3  GLY   1           HA3      GLY   1  15.141 -10.085   0.119
    6    H    SER   2           H        SER   2  16.626  -9.366  -2.865
    7    HA   SER   2           HA       SER   2  19.287  -8.852  -2.161
    8    HB2  SER   2           HB2      SER   2  17.621  -7.367  -4.224
    9    HB3  SER   2           HB3      SER   2  19.370  -7.657  -4.248
   10    HG   SER   2           HG       SER   2  18.225  -9.110  -5.605
   11    H    GLY   3           H        GLY   3  16.404  -6.919  -1.463
   12    HA2  GLY   3           HA2      GLY   3  17.715  -5.206   0.361
   13    HA3  GLY   3           HA3      GLY   3  17.498  -4.349  -1.177
   14    H    GLN   4           H        GLN   4  16.144  -3.166   0.670
   15    HA   GLN   4           HA       GLN   4  13.307  -3.943   0.287
   16    HB2  GLN   4           HB2      GLN   4  12.831  -3.629   2.656
   17    HB3  GLN   4           HB3      GLN   4  14.009  -4.912   2.422
   18    HG2  GLN   4           HG2      GLN   4  15.846  -3.381   3.096
   19    HG3  GLN   4           HG3      GLN   4  14.687  -2.064   3.292
   20   HE21  GLN   4          HE21      GLN   4  13.168  -2.127   5.086
   21   HE22  GLN   4          HE22      GLN   4  13.443  -3.187   6.445
   22    H    VAL   5           H        VAL   5  15.202  -1.776  -0.776
   23    HA   VAL   5           HA       VAL   5  14.577   0.703   0.470
   24    HB   VAL   5           HB       VAL   5  15.386   0.239  -2.426
   25   HG11  VAL   5          HG11      VAL   5  15.747   2.640  -0.577
   26   HG12  VAL   5          HG12      VAL   5  16.415   2.490  -2.215
   27   HG13  VAL   5          HG13      VAL   5  14.669   2.557  -1.992
   28   HG21  VAL   5          HG21      VAL   5  17.724   0.598  -1.625
   29   HG22  VAL   5          HG22      VAL   5  17.149   0.545   0.052
   30   HG23  VAL   5          HG23      VAL   5  17.036  -0.890  -0.990
   31    H    ARG   6           H        ARG   6  13.038   2.231   0.099
   32    HA   ARG   6           HA       ARG   6  10.993   1.870  -1.952
   33    HB2  ARG   6           HB2      ARG   6   9.127   1.965  -0.435
   34    HB3  ARG   6           HB3      ARG   6  10.138   0.608   0.046
   35    HG2  ARG   6           HG2      ARG   6  11.139   2.105   1.863
   36    HG3  ARG   6           HG3      ARG   6   9.936   3.332   1.412
   37    HD2  ARG   6           HD2      ARG   6   8.148   1.538   1.811
   38    HD3  ARG   6           HD3      ARG   6   9.425   0.535   2.489
   39    HE   ARG   6           HE       ARG   6   9.712   2.033   4.311
   40   HH11  ARG   6          HH11      ARG   6   7.030   3.092   2.212
   41   HH12  ARG   6          HH12      ARG   6   6.229   3.972   3.459
   42   HH21  ARG   6          HH22      ARG   6   8.619   3.109   5.964
   43   HH22  ARG   6          HH21      ARG   6   7.160   3.997   5.641
   44    H    THR   7           H        THR   7   9.598   3.929  -1.924
   45    HA   THR   7           HA       THR   7  11.091   6.299  -0.909
   46    HB   THR   7           HB       THR   7   9.695   6.166  -3.623
   47    HG1  THR   7           HG1      THR   7  11.314   4.789  -3.939
   48   HG21  THR   7          HG21      THR   7  11.238   8.066  -4.144
   49   HG22  THR   7          HG22      THR   7  10.089   8.440  -2.859
   50   HG23  THR   7          HG23      THR   7  11.781   8.063  -2.451
   51    H    ILE   8           H        ILE   8   9.758   8.102  -0.550
   52    HA   ILE   8           HA       ILE   8   6.904   7.441   0.018
   53    HB   ILE   8           HB       ILE   8   7.075   8.323   2.214
   54   HG12  ILE   8          HG12      ILE   8   9.943   9.168   1.701
   55   HG13  ILE   8          HG13      ILE   8   8.538  10.249   1.705
   56   HG21  ILE   8          HG21      ILE   8   9.671   6.758   1.945
   57   HG22  ILE   8          HG22      ILE   8   8.537   6.778   3.301
   58   HG23  ILE   8          HG23      ILE   8   8.065   5.985   1.803
   59   HD11  ILE   8          HD11      ILE   8   9.487  10.444   3.868
   60   HD12  ILE   8          HD12      ILE   8   8.010   9.453   4.025
   61   HD13  ILE   8          HD13      ILE   8   9.620   8.690   4.058
   62    H    TRP   9           H        TRP   9   5.674   9.619   0.520
   63    HA   TRP   9           HA       TRP   9   6.788  11.889  -0.992
   64    HB2  TRP   9           HB2      TRP   9   5.208  10.040  -2.310
   65    HB3  TRP   9           HB3      TRP   9   4.019  11.220  -1.839
   66    HD1  TRP   9           HD1      TRP   9   6.083  10.376  -4.587
   67    HE1  TRP   9           HE1      TRP   9   6.545  12.309  -6.183
   68    HE3  TRP   9           HE3      TRP   9   4.819  14.293  -1.510
   69    HZ2  TRP   9           HZ2      TRP   9   6.392  15.201  -6.149
   70    HZ3  TRP   9           HZ3      TRP   9   5.081  16.630  -2.310
   71    HH2  TRP   9           HH2      TRP   9   5.827  17.091  -4.625
   72    H    VAL  10           H        VAL  10   6.939  12.617   1.242
   73    HA   VAL  10           HA       VAL  10   4.310  13.445   2.400
   74    HB   VAL  10           HB       VAL  10   5.172  13.012   4.610
   75   HG11  VAL  10          HG11      VAL  10   5.604  10.511   2.917
   76   HG12  VAL  10          HG12      VAL  10   5.152  10.590   4.629
   77   HG13  VAL  10          HG13      VAL  10   4.016  11.154   3.395
   78   HG21  VAL  10          HG21      VAL  10   7.707  11.991   3.290
   79   HG22  VAL  10          HG22      VAL  10   7.535  13.394   4.362
   80   HG23  VAL  10          HG23      VAL  10   7.278  11.771   5.004
   81    H    GLY  11           H        GLY  11   4.313  15.344   3.613
   82    HA2  GLY  11           HA2      GLY  11   5.955  17.412   2.423
   83    HA3  GLY  11           HA3      GLY  11   4.604  17.626   3.547
   84    H    GLY  12           H        GLY  12   7.499  15.605   4.134
   85    HA2  GLY  12           HA2      GLY  12   8.949  15.543   5.918
   86    HA3  GLY  12           HA3      GLY  12   9.035  17.311   5.772
   87    H    THR  13           H        THR  13   6.162  15.276   6.596
   88    HA   THR  13           HA       THR  13   5.151  17.072   8.394
   89    HB   THR  13           HB       THR  13   4.533  14.134   8.563
   90    HG1  THR  13           HG1      THR  13   3.709  14.024   6.652
   91   HG21  THR  13          HG21      THR  13   2.210  14.928   8.578
   92   HG22  THR  13          HG22      THR  13   3.141  15.752   9.837
   93   HG23  THR  13          HG23      THR  13   2.756  16.601   8.324
   94    HA   PRO  14           HA       PRO  14   7.716  16.246  12.058
   95    HB2  PRO  14           HB3      PRO  14   5.275  17.414  13.403
   96    HB3  PRO  14           HB2      PRO  14   7.005  17.751  13.722
   97    HG2  PRO  14           HG2      PRO  14   5.528  19.489  12.264
   98    HG3  PRO  14           HG3      PRO  14   7.189  19.065  11.733
   99    HD2  PRO  14           HD2      PRO  14   4.555  17.992  10.702
  100    HD3  PRO  14           HD3      PRO  14   6.014  18.499   9.794
  101    H    GLU  15           H        GLU  15   4.413  15.116  11.538
  102    HA   GLU  15           HA       GLU  15   4.506  13.296  13.819
  103    HB2  GLU  15           HB2      GLU  15   2.369  13.927  11.750
  104    HB3  GLU  15           HB3      GLU  15   2.148  12.780  13.071
  105    HG2  GLU  15           HG2      GLU  15   2.765  15.745  13.450
  106    HG3  GLU  15           HG3      GLU  15   1.168  15.019  13.525
  107    H    GLU  16           H        GLU  16   5.705  13.172  10.691
  108    HA   GLU  16           HA       GLU  16   5.330  10.196  10.532
  109    HB2  GLU  16           HB2      GLU  16   5.679  12.205   8.270
  110    HB3  GLU  16           HB3      GLU  16   5.629  10.444   8.095
  111    HG2  GLU  16           HG2      GLU  16   3.372  10.416   9.159
  112    HG3  GLU  16           HG3      GLU  16   3.388  12.176   9.223
  113    H    LEU  17           H        LEU  17   7.586  12.940  10.093
  114    HA   LEU  17           HA       LEU  17  10.005  11.660   9.721
  115    HB2  LEU  17           HB2      LEU  17   9.184  14.007  11.468
  116    HB3  LEU  17           HB3      LEU  17  10.861  13.488  11.415
  117    HG   LEU  17           HG       LEU  17   9.343  14.223   8.885
  118   HD11  LEU  17          HD11      LEU  17  10.482  16.427   9.045
  119   HD12  LEU  17          HD12      LEU  17   9.334  16.179  10.364
  120   HD13  LEU  17          HD13      LEU  17  11.077  16.000  10.665
  121   HD21  LEU  17          HD21      LEU  17  11.443  12.879   8.633
  122   HD22  LEU  17          HD22      LEU  17  12.332  14.120   9.528
  123   HD23  LEU  17          HD23      LEU  17  11.597  14.500   7.954
  124    H    LYS  18           H        LYS  18   8.038  11.654  12.676
  125    HA   LYS  18           HA       LYS  18   9.977  10.715  14.519
  126    HB2  LYS  18           HB2      LYS  18   6.954  10.344  14.387
  127    HB3  LYS  18           HB3      LYS  18   7.935   9.750  15.733
  128    HG2  LYS  18           HG2      LYS  18   8.766  12.007  16.206
  129    HG3  LYS  18           HG3      LYS  18   7.842  12.657  14.849
  130    HD2  LYS  18           HD2      LYS  18   5.713  11.935  15.965
  131    HD3  LYS  18           HD3      LYS  18   6.668  11.259  17.292
  132    HE2  LYS  18           HE2      LYS  18   5.962  13.352  18.110
  133    HE3  LYS  18           HE3      LYS  18   7.652  13.582  17.651
  134    HZ1  LYS  18           HZ1      LYS  18   6.720  14.504  15.492
  135    HZ2  LYS  18           HZ2      LYS  18   5.238  14.490  16.187
  136    HZ3  LYS  18           HZ3      LYS  18   6.422  15.413  16.833
  137    H    LYS  19           H        LYS  19   8.374   8.917  11.946
  138    HA   LYS  19           HA       LYS  19   9.620   6.395  13.003
  139    HB2  LYS  19           HB2      LYS  19   7.120   6.722  11.288
  140    HB3  LYS  19           HB3      LYS  19   7.843   5.190  11.763
  141    HG2  LYS  19           HG2      LYS  19   6.615   7.237  13.668
  142    HG3  LYS  19           HG3      LYS  19   5.855   5.752  13.097
  143    HD2  LYS  19           HD2      LYS  19   7.659   4.411  14.183
  144    HD3  LYS  19           HD3      LYS  19   8.363   5.912  14.828
  145    HE2  LYS  19           HE2      LYS  19   6.239   6.406  16.009
  146    HE3  LYS  19           HE3      LYS  19   5.532   4.918  15.370
  147    HZ1  LYS  19           HZ1      LYS  19   6.353   4.609  17.614
  148    HZ2  LYS  19           HZ2      LYS  19   7.209   3.668  16.600
  149    HZ3  LYS  19           HZ3      LYS  19   7.865   5.043  17.195
  150    H    LEU  20           H        LEU  20   8.906   8.395  10.104
  151    HA   LEU  20           HA       LEU  20  10.130   6.596   8.279
  152    HB2  LEU  20           HB2      LEU  20   9.319   9.486   8.165
  153    HB3  LEU  20           HB3      LEU  20  10.296   8.792   6.883
  154    HG   LEU  20           HG       LEU  20   7.965   8.733   6.357
  155   HD11  LEU  20          HD11      LEU  20   9.545   6.933   5.504
  156   HD12  LEU  20          HD12      LEU  20   8.868   5.849   6.728
  157   HD13  LEU  20          HD13      LEU  20   7.821   6.514   5.470
  158   HD21  LEU  20          HD21      LEU  20   6.331   7.226   7.340
  159   HD22  LEU  20          HD22      LEU  20   7.487   6.731   8.588
  160   HD23  LEU  20          HD23      LEU  20   6.883   8.402   8.526
  161    H    LYS  21           H        LYS  21  11.511   9.399  10.106
  162    HA   LYS  21           HA       LYS  21  14.067   9.167   8.767
  163    HB2  LYS  21           HB2      LYS  21  13.241  11.248   9.899
  164    HB3  LYS  21           HB3      LYS  21  13.384  10.436  11.460
  165    HG2  LYS  21           HG2      LYS  21  15.242  11.970  10.998
  166    HG3  LYS  21           HG3      LYS  21  15.796  10.317  11.267
  167    HD2  LYS  21           HD2      LYS  21  16.254   9.981   8.934
  168    HD3  LYS  21           HD3      LYS  21  15.372  11.462   8.474
  169    HE2  LYS  21           HE2      LYS  21  17.058  12.821   9.703
  170    HE3  LYS  21           HE3      LYS  21  17.923  11.351  10.157
  171    HZ1  LYS  21           HZ1      LYS  21  18.930  12.409   8.242
  172    HZ2  LYS  21           HZ2      LYS  21  18.351  10.957   7.792
  173    HZ3  LYS  21           HZ3      LYS  21  17.553  12.326   7.380
  174    H    GLU  22           H        GLU  22  12.597   7.704  11.671
  175    HA   GLU  22           HA       GLU  22  14.998   6.500  12.648
  176    HB2  GLU  22           HB2      GLU  22  12.920   6.774  13.978
  177    HB3  GLU  22           HB3      GLU  22  12.112   5.566  12.971
  178    HG2  GLU  22           HG2      GLU  22  13.748   3.854  13.677
  179    HG3  GLU  22           HG3      GLU  22  14.633   5.062  14.610
  180    H    GLU  23           H        GLU  23  12.437   5.285  10.383
  181    HA   GLU  23           HA       GLU  23  13.590   2.761   9.888
  182    HB2  GLU  23           HB2      GLU  23  11.284   3.622   9.242
  183    HB3  GLU  23           HB3      GLU  23  12.048   4.478   7.894
  184    HG2  GLU  23           HG2      GLU  23  12.956   2.236   7.110
  185    HG3  GLU  23           HG3      GLU  23  12.010   1.467   8.382
  186    H    ALA  24           H        ALA  24  14.186   5.906   8.280
  187    HA   ALA  24           HA       ALA  24  16.068   4.943   6.371
  188    HB1  ALA  24           HB1      ALA  24  14.808   7.098   6.267
  189    HB2  ALA  24           HB2      ALA  24  15.822   7.732   7.582
  190    HB3  ALA  24           HB3      ALA  24  16.555   7.304   6.022
  191    H    LYS  25           H        LYS  25  16.460   4.940   9.689
  192    HA   LYS  25           HA       LYS  25  19.444   4.959   9.442
  193    HB2  LYS  25           HB2      LYS  25  17.670   5.773  11.783
  194    HB3  LYS  25           HB3      LYS  25  19.424   5.576  11.875
  195    HG2  LYS  25           HG2      LYS  25  19.805   7.399  10.324
  196    HG3  LYS  25           HG3      LYS  25  18.093   7.509   9.921
  197    HD2  LYS  25           HD2      LYS  25  18.645   9.327  11.370
  198    HD3  LYS  25           HD3      LYS  25  17.558   8.223  12.220
  199    HE2  LYS  25           HE2      LYS  25  19.503   7.223  13.416
  200    HE3  LYS  25           HE3      LYS  25  20.599   8.298  12.540
  201    HZ1  LYS  25           HZ1      LYS  25  18.497   9.188  14.434
  202    HZ2  LYS  25           HZ2      LYS  25  20.096   9.143  14.741
  203    HZ3  LYS  25           HZ3      LYS  25  19.520  10.180  13.628
  204    H    LYS  26           H        LYS  26  16.517   3.295  10.571
  205    HA   LYS  26           HA       LYS  26  17.879   1.195  11.998
  206    HB2  LYS  26           HB2      LYS  26  15.445   1.832  12.254
  207    HB3  LYS  26           HB3      LYS  26  15.153   1.224  10.620
  208    HG2  LYS  26           HG2      LYS  26  14.419  -0.388  12.269
  209    HG3  LYS  26           HG3      LYS  26  15.751  -1.057  11.328
  210    HD2  LYS  26           HD2      LYS  26  17.321  -0.627  13.204
  211    HD3  LYS  26           HD3      LYS  26  16.041   0.207  14.092
  212    HE2  LYS  26           HE2      LYS  26  16.264  -1.982  15.027
  213    HE3  LYS  26           HE3      LYS  26  14.724  -1.908  14.171
  214    HZ1  LYS  26           HZ1      LYS  26  15.763  -3.128  12.343
  215    HZ2  LYS  26           HZ2      LYS  26  17.202  -3.164  13.125
  216    HZ3  LYS  26           HZ3      LYS  26  15.921  -3.963  13.730
  217    H    ALA  27           H        ALA  27  16.759   1.686   8.643
  218    HA   ALA  27           HA       ALA  27  18.340  -0.698   7.781
  219    HB1  ALA  27           HB1      ALA  27  15.721   0.377   6.639
  220    HB2  ALA  27           HB2      ALA  27  16.661  -0.989   5.990
  221    HB3  ALA  27           HB3      ALA  27  15.909  -1.111   7.588
  222    H    ASN  28           H        ASN  28  19.011  -0.487   5.495
  223    HA   ASN  28           HA       ASN  28  20.507   1.944   5.119
  224    HB2  ASN  28           HB2      ASN  28  21.250  -0.410   4.526
  225    HB3  ASN  28           HB3      ASN  28  20.089  -0.377   3.194
  226   HD21  ASN  28          HD21      ASN  28  21.329  -0.176   1.313
  227   HD22  ASN  28          HD22      ASN  28  22.619   0.977   1.102
  228    H    ILE  29           H        ILE  29  17.296   1.493   4.517
  229    HA   ILE  29           HA       ILE  29  16.944   2.391   1.840
  230    HB   ILE  29           HB       ILE  29  14.600   2.602   2.413
  231   HG12  ILE  29          HG12      ILE  29  13.945   1.845   4.848
  232   HG13  ILE  29          HG13      ILE  29  15.514   2.478   5.324
  233   HG21  ILE  29          HG21      ILE  29  14.195   0.332   2.993
  234   HG22  ILE  29          HG22      ILE  29  15.786   0.313   2.200
  235   HG23  ILE  29          HG23      ILE  29  15.672   0.196   3.956
  236   HD11  ILE  29          HD11      ILE  29  13.270   4.038   3.963
  237   HD12  ILE  29          HD12      ILE  29  13.697   4.090   5.686
  238   HD13  ILE  29          HD13      ILE  29  14.824   4.727   4.488
  239    H    ARG  30           H        ARG  30  15.790   4.476   1.269
  240    HA   ARG  30           HA       ARG  30  16.715   6.773   2.890
  241    HB2  ARG  30           HB2      ARG  30  17.754   7.905   1.176
  242    HB3  ARG  30           HB3      ARG  30  18.382   6.279   0.999
  243    HG2  ARG  30           HG2      ARG  30  16.220   7.600  -0.710
  244    HG3  ARG  30           HG3      ARG  30  17.901   7.356  -1.160
  245    HD2  ARG  30           HD2      ARG  30  17.627   4.937  -1.193
  246    HD3  ARG  30           HD3      ARG  30  15.974   5.063  -0.590
  247    HE   ARG  30           HE       ARG  30  16.921   5.619  -3.299
  248   HH11  ARG  30          HH11      ARG  30  14.177   5.916  -0.979
  249   HH12  ARG  30          HH12      ARG  30  13.015   5.917  -2.269
  250   HH21  ARG  30          HH22      ARG  30  15.236   5.747  -4.929
  251   HH22  ARG  30          HH21      ARG  30  13.579   5.887  -4.417
  252    H    VAL  31           H        VAL  31  15.461   8.604   2.654
  253    HA   VAL  31           HA       VAL  31  12.712   8.122   1.582
  254    HB   VAL  31           HB       VAL  31  11.934   9.216   3.699
  255   HG11  VAL  31          HG11      VAL  31  12.108   7.225   5.094
  256   HG12  VAL  31          HG12      VAL  31  11.856   6.758   3.402
  257   HG13  VAL  31          HG13      VAL  31  13.471   6.631   4.130
  258   HG21  VAL  31          HG21      VAL  31  13.422   9.224   5.668
  259   HG22  VAL  31          HG22      VAL  31  14.804   8.783   4.662
  260   HG23  VAL  31          HG23      VAL  31  13.997  10.339   4.414
  261    H    THR  32           H        THR  32  11.425  10.026   1.507
  262    HA   THR  32           HA       THR  32  12.927  12.382   0.488
  263    HB   THR  32           HB       THR  32  10.606  12.201  -0.983
  264    HG1  THR  32           HG1      THR  32   9.910  10.235  -1.040
  265   HG21  THR  32          HG21      THR  32  11.979  11.316  -2.804
  266   HG22  THR  32          HG22      THR  32  12.842  12.566  -1.900
  267   HG23  THR  32          HG23      THR  32  13.249  10.850  -1.640
  268    H    PHE  33           H        PHE  33  12.353  14.294   1.350
  269    HA   PHE  33           HA       PHE  33   9.743  14.541   2.779
  270    HB2  PHE  33           HB2      PHE  33  12.435  15.624   3.694
  271    HB3  PHE  33           HB3      PHE  33  10.900  15.828   4.510
  272    HD1  PHE  33           HD1      PHE  33   9.715  13.182   4.767
  273    HD2  PHE  33           HD2      PHE  33  13.879  14.304   4.923
  274    HE1  PHE  33           HE1      PHE  33  10.184  11.247   6.229
  275    HE2  PHE  33           HE2      PHE  33  14.343  12.348   6.375
  276    HZ   PHE  33           HZ       PHE  33  12.501  10.842   7.066
  277    H    TRP  34           H        TRP  34   8.731  15.686   1.172
  278    HA   TRP  34           HA       TRP  34  10.173  17.519  -0.506
  279    HB2  TRP  34           HB2      TRP  34   7.438  16.392  -0.342
  280    HB3  TRP  34           HB3      TRP  34   7.467  18.053  -0.912
  281    HD1  TRP  34           HD1      TRP  34   8.728  18.620  -3.094
  282    HE1  TRP  34           HE1      TRP  34   9.581  17.263  -5.102
  283    HE3  TRP  34           HE3      TRP  34   8.282  13.937  -1.106
  284    HZ2  TRP  34           HZ2      TRP  34  10.126  14.456  -5.698
  285    HZ3  TRP  34           HZ3      TRP  34   8.885  11.947  -2.452
  286    HH2  TRP  34           HH2      TRP  34   9.836  12.190  -4.722
  287    H    GLY  35           H        GLY  35   8.517  18.006   2.510
  288    HA2  GLY  35           HA2      GLY  35   8.015  19.909   3.729
  289    HA3  GLY  35           HA3      GLY  35   9.120  20.815   2.684
  290    H    ASP  36           H        ASP  36   6.441  18.970   1.327
  291    HA   ASP  36           HA       ASP  36   5.449  20.994  -0.306
  292    HB2  ASP  36           HB2      ASP  36   5.005  18.687  -0.791
  293    HB3  ASP  36           HB3      ASP  36   4.135  18.466   0.731
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  25.197  -7.357   5.687
    2    H2   GLY   1           H2       GLY   1  24.231  -7.245   4.366
    3    H3   GLY   1           H3       GLY   1  23.930  -8.384   5.503
    4    HA2  GLY   1           HA2      GLY   1  23.413  -6.713   7.141
    5    HA3  GLY   1           HA3      GLY   1  23.728  -5.479   5.913
    6    H    SER   2           H        SER   2  22.003  -4.779   4.730
    7    HA   SER   2           HA       SER   2  19.627  -6.484   4.306
    8    HB2  SER   2           HB2      SER   2  19.530  -3.692   5.540
    9    HB3  SER   2           HB3      SER   2  18.143  -4.719   5.140
   10    HG   SER   2           HG       SER   2  18.689  -4.796   7.367
   11    H    GLY   3           H        GLY   3  18.226  -5.538   2.619
   12    HA2  GLY   3           HA2      GLY   3  19.425  -3.436   0.903
   13    HA3  GLY   3           HA3      GLY   3  19.268  -5.080   0.264
   14    H    GLN   4           H        GLN   4  16.846  -3.828   2.508
   15    HA   GLN   4           HA       GLN   4  14.671  -4.027   0.629
   16    HB2  GLN   4           HB2      GLN   4  14.439  -4.286   3.096
   17    HB3  GLN   4           HB3      GLN   4  14.931  -2.610   3.328
   18    HG2  GLN   4           HG2      GLN   4  12.529  -2.836   3.597
   19    HG3  GLN   4           HG3      GLN   4  12.867  -1.829   2.213
   20   HE21  GLN   4          HE21      GLN   4  11.279  -4.747   3.268
   21   HE22  GLN   4          HE22      GLN   4  10.740  -5.272   1.695
   22    H    VAL   5           H        VAL   5  13.507  -2.230  -0.370
   23    HA   VAL   5           HA       VAL   5  14.738   0.431  -0.128
   24    HB   VAL   5           HB       VAL   5  14.089  -0.604  -2.889
   25   HG11  VAL   5          HG11      VAL   5  15.413   1.366  -3.592
   26   HG12  VAL   5          HG12      VAL   5  14.035   1.840  -2.602
   27   HG13  VAL   5          HG13      VAL   5  15.666   1.809  -1.891
   28   HG21  VAL   5          HG21      VAL   5  16.531  -0.726  -3.339
   29   HG22  VAL   5          HG22      VAL   5  16.855  -0.470  -1.612
   30   HG23  VAL   5          HG23      VAL   5  16.024  -1.941  -2.171
   31    H    ARG   6           H        ARG   6  13.282   1.974  -0.117
   32    HA   ARG   6           HA       ARG   6  10.591   1.833  -1.177
   33    HB2  ARG   6           HB2      ARG   6  11.248   2.177   1.794
   34    HB3  ARG   6           HB3      ARG   6   9.862   2.982   1.083
   35    HG2  ARG   6           HG2      ARG   6   8.709   0.980   0.655
   36    HG3  ARG   6           HG3      ARG   6  10.158  -0.016   0.813
   37    HD2  ARG   6           HD2      ARG   6   8.588  -0.201   2.752
   38    HD3  ARG   6           HD3      ARG   6  10.252   0.229   3.156
   39    HE   ARG   6           HE       ARG   6   8.410   2.494   2.852
   40   HH11  ARG   6          HH11      ARG   6   9.710   0.129   5.168
   41   HH12  ARG   6          HH12      ARG   6   9.511   1.169   6.550
   42   HH21  ARG   6          HH22      ARG   6   8.200   3.880   4.719
   43   HH22  ARG   6          HH21      ARG   6   8.711   3.313   6.283
   44    H    THR   7           H        THR   7   9.868   4.154  -1.273
   45    HA   THR   7           HA       THR   7  11.772   6.249  -0.522
   46    HB   THR   7           HB       THR   7  10.619   6.115  -3.349
   47    HG1  THR   7           HG1      THR   7  12.230   4.602  -3.185
   48   HG21  THR   7          HG21      THR   7  12.299   7.938  -3.768
   49   HG22  THR   7          HG22      THR   7  10.993   8.407  -2.678
   50   HG23  THR   7          HG23      THR   7  12.597   8.013  -2.014
   51    H    ILE   8           H        ILE   8  10.664   8.214  -0.271
   52    HA   ILE   8           HA       ILE   8   7.729   7.888   0.164
   53    HB   ILE   8           HB       ILE   8   7.883   8.607   2.382
   54   HG12  ILE   8          HG12      ILE   8  10.699   9.602   1.927
   55   HG13  ILE   8          HG13      ILE   8   9.238  10.598   2.031
   56   HG21  ILE   8          HG21      ILE   8   9.353   7.092   3.487
   57   HG22  ILE   8          HG22      ILE   8   8.970   6.310   1.963
   58   HG23  ILE   8          HG23      ILE   8  10.542   7.145   2.179
   59   HD11  ILE   8          HD11      ILE   8   8.805   9.596   4.293
   60   HD12  ILE   8          HD12      ILE   8  10.484   8.988   4.254
   61   HD13  ILE   8          HD13      ILE   8  10.183  10.726   4.173
   62    H    TRP   9           H        TRP   9   6.622  10.042   0.535
   63    HA   TRP   9           HA       TRP   9   7.933  12.322  -0.789
   64    HB2  TRP   9           HB2      TRP   9   6.335  10.579  -2.243
   65    HB3  TRP   9           HB3      TRP   9   5.196  11.824  -1.817
   66    HD1  TRP   9           HD1      TRP   9   7.805  10.926  -4.219
   67    HE1  TRP   9           HE1      TRP   9   8.347  12.823  -5.837
   68    HE3  TRP   9           HE3      TRP   9   5.648  14.818  -1.661
   69    HZ2  TRP   9           HZ2      TRP   9   7.922  15.688  -5.997
   70    HZ3  TRP   9           HZ3      TRP   9   5.849  17.123  -2.503
   71    HH2  TRP   9           HH2      TRP   9   6.946  17.575  -4.693
   72    H    VAL  10           H        VAL  10   7.554  12.061   1.914
   73    HA   VAL  10           HA       VAL  10   5.017  13.210   2.751
   74    HB   VAL  10           HB       VAL  10   6.068  13.373   4.952
   75   HG11  VAL  10          HG11      VAL  10   5.028  11.248   4.227
   76   HG12  VAL  10          HG12      VAL  10   6.605  10.665   3.653
   77   HG13  VAL  10          HG13      VAL  10   6.345  10.990   5.378
   78   HG21  VAL  10          HG21      VAL  10   8.323  12.419   5.365
   79   HG22  VAL  10          HG22      VAL  10   8.616  12.397   3.611
   80   HG23  VAL  10          HG23      VAL  10   8.357  13.934   4.454
   81    H    GLY  11           H        GLY  11   4.567  15.321   3.249
   82    HA2  GLY  11           HA2      GLY  11   6.576  17.401   3.296
   83    HA3  GLY  11           HA3      GLY  11   5.594  17.419   1.817
   84    H    GLY  12           H        GLY  12   4.388  16.401   5.013
   85    HA2  GLY  12           HA2      GLY  12   3.309  18.896   5.873
   86    HA3  GLY  12           HA3      GLY  12   2.077  18.012   4.954
   87    H    THR  13           H        THR  13   4.562  16.371   6.906
   88    HA   THR  13           HA       THR  13   2.614  15.569   8.976
   89    HB   THR  13           HB       THR  13   3.303  13.148   8.433
   90    HG1  THR  13           HG1      THR  13   4.934  13.535   6.980
   91   HG21  THR  13          HG21      THR  13   1.609  14.513   6.300
   92   HG22  THR  13          HG22      THR  13   1.571  12.810   6.789
   93   HG23  THR  13          HG23      THR  13   1.033  14.061   7.921
   94    HA   PRO  14           HA       PRO  14   7.148  16.464   9.839
   95    HB2  PRO  14           HB3      PRO  14   6.904  18.191  11.978
   96    HB3  PRO  14           HB2      PRO  14   6.855  18.687  10.259
   97    HG2  PRO  14           HG2      PRO  14   4.514  18.122  12.104
   98    HG3  PRO  14           HG3      PRO  14   4.756  19.529  11.018
   99    HD2  PRO  14           HD2      PRO  14   3.222  17.428  10.264
  100    HD3  PRO  14           HD3      PRO  14   4.307  18.235   9.092
  101    H    GLU  15           H        GLU  15   4.544  15.454  12.045
  102    HA   GLU  15           HA       GLU  15   6.310  14.502  14.102
  103    HB2  GLU  15           HB2      GLU  15   3.429  13.764  13.434
  104    HB3  GLU  15           HB3      GLU  15   4.282  13.258  14.891
  105    HG2  GLU  15           HG2      GLU  15   3.592  16.116  14.095
  106    HG3  GLU  15           HG3      GLU  15   2.835  15.163  15.365
  107    H    GLU  16           H        GLU  16   5.170  13.107  11.018
  108    HA   GLU  16           HA       GLU  16   5.791  10.391  11.876
  109    HB2  GLU  16           HB2      GLU  16   5.136  11.483   9.107
  110    HB3  GLU  16           HB3      GLU  16   5.350   9.777   9.533
  111    HG2  GLU  16           HG2      GLU  16   3.559  10.236  11.384
  112    HG3  GLU  16           HG3      GLU  16   3.162  11.670  10.440
  113    H    LEU  17           H        LEU  17   7.630  13.017  10.560
  114    HA   LEU  17           HA       LEU  17   9.869  11.703   9.463
  115    HB2  LEU  17           HB2      LEU  17   9.899  14.117  11.311
  116    HB3  LEU  17           HB3      LEU  17  11.162  13.643  10.188
  117    HG   LEU  17           HG       LEU  17   8.364  14.562   9.387
  118   HD11  LEU  17          HD11      LEU  17   9.745  16.374  10.351
  119   HD12  LEU  17          HD12      LEU  17   9.490  16.610   8.614
  120   HD13  LEU  17          HD13      LEU  17  11.050  15.995   9.206
  121   HD21  LEU  17          HD21      LEU  17   9.293  14.686   7.097
  122   HD22  LEU  17          HD22      LEU  17  10.803  13.955   7.684
  123   HD23  LEU  17          HD23      LEU  17   9.282  13.029   7.708
  124    H    LYS  18           H        LYS  18   8.769  11.913  12.857
  125    HA   LYS  18           HA       LYS  18  11.246  11.108  14.065
  126    HB2  LYS  18           HB2      LYS  18   8.396  10.614  15.017
  127    HB3  LYS  18           HB3      LYS  18   9.855  10.495  16.004
  128    HG2  LYS  18           HG2      LYS  18  10.317  12.915  15.639
  129    HG3  LYS  18           HG3      LYS  18   8.834  13.062  14.699
  130    HD2  LYS  18           HD2      LYS  18   9.074  12.435  17.662
  131    HD3  LYS  18           HD3      LYS  18   8.424  13.895  16.902
  132    HE2  LYS  18           HE2      LYS  18   6.654  12.345  15.822
  133    HE3  LYS  18           HE3      LYS  18   7.215  11.102  16.946
  134    HZ1  LYS  18           HZ1      LYS  18   5.380  12.206  17.923
  135    HZ2  LYS  18           HZ2      LYS  18   6.677  12.759  18.747
  136    HZ3  LYS  18           HZ3      LYS  18   5.952  13.696  17.588
  137    H    LYS  19           H        LYS  19   8.717   9.273  12.360
  138    HA   LYS  19           HA       LYS  19   9.787   6.669  13.337
  139    HB2  LYS  19           HB2      LYS  19   7.562   7.337  11.349
  140    HB3  LYS  19           HB3      LYS  19   8.016   5.719  11.884
  141    HG2  LYS  19           HG2      LYS  19   7.380   6.286  14.206
  142    HG3  LYS  19           HG3      LYS  19   6.909   7.913  13.703
  143    HD2  LYS  19           HD2      LYS  19   5.651   5.331  12.673
  144    HD3  LYS  19           HD3      LYS  19   4.980   6.357  13.950
  145    HE2  LYS  19           HE2      LYS  19   4.809   8.255  12.369
  146    HE3  LYS  19           HE3      LYS  19   5.487   7.257  11.074
  147    HZ1  LYS  19           HZ1      LYS  19   3.547   5.813  11.263
  148    HZ2  LYS  19           HZ2      LYS  19   2.911   6.755  12.441
  149    HZ3  LYS  19           HZ3      LYS  19   3.105   7.354  10.927
  150    H    LEU  20           H        LEU  20   9.326   8.605  10.355
  151    HA   LEU  20           HA       LEU  20  10.470   6.738   8.603
  152    HB2  LEU  20           HB2      LEU  20   9.796   9.650   8.474
  153    HB3  LEU  20           HB3      LEU  20  10.788   8.962   7.201
  154    HG   LEU  20           HG       LEU  20   8.404   8.987   6.717
  155   HD11  LEU  20          HD11      LEU  20   8.311   6.848   5.627
  156   HD12  LEU  20          HD12      LEU  20  10.028   7.292   5.705
  157   HD13  LEU  20          HD13      LEU  20   9.372   6.100   6.831
  158   HD21  LEU  20          HD21      LEU  20   7.343   8.465   8.829
  159   HD22  LEU  20          HD22      LEU  20   6.823   7.351   7.573
  160   HD23  LEU  20          HD23      LEU  20   7.998   6.808   8.782
  161    H    LYS  21           H        LYS  21  12.053   9.521  10.291
  162    HA   LYS  21           HA       LYS  21  14.599   9.093   9.051
  163    HB2  LYS  21           HB2      LYS  21  13.915  11.174  10.235
  164    HB3  LYS  21           HB3      LYS  21  13.925  10.305  11.770
  165    HG2  LYS  21           HG2      LYS  21  15.906  11.708  11.466
  166    HG3  LYS  21           HG3      LYS  21  16.341  10.011  11.658
  167    HD2  LYS  21           HD2      LYS  21  16.844   9.779   9.304
  168    HD3  LYS  21           HD3      LYS  21  16.120  11.367   8.935
  169    HE2  LYS  21           HE2      LYS  21  17.866  12.461  10.335
  170    HE3  LYS  21           HE3      LYS  21  18.583  10.884  10.678
  171    HZ1  LYS  21           HZ1      LYS  21  19.050  10.663   8.296
  172    HZ2  LYS  21           HZ2      LYS  21  18.391  12.130   7.993
  173    HZ3  LYS  21           HZ3      LYS  21  19.742  12.012   8.891
  174    H    GLU  22           H        GLU  22  12.996   7.454  11.792
  175    HA   GLU  22           HA       GLU  22  15.432   6.142  12.677
  176    HB2  GLU  22           HB2      GLU  22  13.276   6.485  14.055
  177    HB3  GLU  22           HB3      GLU  22  12.607   5.122  13.131
  178    HG2  GLU  22           HG2      GLU  22  14.670   3.802  13.805
  179    HG3  GLU  22           HG3      GLU  22  15.112   5.128  14.874
  180    H    GLU  23           H        GLU  23  12.672   5.210  10.522
  181    HA   GLU  23           HA       GLU  23  13.681   2.659   9.831
  182    HB2  GLU  23           HB2      GLU  23  11.993   4.570   8.161
  183    HB3  GLU  23           HB3      GLU  23  12.343   2.886   7.757
  184    HG2  GLU  23           HG2      GLU  23  11.323   2.253  10.018
  185    HG3  GLU  23           HG3      GLU  23  10.698   3.904  10.092
  186    H    ALA  24           H        ALA  24  14.420   5.864   8.427
  187    HA   ALA  24           HA       ALA  24  16.040   5.010   6.287
  188    HB1  ALA  24           HB1      ALA  24  16.397   7.528   7.969
  189    HB2  ALA  24           HB2      ALA  24  16.875   7.285   6.281
  190    HB3  ALA  24           HB3      ALA  24  15.154   7.331   6.721
  191    H    LYS  25           H        LYS  25  16.705   4.710   9.644
  192    HA   LYS  25           HA       LYS  25  19.638   4.342   9.150
  193    HB2  LYS  25           HB2      LYS  25  18.116   5.166  11.660
  194    HB3  LYS  25           HB3      LYS  25  19.849   4.825  11.594
  195    HG2  LYS  25           HG2      LYS  25  20.248   6.704  10.101
  196    HG3  LYS  25           HG3      LYS  25  18.520   6.982   9.887
  197    HD2  LYS  25           HD2      LYS  25  19.377   8.647  11.376
  198    HD3  LYS  25           HD3      LYS  25  18.281   7.584  12.266
  199    HE2  LYS  25           HE2      LYS  25  20.235   6.346  13.195
  200    HE3  LYS  25           HE3      LYS  25  21.334   7.380  12.275
  201    HZ1  LYS  25           HZ1      LYS  25  20.543   9.269  13.577
  202    HZ2  LYS  25           HZ2      LYS  25  19.515   8.316  14.423
  203    HZ3  LYS  25           HZ3      LYS  25  21.124   8.113  14.563
  204    H    LYS  26           H        LYS  26  16.639   2.958  10.491
  205    HA   LYS  26           HA       LYS  26  17.970   0.611  11.603
  206    HB2  LYS  26           HB2      LYS  26  15.094   1.479  11.125
  207    HB3  LYS  26           HB3      LYS  26  15.457  -0.164  11.649
  208    HG2  LYS  26           HG2      LYS  26  16.339   2.325  13.167
  209    HG3  LYS  26           HG3      LYS  26  14.825   1.451  13.457
  210    HD2  LYS  26           HD2      LYS  26  16.148  -0.619  13.981
  211    HD3  LYS  26           HD3      LYS  26  17.633   0.314  13.771
  212    HE2  LYS  26           HE2      LYS  26  17.216   0.200  16.105
  213    HE3  LYS  26           HE3      LYS  26  16.907   1.862  15.599
  214    HZ1  LYS  26           HZ1      LYS  26  15.230   0.932  17.127
  215    HZ2  LYS  26           HZ2      LYS  26  14.541   1.445  15.746
  216    HZ3  LYS  26           HZ3      LYS  26  14.781  -0.166  16.015
  217    H    ALA  27           H        ALA  27  16.700   1.513   8.429
  218    HA   ALA  27           HA       ALA  27  17.460  -1.171   7.417
  219    HB1  ALA  27           HB1      ALA  27  15.404  -1.161   6.012
  220    HB2  ALA  27           HB2      ALA  27  15.014  -1.175   7.738
  221    HB3  ALA  27           HB3      ALA  27  14.870   0.333   6.814
  222    H    ASN  28           H        ASN  28  17.560  -1.115   5.011
  223    HA   ASN  28           HA       ASN  28  19.437   0.880   4.164
  224    HB2  ASN  28           HB2      ASN  28  19.573  -1.480   3.533
  225    HB3  ASN  28           HB3      ASN  28  18.006  -1.399   2.736
  226   HD21  ASN  28          HD21      ASN  28  17.949  -0.826   0.566
  227   HD22  ASN  28          HD22      ASN  28  19.364  -0.317  -0.340
  228    H    ILE  29           H        ILE  29  16.039   1.034   4.167
  229    HA   ILE  29           HA       ILE  29  15.437   1.837   1.576
  230    HB   ILE  29           HB       ILE  29  13.302   2.664   2.522
  231   HG12  ILE  29          HG12      ILE  29  12.816   1.933   4.935
  232   HG13  ILE  29          HG13      ILE  29  14.543   2.031   5.234
  233   HG21  ILE  29          HG21      ILE  29  14.196  -0.033   3.644
  234   HG22  ILE  29          HG22      ILE  29  12.556   0.452   3.185
  235   HG23  ILE  29          HG23      ILE  29  13.800   0.279   1.947
  236   HD11  ILE  29          HD11      ILE  29  13.301   4.062   5.946
  237   HD12  ILE  29          HD12      ILE  29  14.501   4.450   4.723
  238   HD13  ILE  29          HD13      ILE  29  12.783   4.337   4.272
  239    H    ARG  30           H        ARG  30  14.723   3.822   0.637
  240    HA   ARG  30           HA       ARG  30  16.483   6.101   1.333
  241    HB2  ARG  30           HB2      ARG  30  16.209   5.251  -1.026
  242    HB3  ARG  30           HB3      ARG  30  14.497   5.670  -0.956
  243    HG2  ARG  30           HG2      ARG  30  15.095   8.065  -0.638
  244    HG3  ARG  30           HG3      ARG  30  16.809   7.639  -0.775
  245    HD2  ARG  30           HD2      ARG  30  14.658   7.211  -2.904
  246    HD3  ARG  30           HD3      ARG  30  15.826   8.523  -2.881
  247    HE   ARG  30           HE       ARG  30  17.602   7.022  -3.320
  248   HH11  ARG  30          HH22      ARG  30  14.408   5.414  -3.576
  249   HH12  ARG  30          HH21      ARG  30  15.018   4.124  -4.545
  250   HH21  ARG  30          HH11      ARG  30  18.367   5.283  -4.584
  251   HH22  ARG  30          HH12      ARG  30  17.302   4.041  -5.118
  252    H    VAL  31           H        VAL  31  15.643   8.118   1.828
  253    HA   VAL  31           HA       VAL  31  12.738   8.434   2.131
  254    HB   VAL  31           HB       VAL  31  13.000   9.668   4.245
  255   HG11  VAL  31          HG11      VAL  31  13.941   6.797   4.553
  256   HG12  VAL  31          HG12      VAL  31  13.025   7.769   5.721
  257   HG13  VAL  31          HG13      VAL  31  12.269   7.273   4.202
  258   HG21  VAL  31          HG21      VAL  31  15.817   8.499   4.383
  259   HG22  VAL  31          HG22      VAL  31  15.409  10.215   4.174
  260   HG23  VAL  31          HG23      VAL  31  14.979   9.395   5.669
  261    H    THR  32           H        THR  32  12.079  10.542   1.791
  262    HA   THR  32           HA       THR  32  14.066  12.607   1.113
  263    HB   THR  32           HB       THR  32  11.811  11.982  -0.818
  264    HG1  THR  32           HG1      THR  32  13.179  10.785  -2.070
  265   HG21  THR  32          HG21      THR  32  12.909  14.184  -1.015
  266   HG22  THR  32          HG22      THR  32  14.503  13.404  -1.118
  267   HG23  THR  32          HG23      THR  32  13.311  13.183  -2.416
  268    H    PHE  33           H        PHE  33  13.227  14.642   1.583
  269    HA   PHE  33           HA       PHE  33  10.525  14.677   2.869
  270    HB2  PHE  33           HB2      PHE  33  13.081  15.943   3.929
  271    HB3  PHE  33           HB3      PHE  33  11.513  15.901   4.712
  272    HD1  PHE  33           HD2      PHE  33  10.582  13.313   4.963
  273    HD2  PHE  33           HD1      PHE  33  14.711  14.521   4.856
  274    HE1  PHE  33           HE2      PHE  33  11.191  11.329   6.318
  275    HE2  PHE  33           HE1      PHE  33  15.324  12.516   6.190
  276    HZ   PHE  33           HZ       PHE  33  13.557  10.947   6.970
  277    H    TRP  34           H        TRP  34   9.289  16.207   1.877
  278    HA   TRP  34           HA       TRP  34  10.618  18.543   0.592
  279    HB2  TRP  34           HB2      TRP  34   7.901  17.228   0.323
  280    HB3  TRP  34           HB3      TRP  34   8.138  18.897  -0.152
  281    HD1  TRP  34           HD1      TRP  34   9.375  19.415  -2.343
  282    HE1  TRP  34           HE1      TRP  34  10.413  18.069  -4.242
  283    HE3  TRP  34           HE3      TRP  34   9.060  14.728  -0.273
  284    HZ2  TRP  34           HZ2      TRP  34  11.118  15.306  -4.774
  285    HZ3  TRP  34           HZ3      TRP  34   9.923  12.770  -1.517
  286    HH2  TRP  34           HH2      TRP  34  10.956  13.040  -3.750
  287    H    GLY  35           H        GLY  35   9.999  20.666   1.133
  288    HA2  GLY  35           HA2      GLY  35   9.075  21.161   3.858
  289    HA3  GLY  35           HA3      GLY  35   9.406  22.360   2.588
  290    H    ASP  36           H        ASP  36   7.792  21.406   0.509
  291    HA   ASP  36           HA       ASP  36   5.153  20.628   1.282
  292    HB2  ASP  36           HB2      ASP  36   4.783  23.004   1.700
  293    HB3  ASP  36           HB3      ASP  36   5.644  23.451   0.224
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  11.204 -10.120   8.478
    2    H2   GLY   1           H2       GLY   1   9.808  -9.720   7.716
    3    H3   GLY   1           H3       GLY   1  10.446  -8.714   8.842
    4    HA2  GLY   1           HA2      GLY   1  11.667  -9.363   6.246
    5    HA3  GLY   1           HA3      GLY   1  10.838  -7.852   6.640
    6    H    SER   2           H        SER   2  13.863  -9.428   6.574
    7    HA   SER   2           HA       SER   2  15.208  -8.347   8.778
    8    HB2  SER   2           HB2      SER   2  16.389  -8.993   6.052
    9    HB3  SER   2           HB3      SER   2  17.197  -9.066   7.629
   10    HG   SER   2           HG       SER   2  16.528 -11.134   6.894
   11    H    GLY   3           H        GLY   3  14.314  -6.755   5.749
   12    HA2  GLY   3           HA2      GLY   3  14.980  -4.162   6.664
   13    HA3  GLY   3           HA3      GLY   3  16.239  -4.731   5.550
   14    H    GLN   4           H        GLN   4  15.075  -2.677   4.509
   15    HA   GLN   4           HA       GLN   4  13.551  -3.650   2.260
   16    HB2  GLN   4           HB2      GLN   4  11.723  -1.957   2.522
   17    HB3  GLN   4           HB3      GLN   4  11.641  -3.266   3.690
   18    HG2  GLN   4           HG2      GLN   4  12.459  -1.842   5.477
   19    HG3  GLN   4           HG3      GLN   4  12.849  -0.546   4.351
   20   HE21  GLN   4          HE21      GLN   4  10.069  -2.402   5.711
   21   HE22  GLN   4          HE22      GLN   4   8.911  -1.118   5.471
   22    H    VAL   5           H        VAL   5  13.338  -1.894   0.624
   23    HA   VAL   5           HA       VAL   5  14.763   0.582   1.136
   24    HB   VAL   5           HB       VAL   5  16.590  -0.642   0.311
   25   HG11  VAL   5          HG11      VAL   5  15.510  -2.556  -0.794
   26   HG12  VAL   5          HG12      VAL   5  14.978  -1.500  -2.121
   27   HG13  VAL   5          HG13      VAL   5  16.705  -1.791  -1.846
   28   HG21  VAL   5          HG21      VAL   5  17.232   0.633  -1.636
   29   HG22  VAL   5          HG22      VAL   5  15.542   1.036  -1.991
   30   HG23  VAL   5          HG23      VAL   5  16.324   1.662  -0.522
   31    H    ARG   6           H        ARG   6  13.531   2.207   0.305
   32    HA   ARG   6           HA       ARG   6  12.011   2.030  -2.084
   33    HB2  ARG   6           HB2      ARG   6   9.758   2.473  -0.978
   34    HB3  ARG   6           HB3      ARG   6  10.338   0.832  -0.970
   35    HG2  ARG   6           HG2      ARG   6   9.238   1.305   1.088
   36    HG3  ARG   6           HG3      ARG   6  10.934   0.979   1.411
   37    HD2  ARG   6           HD2      ARG   6  11.374   3.332   1.816
   38    HD3  ARG   6           HD3      ARG   6   9.796   3.793   1.195
   39    HE   ARG   6           HE       ARG   6  10.268   2.227   3.714
   40   HH11  ARG   6          HH22      ARG   6   8.029   4.162   1.763
   41   HH12  ARG   6          HH21      ARG   6   6.951   4.481   3.070
   42   HH21  ARG   6          HH11      ARG   6   8.998   2.923   5.539
   43   HH22  ARG   6          HH12      ARG   6   7.478   3.681   5.230
   44    H    THR   7           H        THR   7  10.683   4.112  -2.251
   45    HA   THR   7           HA       THR   7  12.088   6.438  -0.982
   46    HB   THR   7           HB       THR   7  10.274   6.408  -3.429
   47    HG1  THR   7           HG1      THR   7  12.031   5.110  -3.902
   48   HG21  THR   7          HG21      THR   7  12.334   8.392  -2.368
   49   HG22  THR   7          HG22      THR   7  11.641   8.469  -4.002
   50   HG23  THR   7          HG23      THR   7  10.592   8.654  -2.601
   51    H    ILE   8           H        ILE   8  10.666   8.166  -0.403
   52    HA   ILE   8           HA       ILE   8   8.056   7.238   0.711
   53    HB   ILE   8           HB       ILE   8   8.513   8.465   2.725
   54   HG12  ILE   8          HG12      ILE   8  11.118   9.407   1.508
   55   HG13  ILE   8          HG13      ILE   8   9.666  10.386   1.760
   56   HG21  ILE   8          HG21      ILE   8   9.594   6.143   2.407
   57   HG22  ILE   8          HG22      ILE   8  11.131   7.003   2.166
   58   HG23  ILE   8          HG23      ILE   8  10.254   7.138   3.701
   59   HD11  ILE   8          HD11      ILE   8  11.086  10.862   3.629
   60   HD12  ILE   8          HD12      ILE   8   9.748   9.825   4.182
   61   HD13  ILE   8          HD13      ILE   8  11.359   9.140   3.947
   62    H    TRP   9           H        TRP   9   6.700   9.356   1.293
   63    HA   TRP   9           HA       TRP   9   7.413  11.676  -0.299
   64    HB2  TRP   9           HB2      TRP   9   5.742   9.893  -1.578
   65    HB3  TRP   9           HB3      TRP   9   4.586  10.967  -0.832
   66    HD1  TRP   9           HD1      TRP   9   6.701  10.584  -3.761
   67    HE1  TRP   9           HE1      TRP   9   6.740  12.665  -5.233
   68    HE3  TRP   9           HE3      TRP   9   4.939  13.989  -0.361
   69    HZ2  TRP   9           HZ2      TRP   9   6.049  15.467  -4.988
   70    HZ3  TRP   9           HZ3      TRP   9   4.786  16.391  -0.985
   71    HH2  TRP   9           HH2      TRP   9   5.277  17.124  -3.297
   72    H    VAL  10           H        VAL  10   7.743  12.547   1.696
   73    HA   VAL  10           HA       VAL  10   5.344  12.992   3.432
   74    HB   VAL  10           HB       VAL  10   6.958  11.078   4.101
   75   HG11  VAL  10          HG11      VAL  10   9.056  12.183   3.526
   76   HG12  VAL  10          HG12      VAL  10   8.738  13.413   4.755
   77   HG13  VAL  10          HG13      VAL  10   9.015  11.733   5.250
   78   HG21  VAL  10          HG21      VAL  10   6.597  13.294   6.144
   79   HG22  VAL  10          HG22      VAL  10   5.391  12.042   5.718
   80   HG23  VAL  10          HG23      VAL  10   6.920  11.585   6.474
   81    H    GLY  11           H        GLY  11   5.451  14.895   4.709
   82    HA2  GLY  11           HA2      GLY  11   7.711  16.609   4.781
   83    HA3  GLY  11           HA3      GLY  11   6.618  17.220   3.540
   84    H    GLY  12           H        GLY  12   4.191  17.288   4.323
   85    HA2  GLY  12           HA2      GLY  12   4.162  19.098   6.583
   86    HA3  GLY  12           HA3      GLY  12   2.823  18.704   5.496
   87    H    THR  13           H        THR  13   4.791  16.505   7.527
   88    HA   THR  13           HA       THR  13   2.522  15.709   9.224
   89    HB   THR  13           HB       THR  13   3.078  13.286   8.440
   90    HG1  THR  13           HG1      THR  13   4.846  13.771   7.193
   91   HG21  THR  13          HG21      THR  13   1.667  15.038   6.383
   92   HG22  THR  13          HG22      THR  13   1.462  13.299   6.650
   93   HG23  THR  13          HG23      THR  13   0.922  14.446   7.888
   94    HA   PRO  14           HA       PRO  14   6.882  16.350  10.736
   95    HB2  PRO  14           HB3      PRO  14   5.369  16.882  13.298
   96    HB3  PRO  14           HB2      PRO  14   6.818  17.715  12.651
   97    HG2  PRO  14           HG2      PRO  14   4.371  18.842  12.381
   98    HG3  PRO  14           HG3      PRO  14   5.515  18.849  10.998
   99    HD2  PRO  14           HD2      PRO  14   3.172  17.003  11.487
  100    HD3  PRO  14           HD3      PRO  14   3.677  17.823   9.984
  101    H    GLU  15           H        GLU  15   4.326  14.446  12.340
  102    HA   GLU  15           HA       GLU  15   6.080  12.942  14.032
  103    HB2  GLU  15           HB2      GLU  15   3.322  12.263  12.920
  104    HB3  GLU  15           HB3      GLU  15   4.141  11.352  14.188
  105    HG2  GLU  15           HG2      GLU  15   3.275  14.272  14.372
  106    HG3  GLU  15           HG3      GLU  15   2.444  12.901  15.089
  107    H    GLU  16           H        GLU  16   4.999  12.548  10.664
  108    HA   GLU  16           HA       GLU  16   6.082   9.845  10.459
  109    HB2  GLU  16           HB2      GLU  16   4.957  11.749   8.366
  110    HB3  GLU  16           HB3      GLU  16   5.516  10.093   8.050
  111    HG2  GLU  16           HG2      GLU  16   3.934   9.268   9.815
  112    HG3  GLU  16           HG3      GLU  16   3.313  10.907   9.990
  113    H    LEU  17           H        LEU  17   7.289  13.136  10.014
  114    HA   LEU  17           HA       LEU  17   9.663  12.387   8.538
  115    HB2  LEU  17           HB2      LEU  17   9.345  14.599  10.617
  116    HB3  LEU  17           HB3      LEU  17  10.695  14.403   9.521
  117    HG   LEU  17           HG       LEU  17   7.841  14.968   8.636
  118   HD11  LEU  17          HD11      LEU  17   8.630  17.246   8.174
  119   HD12  LEU  17          HD12      LEU  17   8.893  16.869   9.884
  120   HD13  LEU  17          HD13      LEU  17  10.258  16.832   8.756
  121   HD21  LEU  17          HD21      LEU  17   9.134  13.788   6.927
  122   HD22  LEU  17          HD22      LEU  17   8.851  15.466   6.448
  123   HD23  LEU  17          HD23      LEU  17  10.446  14.981   7.065
  124    H    LYS  18           H        LYS  18   8.662  12.197  11.983
  125    HA   LYS  18           HA       LYS  18  11.385  11.518  12.850
  126    HB2  LYS  18           HB2      LYS  18   8.761  11.030  14.333
  127    HB3  LYS  18           HB3      LYS  18  10.381  10.932  14.999
  128    HG2  LYS  18           HG2      LYS  18   8.970  13.443  14.028
  129    HG3  LYS  18           HG3      LYS  18   9.307  12.986  15.693
  130    HD2  LYS  18           HD2      LYS  18  11.759  13.148  15.228
  131    HD3  LYS  18           HD3      LYS  18  11.387  13.694  13.574
  132    HE2  LYS  18           HE2      LYS  18  10.116  15.614  14.485
  133    HE3  LYS  18           HE3      LYS  18  10.474  15.080  16.132
  134    HZ1  LYS  18           HZ1      LYS  18  12.499  15.942  14.146
  135    HZ2  LYS  18           HZ2      LYS  18  11.987  16.815  15.422
  136    HZ3  LYS  18           HZ3      LYS  18  12.829  15.445  15.669
  137    H    LYS  19           H        LYS  19   8.345   9.654  12.305
  138    HA   LYS  19           HA       LYS  19   9.463   7.117  12.878
  139    HB2  LYS  19           HB2      LYS  19   7.233   7.865  10.935
  140    HB3  LYS  19           HB3      LYS  19   7.619   6.213  11.425
  141    HG2  LYS  19           HG2      LYS  19   7.104   6.704  13.757
  142    HG3  LYS  19           HG3      LYS  19   6.823   8.412  13.387
  143    HD2  LYS  19           HD2      LYS  19   4.957   7.778  11.869
  144    HD3  LYS  19           HD3      LYS  19   5.180   6.078  12.299
  145    HE2  LYS  19           HE2      LYS  19   4.505   8.326  14.260
  146    HE3  LYS  19           HE3      LYS  19   3.316   7.250  13.523
  147    HZ1  LYS  19           HZ1      LYS  19   3.913   6.482  15.712
  148    HZ2  LYS  19           HZ2      LYS  19   4.406   5.381  14.621
  149    HZ3  LYS  19           HZ3      LYS  19   5.492   6.377  15.334
  150    H    LEU  20           H        LEU  20   9.245   8.809   9.687
  151    HA   LEU  20           HA       LEU  20  10.531   6.587   8.366
  152    HB2  LEU  20           HB2      LEU  20   9.978   9.407   7.380
  153    HB3  LEU  20           HB3      LEU  20  10.538   8.065   6.381
  154    HG   LEU  20           HG       LEU  20   7.881   8.128   7.901
  155   HD11  LEU  20          HD11      LEU  20   8.308   8.232   4.919
  156   HD12  LEU  20          HD12      LEU  20   6.784   8.398   5.812
  157   HD13  LEU  20          HD13      LEU  20   8.016   9.659   5.944
  158   HD21  LEU  20          HD21      LEU  20   9.018   6.039   5.995
  159   HD22  LEU  20          HD22      LEU  20   8.607   5.813   7.710
  160   HD23  LEU  20          HD23      LEU  20   7.326   6.107   6.541
  161    H    LYS  21           H        LYS  21  11.776   9.712   9.730
  162    HA   LYS  21           HA       LYS  21  14.437   9.258   8.770
  163    HB2  LYS  21           HB2      LYS  21  13.758  11.396   9.768
  164    HB3  LYS  21           HB3      LYS  21  13.491  10.614  11.329
  165    HG2  LYS  21           HG2      LYS  21  15.564  11.886  11.291
  166    HG3  LYS  21           HG3      LYS  21  15.883  10.177  11.575
  167    HD2  LYS  21           HD2      LYS  21  16.659   9.881   9.268
  168    HD3  LYS  21           HD3      LYS  21  16.160  11.543   8.858
  169    HE2  LYS  21           HE2      LYS  21  17.776  12.413  10.551
  170    HE3  LYS  21           HE3      LYS  21  18.286  10.758  10.907
  171    HZ1  LYS  21           HZ1      LYS  21  18.595  12.121   8.290
  172    HZ2  LYS  21           HZ2      LYS  21  19.786  11.835   9.358
  173    HZ3  LYS  21           HZ3      LYS  21  19.067  10.585   8.604
  174    H    GLU  22           H        GLU  22  12.705   7.913  11.660
  175    HA   GLU  22           HA       GLU  22  14.999   6.574  12.657
  176    HB2  GLU  22           HB2      GLU  22  12.702   6.918  13.797
  177    HB3  GLU  22           HB3      GLU  22  12.176   5.497  12.892
  178    HG2  GLU  22           HG2      GLU  22  12.835   4.663  14.982
  179    HG3  GLU  22           HG3      GLU  22  14.182   4.260  13.926
  180    H    GLU  23           H        GLU  23  12.462   5.492  10.334
  181    HA   GLU  23           HA       GLU  23  13.584   2.974   9.773
  182    HB2  GLU  23           HB2      GLU  23  11.895   4.794   8.033
  183    HB3  GLU  23           HB3      GLU  23  12.427   3.174   7.559
  184    HG2  GLU  23           HG2      GLU  23  11.326   2.178   9.508
  185    HG3  GLU  23           HG3      GLU  23  10.765   3.769  10.025
  186    H    ALA  24           H        ALA  24  14.616   6.163   8.572
  187    HA   ALA  24           HA       ALA  24  16.251   5.267   6.457
  188    HB1  ALA  24           HB1      ALA  24  16.966   7.601   8.262
  189    HB2  ALA  24           HB2      ALA  24  17.308   7.392   6.541
  190    HB3  ALA  24           HB3      ALA  24  15.642   7.683   7.086
  191    H    LYS  25           H        LYS  25  16.744   4.890   9.907
  192    HA   LYS  25           HA       LYS  25  19.528   3.892   9.389
  193    HB2  LYS  25           HB2      LYS  25  18.163   4.441  12.059
  194    HB3  LYS  25           HB3      LYS  25  19.746   3.737  11.827
  195    HG2  LYS  25           HG2      LYS  25  20.289   5.902  12.333
  196    HG3  LYS  25           HG3      LYS  25  20.447   5.857  10.589
  197    HD2  LYS  25           HD2      LYS  25  19.410   7.954  11.455
  198    HD3  LYS  25           HD3      LYS  25  18.386   7.117  10.303
  199    HE2  LYS  25           HE2      LYS  25  17.040   7.946  12.144
  200    HE3  LYS  25           HE3      LYS  25  17.015   6.190  12.108
  201    HZ1  LYS  25           HZ1      LYS  25  17.256   6.845  14.327
  202    HZ2  LYS  25           HZ2      LYS  25  18.726   6.274  13.918
  203    HZ3  LYS  25           HZ3      LYS  25  18.494   7.894  14.024
  204    H    LYS  26           H        LYS  26  16.215   2.969  10.418
  205    HA   LYS  26           HA       LYS  26  16.995   0.396  11.413
  206    HB2  LYS  26           HB2      LYS  26  14.802   1.731  11.799
  207    HB3  LYS  26           HB3      LYS  26  14.267   1.040  10.251
  208    HG2  LYS  26           HG2      LYS  26  14.558  -1.239  11.152
  209    HG3  LYS  26           HG3      LYS  26  15.160  -0.568  12.681
  210    HD2  LYS  26           HD2      LYS  26  12.980   0.564  13.040
  211    HD3  LYS  26           HD3      LYS  26  12.380  -0.102  11.504
  212    HE2  LYS  26           HE2      LYS  26  12.736  -2.406  12.371
  213    HE3  LYS  26           HE3      LYS  26  13.335  -1.744  13.897
  214    HZ1  LYS  26           HZ1      LYS  26  11.014  -2.374  14.058
  215    HZ2  LYS  26           HZ2      LYS  26  11.143  -0.764  14.257
  216    HZ3  LYS  26           HZ3      LYS  26  10.588  -1.376  12.844
  217    H    ALA  27           H        ALA  27  16.329   1.586   8.162
  218    HA   ALA  27           HA       ALA  27  16.866  -1.080   6.979
  219    HB1  ALA  27           HB1      ALA  27  14.406  -0.763   7.168
  220    HB2  ALA  27           HB2      ALA  27  14.539   0.790   6.313
  221    HB3  ALA  27           HB3      ALA  27  14.935  -0.732   5.484
  222    H    ASN  28           H        ASN  28  16.802  -0.557   4.392
  223    HA   ASN  28           HA       ASN  28  19.123   1.236   4.058
  224    HB2  ASN  28           HB2      ASN  28  19.044  -1.217   3.340
  225    HB3  ASN  28           HB3      ASN  28  17.823  -0.731   2.157
  226   HD21  ASN  28          HD21      ASN  28  19.049  -1.154   0.246
  227   HD22  ASN  28          HD22      ASN  28  20.525  -0.310  -0.133
  228    H    ILE  29           H        ILE  29  16.051   1.993   4.099
  229    HA   ILE  29           HA       ILE  29  15.258   2.633   1.467
  230    HB   ILE  29           HB       ILE  29  13.488   3.908   2.553
  231   HG12  ILE  29          HG12      ILE  29  14.642   3.140   5.262
  232   HG13  ILE  29          HG13      ILE  29  15.012   4.707   4.528
  233   HG21  ILE  29          HG21      ILE  29  13.172   1.497   2.347
  234   HG22  ILE  29          HG22      ILE  29  14.058   1.218   3.854
  235   HG23  ILE  29          HG23      ILE  29  12.488   2.026   3.870
  236   HD11  ILE  29          HD11      ILE  29  12.262   3.703   5.331
  237   HD12  ILE  29          HD12      ILE  29  13.202   5.030   6.040
  238   HD13  ILE  29          HD13      ILE  29  12.547   5.184   4.396
  239    H    ARG  30           H        ARG  30  14.815   4.715   0.506
  240    HA   ARG  30           HA       ARG  30  17.003   6.667   1.084
  241    HB2  ARG  30           HB2      ARG  30  16.835   7.356  -1.252
  242    HB3  ARG  30           HB3      ARG  30  17.409   5.713  -1.053
  243    HG2  ARG  30           HG2      ARG  30  15.624   4.760  -2.109
  244    HG3  ARG  30           HG3      ARG  30  14.455   5.937  -1.525
  245    HD2  ARG  30           HD2      ARG  30  16.526   6.537  -3.666
  246    HD3  ARG  30           HD3      ARG  30  14.854   6.046  -3.986
  247    HE   ARG  30           HE       ARG  30  14.786   8.245  -2.205
  248   HH11  ARG  30          HH11      ARG  30  15.576   7.562  -5.602
  249   HH12  ARG  30          HH12      ARG  30  15.185   9.143  -6.166
  250   HH21  ARG  30          HH22      ARG  30  14.265  10.352  -2.941
  251   HH22  ARG  30          HH21      ARG  30  14.430  10.773  -4.617
  252    H    VAL  31           H        VAL  31  15.728   7.453   2.753
  253    HA   VAL  31           HA       VAL  31  13.155   8.570   2.417
  254    HB   VAL  31           HB       VAL  31  13.660   9.923   4.421
  255   HG11  VAL  31          HG11      VAL  31  13.737   8.079   5.936
  256   HG12  VAL  31          HG12      VAL  31  12.874   7.524   4.510
  257   HG13  VAL  31          HG13      VAL  31  14.562   7.035   4.762
  258   HG21  VAL  31          HG21      VAL  31  16.081  10.368   4.099
  259   HG22  VAL  31          HG22      VAL  31  15.741   9.641   5.669
  260   HG23  VAL  31          HG23      VAL  31  16.437   8.648   4.370
  261    H    THR  32           H        THR  32  12.404  10.555   1.851
  262    HA   THR  32           HA       THR  32  14.213  12.596   0.724
  263    HB   THR  32           HB       THR  32  11.868  11.388  -0.814
  264    HG1  THR  32           HG1      THR  32  13.656   9.898  -0.585
  265   HG21  THR  32          HG21      THR  32  12.859  12.568  -2.737
  266   HG22  THR  32          HG22      THR  32  12.491  13.710  -1.438
  267   HG23  THR  32          HG23      THR  32  14.169  13.187  -1.705
  268    H    PHE  33           H        PHE  33  13.475  14.484   1.622
  269    HA   PHE  33           HA       PHE  33  10.764  14.443   2.883
  270    HB2  PHE  33           HB2      PHE  33  13.310  15.876   3.729
  271    HB3  PHE  33           HB3      PHE  33  11.766  15.920   4.562
  272    HD1  PHE  33           HD2      PHE  33  10.797  13.414   5.081
  273    HD2  PHE  33           HD1      PHE  33  14.951  14.445   4.684
  274    HE1  PHE  33           HE2      PHE  33  11.370  11.586   6.630
  275    HE2  PHE  33           HE1      PHE  33  15.549  12.540   6.158
  276    HZ   PHE  33           HZ       PHE  33  13.763  11.120   7.160
  277    H    TRP  34           H        TRP  34   9.361  15.685   1.772
  278    HA   TRP  34           HA       TRP  34  10.288  17.933   0.101
  279    HB2  TRP  34           HB2      TRP  34   7.626  16.549   0.587
  280    HB3  TRP  34           HB3      TRP  34   7.687  18.136  -0.153
  281    HD1  TRP  34           HD1      TRP  34   8.189  18.318  -2.615
  282    HE1  TRP  34           HE1      TRP  34   8.912  16.764  -4.506
  283    HE3  TRP  34           HE3      TRP  34   8.922  14.039   0.105
  284    HZ2  TRP  34           HZ2      TRP  34   9.771  14.003  -4.798
  285    HZ3  TRP  34           HZ3      TRP  34   9.703  11.984  -0.997
  286    HH2  TRP  34           HH2      TRP  34  10.123  11.937  -3.446
  287    H    GLY  35           H        GLY  35   9.544  20.083   0.420
  288    HA2  GLY  35           HA2      GLY  35   9.027  20.915   3.210
  289    HA3  GLY  35           HA3      GLY  35   9.382  21.958   1.821
  290    H    ASP  36           H        ASP  36   7.006  19.306   2.156
  291    HA   ASP  36           HA       ASP  36   5.026  20.526   0.547
  292    HB2  ASP  36           HB2      ASP  36   5.086  18.141   0.794
  293    HB3  ASP  36           HB3      ASP  36   4.875  18.253   2.542
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   7.785  -8.136  -7.763
    2    H2   GLY   1           H2       GLY   1   8.098  -7.864  -9.350
    3    H3   GLY   1           H3       GLY   1   7.224  -6.779  -8.486
    4    HA2  GLY   1           HA2      GLY   1  10.061  -7.422  -8.052
    5    HA3  GLY   1           HA3      GLY   1   9.448  -5.959  -8.834
    6    H    SER   2           H        SER   2  10.411  -7.329  -5.876
    7    HA   SER   2           HA       SER   2   9.426  -5.029  -4.305
    8    HB2  SER   2           HB2      SER   2   9.087  -7.936  -3.440
    9    HB3  SER   2           HB3      SER   2   8.625  -6.496  -2.521
   10    HG   SER   2           HG       SER   2   6.846  -7.469  -3.584
   11    H    GLY   3           H        GLY   3  10.609  -4.945  -2.174
   12    HA2  GLY   3           HA2      GLY   3  12.849  -6.538  -1.535
   13    HA3  GLY   3           HA3      GLY   3  13.401  -5.125  -2.457
   14    H    GLN   4           H        GLN   4  14.373  -5.076  -0.035
   15    HA   GLN   4           HA       GLN   4  12.714  -4.018   2.041
   16    HB2  GLN   4           HB2      GLN   4  14.942  -5.143   2.327
   17    HB3  GLN   4           HB3      GLN   4  15.723  -3.720   1.625
   18    HG2  GLN   4           HG2      GLN   4  14.858  -2.337   3.521
   19    HG3  GLN   4           HG3      GLN   4  14.037  -3.758   4.168
   20   HE21  GLN   4          HE21      GLN   4  15.158  -4.494   5.965
   21   HE22  GLN   4          HE22      GLN   4  16.895  -4.577   6.092
   22    H    VAL   5           H        VAL   5  14.538  -2.504  -0.620
   23    HA   VAL   5           HA       VAL   5  14.514   0.151   0.371
   24    HB   VAL   5           HB       VAL   5  16.008  -0.794  -1.375
   25   HG11  VAL   5          HG11      VAL   5  15.357  -0.852  -3.714
   26   HG12  VAL   5          HG12      VAL   5  14.341  -1.967  -2.788
   27   HG13  VAL   5          HG13      VAL   5  13.692  -0.398  -3.308
   28   HG21  VAL   5          HG21      VAL   5  14.611   1.769  -2.222
   29   HG22  VAL   5          HG22      VAL   5  15.871   1.624  -0.968
   30   HG23  VAL   5          HG23      VAL   5  16.248   1.244  -2.652
   31    H    ARG   6           H        ARG   6  13.298   1.948  -0.163
   32    HA   ARG   6           HA       ARG   6  10.599   1.613  -1.266
   33    HB2  ARG   6           HB2      ARG   6   9.488   2.364   0.779
   34    HB3  ARG   6           HB3      ARG   6  10.389   0.892   1.081
   35    HG2  ARG   6           HG2      ARG   6  12.293   2.628   1.898
   36    HG3  ARG   6           HG3      ARG   6  10.916   3.712   2.050
   37    HD2  ARG   6           HD2      ARG   6  11.327   2.654   4.182
   38    HD3  ARG   6           HD3      ARG   6   9.806   2.009   3.540
   39    HE   ARG   6           HE       ARG   6  11.783   0.254   2.645
   40   HH11  ARG   6          HH11      ARG   6  10.632   1.303   5.880
   41   HH12  ARG   6          HH12      ARG   6  11.018  -0.223   6.603
   42   HH21  ARG   6          HH22      ARG   6  12.280  -1.655   3.606
   43   HH22  ARG   6          HH21      ARG   6  11.976  -1.959   5.295
   44    H    THR   7           H        THR   7   9.467   3.830  -1.103
   45    HA   THR   7           HA       THR   7  11.273   6.147  -0.993
   46    HB   THR   7           HB       THR   7   9.444   5.432  -3.342
   47    HG1  THR   7           HG1      THR   7  11.501   4.618  -3.548
   48   HG21  THR   7          HG21      THR   7   9.046   7.767  -2.996
   49   HG22  THR   7          HG22      THR   7  10.771   8.097  -2.734
   50   HG23  THR   7          HG23      THR   7  10.174   7.612  -4.340
   51    H    ILE   8           H        ILE   8  10.108   8.039  -0.563
   52    HA   ILE   8           HA       ILE   8   7.462   7.668   0.741
   53    HB   ILE   8           HB       ILE   8   8.203   8.718   2.738
   54   HG12  ILE   8          HG12      ILE   8  10.886   9.349   1.483
   55   HG13  ILE   8          HG13      ILE   8   9.563  10.505   1.685
   56   HG21  ILE   8          HG21      ILE   8  10.651   7.043   2.055
   57   HG22  ILE   8          HG22      ILE   8   9.855   7.213   3.622
   58   HG23  ILE   8          HG23      ILE   8   9.049   6.295   2.355
   59   HD11  ILE   8          HD11      ILE   8  11.069  10.808   3.527
   60   HD12  ILE   8          HD12      ILE   8   9.530  10.122   4.088
   61   HD13  ILE   8          HD13      ILE   8  10.967   9.099   3.974
   62    H    TRP   9           H        TRP   9   6.435   9.905   1.150
   63    HA   TRP   9           HA       TRP   9   7.547  12.084  -0.448
   64    HB2  TRP   9           HB2      TRP   9   5.694  10.374  -1.666
   65    HB3  TRP   9           HB3      TRP   9   4.716  11.730  -1.184
   66    HD1  TRP   9           HD1      TRP   9   7.169  10.591  -3.709
   67    HE1  TRP   9           HE1      TRP   9   7.718  12.419  -5.407
   68    HE3  TRP   9           HE3      TRP   9   5.272  14.625  -1.184
   69    HZ2  TRP   9           HZ2      TRP   9   7.413  15.302  -5.624
   70    HZ3  TRP   9           HZ3      TRP   9   5.556  16.902  -2.076
   71    HH2  TRP   9           HH2      TRP   9   6.582  17.259  -4.320
   72    H    VAL  10           H        VAL  10   7.446  11.873   2.306
   73    HA   VAL  10           HA       VAL  10   5.064  13.194   3.326
   74    HB   VAL  10           HB       VAL  10   6.327  13.412   5.417
   75   HG11  VAL  10          HG11      VAL  10   6.522  10.604   4.253
   76   HG12  VAL  10          HG12      VAL  10   6.374  11.064   5.963
   77   HG13  VAL  10          HG13      VAL  10   5.031  11.362   4.858
   78   HG21  VAL  10          HG21      VAL  10   8.533  12.237   5.652
   79   HG22  VAL  10          HG22      VAL  10   8.649  12.159   3.883
   80   HG23  VAL  10          HG23      VAL  10   8.600  13.728   4.699
   81    H    GLY  11           H        GLY  11   4.803  15.271   3.869
   82    HA2  GLY  11           HA2      GLY  11   6.733  17.318   3.956
   83    HA3  GLY  11           HA3      GLY  11   5.811  17.443   2.436
   84    H    GLY  12           H        GLY  12   5.666  19.238   4.841
   85    HA2  GLY  12           HA2      GLY  12   4.246  20.118   6.380
   86    HA3  GLY  12           HA3      GLY  12   2.932  19.575   5.324
   87    H    THR  13           H        THR  13   5.128  17.220   6.814
   88    HA   THR  13           HA       THR  13   3.095  16.375   8.790
   89    HB   THR  13           HB       THR  13   3.615  13.972   7.757
   90    HG1  THR  13           HG1      THR  13   3.642  15.645   5.473
   91   HG21  THR  13          HG21      THR  13   1.562  14.091   6.458
   92   HG22  THR  13          HG22      THR  13   1.372  14.941   7.998
   93   HG23  THR  13          HG23      THR  13   1.598  15.868   6.498
   94    HA   PRO  14           HA       PRO  14   7.605  16.295  10.043
   95    HB2  PRO  14           HB3      PRO  14   7.404  17.652  12.433
   96    HB3  PRO  14           HB2      PRO  14   7.652  18.431  10.842
   97    HG2  PRO  14           HG2      PRO  14   5.042  18.029  12.332
   98    HG3  PRO  14           HG3      PRO  14   5.654  19.524  11.553
   99    HD2  PRO  14           HD2      PRO  14   3.879  17.905  10.297
  100    HD3  PRO  14           HD3      PRO  14   5.209  18.684   9.388
  101    H    GLU  15           H        GLU  15   4.601  15.437  11.674
  102    HA   GLU  15           HA       GLU  15   5.724  13.862  13.759
  103    HB2  GLU  15           HB2      GLU  15   3.478  13.022  14.074
  104    HB3  GLU  15           HB3      GLU  15   3.453  14.766  13.820
  105    HG2  GLU  15           HG2      GLU  15   2.802  14.359  11.413
  106    HG3  GLU  15           HG3      GLU  15   2.725  12.631  11.767
  107    H    GLU  16           H        GLU  16   5.455  13.248  10.329
  108    HA   GLU  16           HA       GLU  16   5.512  10.313  10.673
  109    HB2  GLU  16           HB2      GLU  16   5.566  12.065   8.188
  110    HB3  GLU  16           HB3      GLU  16   5.478  10.299   8.190
  111    HG2  GLU  16           HG2      GLU  16   3.442  12.090   9.561
  112    HG3  GLU  16           HG3      GLU  16   3.274  11.524   7.901
  113    H    LEU  17           H        LEU  17   7.682  13.001  10.107
  114    HA   LEU  17           HA       LEU  17  10.019  11.597   9.230
  115    HB2  LEU  17           HB2      LEU  17   9.914  13.887  11.238
  116    HB3  LEU  17           HB3      LEU  17  11.287  13.403  10.260
  117    HG   LEU  17           HG       LEU  17   8.698  14.588   9.168
  118   HD11  LEU  17          HD11      LEU  17  11.451  15.854   9.517
  119   HD12  LEU  17          HD12      LEU  17  10.025  16.621   8.785
  120   HD13  LEU  17          HD13      LEU  17  10.019  16.204  10.507
  121   HD21  LEU  17          HD21      LEU  17  11.336  13.990   7.781
  122   HD22  LEU  17          HD22      LEU  17   9.952  14.844   7.060
  123   HD23  LEU  17          HD23      LEU  17   9.793  13.143   7.518
  124    H    LYS  18           H        LYS  18   8.266  11.708  12.298
  125    HA   LYS  18           HA       LYS  18  10.466  10.858  13.966
  126    HB2  LYS  18           HB2      LYS  18   7.500  10.405  14.481
  127    HB3  LYS  18           HB3      LYS  18   8.795  10.420  15.670
  128    HG2  LYS  18           HG2      LYS  18   7.763  12.801  14.081
  129    HG3  LYS  18           HG3      LYS  18   7.510  12.474  15.792
  130    HD2  LYS  18           HD2      LYS  18   9.972  12.751  16.189
  131    HD3  LYS  18           HD3      LYS  18  10.195  13.073  14.465
  132    HE2  LYS  18           HE2      LYS  18  10.169  15.189  15.516
  133    HE3  LYS  18           HE3      LYS  18   8.648  15.030  14.635
  134    HZ1  LYS  18           HZ1      LYS  18   8.993  14.646  17.561
  135    HZ2  LYS  18           HZ2      LYS  18   8.328  15.950  16.852
  136    HZ3  LYS  18           HZ3      LYS  18   7.568  14.513  16.766
  137    H    LYS  19           H        LYS  19   8.427   9.087  11.746
  138    HA   LYS  19           HA       LYS  19   9.367   6.485  12.890
  139    HB2  LYS  19           HB2      LYS  19   7.325   6.926  10.661
  140    HB3  LYS  19           HB3      LYS  19   7.766   5.421  11.447
  141    HG2  LYS  19           HG2      LYS  19   5.806   5.833  12.524
  142    HG3  LYS  19           HG3      LYS  19   6.912   6.622  13.654
  143    HD2  LYS  19           HD2      LYS  19   6.371   8.826  12.601
  144    HD3  LYS  19           HD3      LYS  19   5.329   8.000  11.426
  145    HE2  LYS  19           HE2      LYS  19   3.877   7.212  13.268
  146    HE3  LYS  19           HE3      LYS  19   4.925   8.014  14.448
  147    HZ1  LYS  19           HZ1      LYS  19   3.414   9.387  12.291
  148    HZ2  LYS  19           HZ2      LYS  19   3.015   9.388  13.890
  149    HZ3  LYS  19           HZ3      LYS  19   4.393  10.127  13.370
  150    H    LEU  20           H        LEU  20   9.218   8.455   9.867
  151    HA   LEU  20           HA       LEU  20  10.612   6.445   8.388
  152    HB2  LEU  20           HB2      LEU  20  10.126   9.368   7.715
  153    HB3  LEU  20           HB3      LEU  20  10.676   8.129   6.581
  154    HG   LEU  20           HG       LEU  20   7.989   8.164   8.039
  155   HD11  LEU  20          HD11      LEU  20   8.289   9.783   6.163
  156   HD12  LEU  20          HD12      LEU  20   8.531   8.387   5.083
  157   HD13  LEU  20          HD13      LEU  20   6.990   8.594   5.931
  158   HD21  LEU  20          HD21      LEU  20   8.603   5.830   7.756
  159   HD22  LEU  20          HD22      LEU  20   7.392   6.241   6.548
  160   HD23  LEU  20          HD23      LEU  20   9.100   6.116   6.072
  161    H    LYS  21           H        LYS  21  11.876   9.261  10.228
  162    HA   LYS  21           HA       LYS  21  14.570   8.955   9.225
  163    HB2  LYS  21           HB2      LYS  21  13.429   9.995  11.856
  164    HB3  LYS  21           HB3      LYS  21  15.153   9.836  11.620
  165    HG2  LYS  21           HG2      LYS  21  13.418  11.486   9.740
  166    HG3  LYS  21           HG3      LYS  21  14.205  12.126  11.190
  167    HD2  LYS  21           HD2      LYS  21  16.441  11.322  10.277
  168    HD3  LYS  21           HD3      LYS  21  15.607  10.852   8.796
  169    HE2  LYS  21           HE2      LYS  21  16.572  12.982   8.369
  170    HE3  LYS  21           HE3      LYS  21  14.828  13.217   8.492
  171    HZ1  LYS  21           HZ1      LYS  21  15.185  14.055  10.758
  172    HZ2  LYS  21           HZ2      LYS  21  16.800  13.816  10.630
  173    HZ3  LYS  21           HZ3      LYS  21  16.062  14.917   9.690
  174    H    GLU  22           H        GLU  22  12.688   7.206  11.742
  175    HA   GLU  22           HA       GLU  22  14.981   5.829  12.769
  176    HB2  GLU  22           HB2      GLU  22  12.717   6.039  13.921
  177    HB3  GLU  22           HB3      GLU  22  12.120   4.790  12.812
  178    HG2  GLU  22           HG2      GLU  22  13.992   3.288  13.590
  179    HG3  GLU  22           HG3      GLU  22  14.444   4.519  14.769
  180    H    GLU  23           H        GLU  23  12.539   4.985  10.235
  181    HA   GLU  23           HA       GLU  23  13.678   2.476   9.526
  182    HB2  GLU  23           HB2      GLU  23  12.136   4.494   7.828
  183    HB3  GLU  23           HB3      GLU  23  12.555   2.849   7.321
  184    HG2  GLU  23           HG2      GLU  23  11.274   1.907   9.200
  185    HG3  GLU  23           HG3      GLU  23  10.846   3.531   9.743
  186    H    ALA  24           H        ALA  24  14.440   5.761   8.297
  187    HA   ALA  24           HA       ALA  24  16.376   4.930   6.387
  188    HB1  ALA  24           HB1      ALA  24  15.231   7.153   6.476
  189    HB2  ALA  24           HB2      ALA  24  16.201   7.568   7.906
  190    HB3  ALA  24           HB3      ALA  24  16.994   7.289   6.344
  191    H    LYS  25           H        LYS  25  16.604   4.680   9.746
  192    HA   LYS  25           HA       LYS  25  19.597   4.652   9.666
  193    HB2  LYS  25           HB2      LYS  25  17.687   5.399  11.918
  194    HB3  LYS  25           HB3      LYS  25  19.433   5.198  12.112
  195    HG2  LYS  25           HG2      LYS  25  19.911   7.066  10.645
  196    HG3  LYS  25           HG3      LYS  25  18.238   7.179  10.117
  197    HD2  LYS  25           HD2      LYS  25  18.608   8.977  11.617
  198    HD3  LYS  25           HD3      LYS  25  17.540   7.822  12.417
  199    HE2  LYS  25           HE2      LYS  25  19.474   6.886  13.678
  200    HE3  LYS  25           HE3      LYS  25  20.560   8.012  12.854
  201    HZ1  LYS  25           HZ1      LYS  25  19.939   8.818  15.039
  202    HZ2  LYS  25           HZ2      LYS  25  19.364   9.839  13.911
  203    HZ3  LYS  25           HZ3      LYS  25  18.353   8.799  14.670
  204    H    LYS  26           H        LYS  26  16.614   2.949  10.484
  205    HA   LYS  26           HA       LYS  26  17.828   0.702  11.830
  206    HB2  LYS  26           HB2      LYS  26  15.390   1.437  11.869
  207    HB3  LYS  26           HB3      LYS  26  15.244   0.838  10.206
  208    HG2  LYS  26           HG2      LYS  26  15.941  -1.443  11.059
  209    HG3  LYS  26           HG3      LYS  26  15.912  -0.792  12.699
  210    HD2  LYS  26           HD2      LYS  26  13.584  -1.036  10.748
  211    HD3  LYS  26           HD3      LYS  26  13.826  -1.995  12.200
  212    HE2  LYS  26           HE2      LYS  26  13.280   1.013  12.137
  213    HE3  LYS  26           HE3      LYS  26  12.069  -0.231  12.424
  214    HZ1  LYS  26           HZ1      LYS  26  14.405   0.215  14.187
  215    HZ2  LYS  26           HZ2      LYS  26  12.897   0.788  14.462
  216    HZ3  LYS  26           HZ3      LYS  26  13.171  -0.831  14.452
  217    H    ALA  27           H        ALA  27  16.972   1.532   8.446
  218    HA   ALA  27           HA       ALA  27  18.870  -0.549   7.490
  219    HB1  ALA  27           HB1      ALA  27  16.579  -1.461   7.250
  220    HB2  ALA  27           HB2      ALA  27  16.075   0.004   6.380
  221    HB3  ALA  27           HB3      ALA  27  17.282  -1.094   5.667
  222    H    ASN  28           H        ASN  28  19.471  -0.084   5.199
  223    HA   ASN  28           HA       ASN  28  20.415   2.639   4.999
  224    HB2  ASN  28           HB2      ASN  28  21.639   0.475   4.346
  225    HB3  ASN  28           HB3      ASN  28  20.558   0.403   2.944
  226   HD21  ASN  28          HD21      ASN  28  22.043   0.816   1.255
  227   HD22  ASN  28          HD22      ASN  28  23.027   2.251   1.164
  228    H    ILE  29           H        ILE  29  17.373   1.870   4.494
  229    HA   ILE  29           HA       ILE  29  16.908   2.127   1.729
  230    HB   ILE  29           HB       ILE  29  14.540   2.276   2.340
  231   HG12  ILE  29          HG12      ILE  29  13.896   1.735   4.736
  232   HG13  ILE  29          HG13      ILE  29  15.499   2.227   5.254
  233   HG21  ILE  29          HG21      ILE  29  16.074   0.134   3.884
  234   HG22  ILE  29          HG22      ILE  29  14.436   0.017   3.231
  235   HG23  ILE  29          HG23      ILE  29  15.825   0.129   2.137
  236   HD11  ILE  29          HD11      ILE  29  15.035   4.533   4.606
  237   HD12  ILE  29          HD12      ILE  29  13.504   4.049   3.836
  238   HD13  ILE  29          HD13      ILE  29  13.715   3.937   5.595
  239    H    ARG  30           H        ARG  30  15.748   3.695   0.551
  240    HA   ARG  30           HA       ARG  30  16.874   6.342   0.867
  241    HB2  ARG  30           HB2      ARG  30  16.704   5.358  -1.305
  242    HB3  ARG  30           HB3      ARG  30  15.000   4.988  -1.128
  243    HG2  ARG  30           HG2      ARG  30  15.906   7.878  -1.074
  244    HG3  ARG  30           HG3      ARG  30  15.831   7.003  -2.602
  245    HD2  ARG  30           HD2      ARG  30  13.474   6.483  -2.292
  246    HD3  ARG  30           HD3      ARG  30  13.453   7.267  -0.717
  247    HE   ARG  30           HE       ARG  30  13.799   9.404  -1.723
  248   HH11  ARG  30          HH11      ARG  30  12.823   6.939  -4.102
  249   HH12  ARG  30          HH12      ARG  30  12.904   8.037  -5.436
  250   HH21  ARG  30          HH22      ARG  30  13.633  10.833  -3.334
  251   HH22  ARG  30          HH21      ARG  30  13.233  10.377  -4.969
  252    H    VAL  31           H        VAL  31  15.831   8.220   1.382
  253    HA   VAL  31           HA       VAL  31  12.945   8.336   1.785
  254    HB   VAL  31           HB       VAL  31  13.239   9.619   3.919
  255   HG11  VAL  31          HG11      VAL  31  13.224   7.720   5.385
  256   HG12  VAL  31          HG12      VAL  31  12.471   7.217   3.866
  257   HG13  VAL  31          HG13      VAL  31  14.136   6.731   4.227
  258   HG21  VAL  31          HG21      VAL  31  16.022   8.358   4.038
  259   HG22  VAL  31          HG22      VAL  31  15.678  10.087   3.808
  260   HG23  VAL  31          HG23      VAL  31  15.227   9.290   5.315
  261    H    THR  32           H        THR  32  12.215  10.480   1.538
  262    HA   THR  32           HA       THR  32  14.195  12.599   0.998
  263    HB   THR  32           HB       THR  32  12.017  11.908  -1.021
  264    HG1  THR  32           HG1      THR  32  14.798  11.420  -1.009
  265   HG21  THR  32          HG21      THR  32  14.304  13.930  -1.129
  266   HG22  THR  32          HG22      THR  32  13.207  13.536  -2.472
  267   HG23  THR  32          HG23      THR  32  12.570  14.310  -1.017
  268    H    PHE  33           H        PHE  33  13.452  14.525   1.801
  269    HA   PHE  33           HA       PHE  33  10.739  14.472   3.055
  270    HB2  PHE  33           HB2      PHE  33  13.320  15.699   4.105
  271    HB3  PHE  33           HB3      PHE  33  11.767  15.653   4.921
  272    HD1  PHE  33           HD1      PHE  33  10.778  13.091   5.062
  273    HD2  PHE  33           HD2      PHE  33  14.935  14.182   4.918
  274    HE1  PHE  33           HE1      PHE  33  11.349  11.026   6.302
  275    HE2  PHE  33           HE2      PHE  33  15.518  12.090   6.115
  276    HZ   PHE  33           HZ       PHE  33  13.716  10.530   6.863
  277    H    TRP  34           H        TRP  34   9.513  15.794   1.772
  278    HA   TRP  34           HA       TRP  34  10.620  18.275   0.638
  279    HB2  TRP  34           HB2      TRP  34   7.877  16.953   0.632
  280    HB3  TRP  34           HB3      TRP  34   8.133  18.584   0.052
  281    HD1  TRP  34           HD1      TRP  34   9.226  18.942  -2.253
  282    HE1  TRP  34           HE1      TRP  34  10.053  17.464  -4.153
  283    HE3  TRP  34           HE3      TRP  34   8.919  14.369   0.077
  284    HZ2  TRP  34           HZ2      TRP  34  10.624  14.656  -4.593
  285    HZ3  TRP  34           HZ3      TRP  34   9.676  12.335  -1.097
  286    HH2  TRP  34           HH2      TRP  34  10.511  12.454  -3.428
  287    H    GLY  35           H        GLY  35   9.827  20.379   1.287
  288    HA2  GLY  35           HA2      GLY  35   9.355  20.769   4.124
  289    HA3  GLY  35           HA3      GLY  35   9.213  21.983   2.830
  290    H    ASP  36           H        ASP  36   7.369  21.013   1.126
  291    HA   ASP  36           HA       ASP  36   5.132  19.639   2.256
  292    HB2  ASP  36           HB2      ASP  36   4.470  21.815   3.124
  293    HB3  ASP  36           HB3      ASP  36   4.887  22.606   1.600
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  24.116  -7.880  -1.323
    2    H2   GLY   1           H2       GLY   1  22.795  -7.233  -2.048
    3    H3   GLY   1           H3       GLY   1  22.702  -7.758  -0.500
    4    HA2  GLY   1           HA2      GLY   1  24.239  -6.073   0.237
    5    HA3  GLY   1           HA3      GLY   1  24.334  -5.496  -1.433
    6    H    SER   2           H        SER   2  22.995  -3.814  -1.940
    7    HA   SER   2           HA       SER   2  21.174  -2.654  -0.159
    8    HB2  SER   2           HB2      SER   2  21.220  -2.414  -3.195
    9    HB3  SER   2           HB3      SER   2  20.617  -1.218  -2.035
   10    HG   SER   2           HG       SER   2  22.739  -0.737  -2.779
   11    H    GLY   3           H        GLY   3  18.880  -2.532  -0.131
   12    HA2  GLY   3           HA2      GLY   3  17.075  -3.820  -1.872
   13    HA3  GLY   3           HA3      GLY   3  17.434  -4.924  -0.531
   14    H    GLN   4           H        GLN   4  15.013  -4.426  -0.346
   15    HA   GLN   4           HA       GLN   4  13.324  -3.781   0.891
   16    HB2  GLN   4           HB2      GLN   4  14.959  -4.360   2.645
   17    HB3  GLN   4           HB3      GLN   4  15.447  -2.674   2.764
   18    HG2  GLN   4           HG2      GLN   4  13.996  -3.362   4.607
   19    HG3  GLN   4           HG3      GLN   4  13.286  -2.050   3.699
   20   HE21  GLN   4          HE21      GLN   4  11.459  -2.525   2.265
   21   HE22  GLN   4          HE22      GLN   4  10.448  -3.933   2.568
   22    H    VAL   5           H        VAL   5  15.138  -1.261  -0.536
   23    HA   VAL   5           HA       VAL   5  14.124   1.048   0.510
   24    HB   VAL   5           HB       VAL   5  14.607   2.073  -1.636
   25   HG11  VAL   5          HG11      VAL   5  16.713  -0.040  -1.056
   26   HG12  VAL   5          HG12      VAL   5  16.946   1.534  -1.828
   27   HG13  VAL   5          HG13      VAL   5  16.493   1.458  -0.124
   28   HG21  VAL   5          HG21      VAL   5  14.938  -0.735  -2.778
   29   HG22  VAL   5          HG22      VAL   5  13.697   0.455  -3.229
   30   HG23  VAL   5          HG23      VAL   5  15.394   0.779  -3.586
   31    H    ARG   6           H        ARG   6  12.324   2.317   0.362
   32    HA   ARG   6           HA       ARG   6  10.081   1.276  -1.336
   33    HB2  ARG   6           HB2      ARG   6   9.757   2.731   1.312
   34    HB3  ARG   6           HB3      ARG   6   8.502   1.985   0.321
   35    HG2  ARG   6           HG2      ARG   6   9.726  -0.256   0.738
   36    HG3  ARG   6           HG3      ARG   6  10.639   0.604   1.988
   37    HD2  ARG   6           HD2      ARG   6   7.628   0.188   1.843
   38    HD3  ARG   6           HD3      ARG   6   8.730  -0.557   2.989
   39    HE   ARG   6           HE       ARG   6   7.697   2.209   2.964
   40   HH11  ARG   6          HH22      ARG   6   9.867  -0.087   4.614
   41   HH12  ARG   6          HH21      ARG   6   9.914   0.842   6.091
   42   HH21  ARG   6          HH11      ARG   6   7.811   3.410   4.916
   43   HH22  ARG   6          HH12      ARG   6   8.745   2.822   6.260
   44    H    THR   7           H        THR   7  11.785   4.164  -0.188
   45    HA   THR   7           HA       THR   7  11.736   6.331  -0.754
   46    HB   THR   7           HB       THR   7  10.089   5.698  -3.225
   47    HG1  THR   7           HG1      THR   7  11.895   4.349  -3.195
   48   HG21  THR   7          HG21      THR   7  11.416   7.575  -4.182
   49   HG22  THR   7          HG22      THR   7  10.373   8.091  -2.858
   50   HG23  THR   7          HG23      THR   7  12.122   7.881  -2.582
   51    H    ILE   8           H        ILE   8  10.446   8.184  -0.593
   52    HA   ILE   8           HA       ILE   8   7.774   7.735   0.636
   53    HB   ILE   8           HB       ILE   8   8.380   8.796   2.641
   54   HG12  ILE   8          HG12      ILE   8  11.149   9.425   1.590
   55   HG13  ILE   8          HG13      ILE   8   9.823  10.590   1.650
   56   HG21  ILE   8          HG21      ILE   8  10.056   7.313   3.614
   57   HG22  ILE   8          HG22      ILE   8   9.215   6.392   2.377
   58   HG23  ILE   8          HG23      ILE   8  10.837   7.070   2.061
   59   HD11  ILE   8          HD11      ILE   8   9.567  10.209   4.071
   60   HD12  ILE   8          HD12      ILE   8  11.039   9.230   4.072
   61   HD13  ILE   8          HD13      ILE   8  11.124  10.942   3.638
   62    H    TRP   9           H        TRP   9   6.757  10.026   1.135
   63    HA   TRP   9           HA       TRP   9   7.792  12.194  -0.521
   64    HB2  TRP   9           HB2      TRP   9   5.915  10.395  -1.650
   65    HB3  TRP   9           HB3      TRP   9   4.976  11.803  -1.262
   66    HD1  TRP   9           HD1      TRP   9   7.064  10.405  -3.876
   67    HE1  TRP   9           HE1      TRP   9   7.737  12.119  -5.640
   68    HE3  TRP   9           HE3      TRP   9   5.947  14.700  -1.297
   69    HZ2  TRP   9           HZ2      TRP   9   7.818  15.011  -5.900
   70    HZ3  TRP   9           HZ3      TRP   9   6.432  16.910  -2.290
   71    HH2  TRP   9           HH2      TRP   9   7.336  17.083  -4.600
   72    H    VAL  10           H        VAL  10   7.631  11.997   2.270
   73    HA   VAL  10           HA       VAL  10   5.128  13.004   3.261
   74    HB   VAL  10           HB       VAL  10   6.373  13.313   5.401
   75   HG11  VAL  10          HG11      VAL  10   5.219  11.201   4.761
   76   HG12  VAL  10          HG12      VAL  10   6.769  10.567   4.167
   77   HG13  VAL  10          HG13      VAL  10   6.554  10.981   5.889
   78   HG21  VAL  10          HG21      VAL  10   8.592  13.848   4.685
   79   HG22  VAL  10          HG22      VAL  10   8.647  12.333   5.605
   80   HG23  VAL  10          HG23      VAL  10   8.775  12.308   3.834
   81    H    GLY  11           H        GLY  11   4.673  14.934   4.303
   82    HA2  GLY  11           HA2      GLY  11   6.172  17.247   4.422
   83    HA3  GLY  11           HA3      GLY  11   5.310  17.315   2.865
   84    H    GLY  12           H        GLY  12   4.945  18.782   5.570
   85    HA2  GLY  12           HA2      GLY  12   3.244  19.520   6.902
   86    HA3  GLY  12           HA3      GLY  12   2.094  18.852   5.730
   87    H    THR  13           H        THR  13   4.554  16.864   7.358
   88    HA   THR  13           HA       THR  13   2.552  15.542   9.095
   89    HB   THR  13           HB       THR  13   3.536  13.368   8.128
   90    HG1  THR  13           HG1      THR  13   5.204  14.275   6.941
   91   HG21  THR  13          HG21      THR  13   1.221  14.093   7.652
   92   HG22  THR  13          HG22      THR  13   1.805  15.003   6.242
   93   HG23  THR  13          HG23      THR  13   1.968  13.238   6.292
   94    HA   PRO  14           HA       PRO  14   6.756  16.857  10.695
   95    HB2  PRO  14           HB3      PRO  14   5.151  17.186  13.227
   96    HB3  PRO  14           HB2      PRO  14   6.455  18.226  12.572
   97    HG2  PRO  14           HG2      PRO  14   3.865  18.957  12.296
   98    HG3  PRO  14           HG3      PRO  14   4.994  19.131  10.911
   99    HD2  PRO  14           HD2      PRO  14   2.996  16.918  11.439
  100    HD3  PRO  14           HD3      PRO  14   3.309  17.828   9.939
  101    H    GLU  15           H        GLU  15   4.551  14.425  11.986
  102    HA   GLU  15           HA       GLU  15   6.651  13.321  13.714
  103    HB2  GLU  15           HB2      GLU  15   4.182  13.870  14.410
  104    HB3  GLU  15           HB3      GLU  15   3.799  12.354  13.589
  105    HG2  GLU  15           HG2      GLU  15   5.651  11.309  15.115
  106    HG3  GLU  15           HG3      GLU  15   5.598  12.823  16.007
  107    H    GLU  16           H        GLU  16   5.427  12.827  10.561
  108    HA   GLU  16           HA       GLU  16   5.693   9.873  10.625
  109    HB2  GLU  16           HB2      GLU  16   5.059  11.759   8.320
  110    HB3  GLU  16           HB3      GLU  16   4.955   9.997   8.282
  111    HG2  GLU  16           HG2      GLU  16   3.315  11.803  10.110
  112    HG3  GLU  16           HG3      GLU  16   2.749  11.140   8.581
  113    H    LEU  17           H        LEU  17   7.282  12.764   9.250
  114    HA   LEU  17           HA       LEU  17   9.436  11.436   8.007
  115    HB2  LEU  17           HB2      LEU  17  10.569  13.541   7.975
  116    HB3  LEU  17           HB3      LEU  17   8.868  13.770   7.595
  117    HG   LEU  17           HG       LEU  17   8.763  14.166  10.247
  118   HD11  LEU  17          HD11      LEU  17  11.523  15.244   9.500
  119   HD12  LEU  17          HD12      LEU  17  11.227  13.913  10.630
  120   HD13  LEU  17          HD13      LEU  17  10.665  15.534  11.029
  121   HD21  LEU  17          HD21      LEU  17   8.872  16.621   9.776
  122   HD22  LEU  17          HD22      LEU  17   9.575  16.261   8.184
  123   HD23  LEU  17          HD23      LEU  17   7.921  15.735   8.572
  124    H    LYS  18           H        LYS  18   8.687  11.917  11.404
  125    HA   LYS  18           HA       LYS  18  11.459  11.484  12.283
  126    HB2  LYS  18           HB2      LYS  18   8.820  11.345  13.811
  127    HB3  LYS  18           HB3      LYS  18  10.419  11.134  14.534
  128    HG2  LYS  18           HG2      LYS  18  11.091  13.393  13.793
  129    HG3  LYS  18           HG3      LYS  18   9.509  13.629  13.041
  130    HD2  LYS  18           HD2      LYS  18   8.433  13.346  15.296
  131    HD3  LYS  18           HD3      LYS  18  10.056  13.222  16.013
  132    HE2  LYS  18           HE2      LYS  18  10.613  15.474  15.086
  133    HE3  LYS  18           HE3      LYS  18   8.985  15.591  14.406
  134    HZ1  LYS  18           HZ1      LYS  18   8.110  15.516  16.675
  135    HZ2  LYS  18           HZ2      LYS  18   9.618  15.402  17.298
  136    HZ3  LYS  18           HZ3      LYS  18   9.157  16.753  16.516
  137    H    LYS  19           H        LYS  19   8.496   9.449  11.991
  138    HA   LYS  19           HA       LYS  19   9.761   7.028  12.882
  139    HB2  LYS  19           HB2      LYS  19   7.414   7.405  10.962
  140    HB3  LYS  19           HB3      LYS  19   7.869   5.890  11.754
  141    HG2  LYS  19           HG2      LYS  19   7.415   6.865  13.972
  142    HG3  LYS  19           HG3      LYS  19   7.058   8.427  13.235
  143    HD2  LYS  19           HD2      LYS  19   5.182   7.237  11.916
  144    HD3  LYS  19           HD3      LYS  19   5.472   5.852  12.978
  145    HE2  LYS  19           HE2      LYS  19   3.684   7.078  13.978
  146    HE3  LYS  19           HE3      LYS  19   5.114   7.418  14.959
  147    HZ1  LYS  19           HZ1      LYS  19   5.326   9.518  13.635
  148    HZ2  LYS  19           HZ2      LYS  19   3.906   9.177  12.897
  149    HZ3  LYS  19           HZ3      LYS  19   3.938   9.447  14.525
  150    H    LEU  20           H        LEU  20   9.308   8.476   9.620
  151    HA   LEU  20           HA       LEU  20  10.615   6.310   8.270
  152    HB2  LEU  20           HB2      LEU  20  10.166   9.194   7.414
  153    HB3  LEU  20           HB3      LEU  20  10.723   7.902   6.350
  154    HG   LEU  20           HG       LEU  20   8.031   7.913   7.802
  155   HD11  LEU  20          HD11      LEU  20   7.004   8.441   5.756
  156   HD12  LEU  20          HD12      LEU  20   8.303   9.623   6.023
  157   HD13  LEU  20          HD13      LEU  20   8.525   8.294   4.865
  158   HD21  LEU  20          HD21      LEU  20   8.725   5.610   7.408
  159   HD22  LEU  20          HD22      LEU  20   7.467   6.041   6.253
  160   HD23  LEU  20          HD23      LEU  20   9.167   5.988   5.727
  161    H    LYS  21           H        LYS  21  11.909   9.459   9.555
  162    HA   LYS  21           HA       LYS  21  14.586   8.968   8.721
  163    HB2  LYS  21           HB2      LYS  21  13.870  11.116   9.644
  164    HB3  LYS  21           HB3      LYS  21  13.525  10.378  11.206
  165    HG2  LYS  21           HG2      LYS  21  15.584  11.682  11.221
  166    HG3  LYS  21           HG3      LYS  21  15.891   9.995  11.622
  167    HD2  LYS  21           HD2      LYS  21  16.848   9.547   9.465
  168    HD3  LYS  21           HD3      LYS  21  16.306  11.096   8.804
  169    HE2  LYS  21           HE2      LYS  21  18.330  10.766  11.069
  170    HE3  LYS  21           HE3      LYS  21  18.763  10.940   9.368
  171    HZ1  LYS  21           HZ1      LYS  21  17.319  12.984  10.955
  172    HZ2  LYS  21           HZ2      LYS  21  18.882  13.048  10.506
  173    HZ3  LYS  21           HZ3      LYS  21  17.718  13.125   9.373
  174    H    GLU  22           H        GLU  22  12.851   7.769  11.667
  175    HA   GLU  22           HA       GLU  22  15.108   6.435  12.737
  176    HB2  GLU  22           HB2      GLU  22  12.976   6.876  13.947
  177    HB3  GLU  22           HB3      GLU  22  12.188   5.609  12.999
  178    HG2  GLU  22           HG2      GLU  22  13.766   3.931  13.891
  179    HG3  GLU  22           HG3      GLU  22  14.623   5.193  14.781
  180    H    GLU  23           H        GLU  23  12.662   5.278  10.324
  181    HA   GLU  23           HA       GLU  23  13.823   2.688  10.004
  182    HB2  GLU  23           HB2      GLU  23  12.186   4.400   8.078
  183    HB3  GLU  23           HB3      GLU  23  12.755   2.770   7.720
  184    HG2  GLU  23           HG2      GLU  23  11.608   1.984   9.862
  185    HG3  GLU  23           HG3      GLU  23  10.808   3.558   9.908
  186    H    ALA  24           H        ALA  24  14.625   5.810   8.406
  187    HA   ALA  24           HA       ALA  24  16.482   4.713   6.550
  188    HB1  ALA  24           HB1      ALA  24  15.534   7.050   6.543
  189    HB2  ALA  24           HB2      ALA  24  16.626   7.455   7.879
  190    HB3  ALA  24           HB3      ALA  24  17.294   6.976   6.308
  191    H    LYS  25           H        LYS  25  16.797   5.548   9.979
  192    HA   LYS  25           HA       LYS  25  19.699   5.089  10.037
  193    HB2  LYS  25           HB2      LYS  25  17.597   5.461  12.215
  194    HB3  LYS  25           HB3      LYS  25  19.323   5.254  12.525
  195    HG2  LYS  25           HG2      LYS  25  19.885   7.308  11.401
  196    HG3  LYS  25           HG3      LYS  25  18.274   7.473  10.714
  197    HD2  LYS  25           HD2      LYS  25  18.509   9.040  12.510
  198    HD3  LYS  25           HD3      LYS  25  17.304   7.825  12.948
  199    HE2  LYS  25           HE2      LYS  25  19.006   6.630  14.324
  200    HE3  LYS  25           HE3      LYS  25  20.228   7.815  13.850
  201    HZ1  LYS  25           HZ1      LYS  25  17.793   8.423  15.430
  202    HZ2  LYS  25           HZ2      LYS  25  19.306   8.312  16.020
  203    HZ3  LYS  25           HZ3      LYS  25  18.929   9.517  14.995
  204    H    LYS  26           H        LYS  26  16.700   3.235  10.703
  205    HA   LYS  26           HA       LYS  26  18.106   1.098  12.042
  206    HB2  LYS  26           HB2      LYS  26  15.752   1.795  12.440
  207    HB3  LYS  26           HB3      LYS  26  15.285   1.159  10.866
  208    HG2  LYS  26           HG2      LYS  26  16.647  -0.636  12.904
  209    HG3  LYS  26           HG3      LYS  26  14.953  -0.197  13.108
  210    HD2  LYS  26           HD2      LYS  26  14.396  -1.131  10.888
  211    HD3  LYS  26           HD3      LYS  26  16.084  -1.642  10.676
  212    HE2  LYS  26           HE2      LYS  26  15.930  -3.019  12.735
  213    HE3  LYS  26           HE3      LYS  26  14.248  -2.520  12.946
  214    HZ1  LYS  26           HZ1      LYS  26  15.286  -4.084  10.650
  215    HZ2  LYS  26           HZ2      LYS  26  14.403  -4.676  11.883
  216    HZ3  LYS  26           HZ3      LYS  26  13.728  -3.621  10.845
  217    H    ALA  27           H        ALA  27  16.917   1.562   8.697
  218    HA   ALA  27           HA       ALA  27  18.166  -1.029   7.889
  219    HB1  ALA  27           HB1      ALA  27  15.468   0.134   7.054
  220    HB2  ALA  27           HB2      ALA  27  16.171  -1.392   6.476
  221    HB3  ALA  27           HB3      ALA  27  15.704  -1.225   8.173
  222    H    ASN  28           H        ASN  28  18.154  -1.146   5.408
  223    HA   ASN  28           HA       ASN  28  19.962   0.793   4.402
  224    HB2  ASN  28           HB2      ASN  28  19.902  -1.573   3.696
  225    HB3  ASN  28           HB3      ASN  28  18.303  -1.342   2.984
  226   HD21  ASN  28          HD21      ASN  28  18.240  -0.819   0.809
  227   HD22  ASN  28          HD22      ASN  28  19.578  -0.093  -0.070
  228    H    ILE  29           H        ILE  29  16.500   0.930   4.482
  229    HA   ILE  29           HA       ILE  29  15.914   1.895   1.962
  230    HB   ILE  29           HB       ILE  29  13.756   2.532   2.792
  231   HG12  ILE  29          HG12      ILE  29  13.220   2.045   5.265
  232   HG13  ILE  29          HG13      ILE  29  14.929   2.308   5.605
  233   HG21  ILE  29          HG21      ILE  29  13.083   0.389   3.530
  234   HG22  ILE  29          HG22      ILE  29  14.557   0.097   2.591
  235   HG23  ILE  29          HG23      ILE  29  14.616   0.066   4.357
  236   HD11  ILE  29          HD11      ILE  29  13.020   4.342   4.351
  237   HD12  ILE  29          HD12      ILE  29  13.498   4.291   6.057
  238   HD13  ILE  29          HD13      ILE  29  14.702   4.655   4.841
  239    H    ARG  30           H        ARG  30  15.490   3.879   0.997
  240    HA   ARG  30           HA       ARG  30  17.015   6.174   2.090
  241    HB2  ARG  30           HB2      ARG  30  16.741   7.225   0.022
  242    HB3  ARG  30           HB3      ARG  30  17.244   5.587  -0.339
  243    HG2  ARG  30           HG2      ARG  30  15.086   4.972  -1.166
  244    HG3  ARG  30           HG3      ARG  30  14.289   6.370  -0.443
  245    HD2  ARG  30           HD2      ARG  30  16.300   6.514  -2.709
  246    HD3  ARG  30           HD3      ARG  30  14.550   6.601  -2.879
  247    HE   ARG  30           HE       ARG  30  14.520   8.671  -1.586
  248   HH11  ARG  30          HH22      ARG  30  17.704   7.775  -2.909
  249   HH12  ARG  30          HH21      ARG  30  18.351   9.365  -2.752
  250   HH21  ARG  30          HH11      ARG  30  15.361  10.707  -1.358
  251   HH22  ARG  30          HH12      ARG  30  16.982  11.095  -1.858
  252    H    VAL  31           H        VAL  31  16.057   8.227   2.136
  253    HA   VAL  31           HA       VAL  31  13.127   8.438   2.295
  254    HB   VAL  31           HB       VAL  31  13.331   9.811   4.380
  255   HG11  VAL  31          HG11      VAL  31  12.494   7.447   4.397
  256   HG12  VAL  31          HG12      VAL  31  14.127   6.904   4.784
  257   HG13  VAL  31          HG13      VAL  31  13.253   7.945   5.914
  258   HG21  VAL  31          HG21      VAL  31  15.245   9.477   5.893
  259   HG22  VAL  31          HG22      VAL  31  16.098   8.551   4.649
  260   HG23  VAL  31          HG23      VAL  31  15.748  10.272   4.397
  261    H    THR  32           H        THR  32  12.412  10.581   2.015
  262    HA   THR  32           HA       THR  32  14.363  12.585   1.041
  263    HB   THR  32           HB       THR  32  11.900  11.881  -0.579
  264    HG1  THR  32           HG1      THR  32  12.930  10.439  -1.740
  265   HG21  THR  32          HG21      THR  32  14.588  13.166  -1.271
  266   HG22  THR  32          HG22      THR  32  13.274  12.861  -2.426
  267   HG23  THR  32          HG23      THR  32  13.029  14.005  -1.098
  268    H    PHE  33           H        PHE  33  13.787  14.537   1.927
  269    HA   PHE  33           HA       PHE  33  11.069  14.734   3.154
  270    HB2  PHE  33           HB2      PHE  33  13.713  15.797   4.202
  271    HB3  PHE  33           HB3      PHE  33  12.143  15.961   4.973
  272    HD1  PHE  33           HD2      PHE  33  10.881  13.476   5.160
  273    HD2  PHE  33           HD1      PHE  33  15.122  14.237   5.242
  274    HE1  PHE  33           HE2      PHE  33  11.227  11.402   6.472
  275    HE2  PHE  33           HE1      PHE  33  15.463  12.163   6.553
  276    HZ   PHE  33           HZ       PHE  33  13.513  10.748   7.185
  277    H    TRP  34           H        TRP  34  10.237  15.717   1.302
  278    HA   TRP  34           HA       TRP  34  11.204  18.223   0.258
  279    HB2  TRP  34           HB2      TRP  34   8.534  16.769   0.197
  280    HB3  TRP  34           HB3      TRP  34   8.703  18.398  -0.441
  281    HD1  TRP  34           HD1      TRP  34  10.182  18.808  -2.517
  282    HE1  TRP  34           HE1      TRP  34  11.001  17.328  -4.445
  283    HE3  TRP  34           HE3      TRP  34   9.262  14.230  -0.417
  284    HZ2  TRP  34           HZ2      TRP  34  11.263  14.487  -4.984
  285    HZ3  TRP  34           HZ3      TRP  34   9.838  12.168  -1.658
  286    HH2  TRP  34           HH2      TRP  34  10.816  12.272  -3.928
  287    H    GLY  35           H        GLY  35   8.858  17.358   2.776
  288    HA2  GLY  35           HA2      GLY  35   7.879  18.628   4.465
  289    HA3  GLY  35           HA3      GLY  35   9.061  19.911   4.164
  290    H    ASP  36           H        ASP  36   7.012  18.507   1.628
  291    HA   ASP  36           HA       ASP  36   6.293  20.953   0.472
  292    HB2  ASP  36           HB2      ASP  36   6.249  18.924  -0.809
  293    HB3  ASP  36           HB3      ASP  36   5.035  18.202   0.254
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  19.050  -6.939   2.291
    2    H2   GLY   1           H2       GLY   1  18.490  -8.389   2.817
    3    H3   GLY   1           H3       GLY   1  17.552  -7.047   2.941
    4    HA2  GLY   1           HA2      GLY   1  18.410  -8.286   0.417
    5    HA3  GLY   1           HA3      GLY   1  16.799  -8.440   1.135
    6    H    SER   2           H        SER   2  18.330  -6.894  -1.301
    7    HA   SER   2           HA       SER   2  17.939  -4.189  -1.039
    8    HB2  SER   2           HB2      SER   2  17.602  -5.765  -3.612
    9    HB3  SER   2           HB3      SER   2  18.213  -4.111  -3.423
   10    HG   SER   2           HG       SER   2  19.902  -5.643  -3.697
   11    H    GLY   3           H        GLY   3  15.408  -6.583  -1.710
   12    HA2  GLY   3           HA2      GLY   3  13.413  -4.929  -2.813
   13    HA3  GLY   3           HA3      GLY   3  13.148  -6.386  -1.841
   14    H    GLN   4           H        GLN   4  14.687  -4.932   0.483
   15    HA   GLN   4           HA       GLN   4  12.398  -3.810   1.788
   16    HB2  GLN   4           HB2      GLN   4  14.264  -4.934   2.950
   17    HB3  GLN   4           HB3      GLN   4  15.375  -3.669   2.425
   18    HG2  GLN   4           HG2      GLN   4  14.764  -3.400   4.767
   19    HG3  GLN   4           HG3      GLN   4  14.237  -2.019   3.828
   20   HE21  GLN   4          HE21      GLN   4  11.904  -1.796   3.356
   21   HE22  GLN   4          HE22      GLN   4  10.732  -2.570   4.410
   22    H    VAL   5           H        VAL   5  14.839  -2.387  -0.369
   23    HA   VAL   5           HA       VAL   5  14.619   0.312   0.597
   24    HB   VAL   5           HB       VAL   5  15.462  -0.730  -2.139
   25   HG11  VAL   5          HG11      VAL   5  16.697   1.404  -2.330
   26   HG12  VAL   5          HG12      VAL   5  14.960   1.686  -2.200
   27   HG13  VAL   5          HG13      VAL   5  16.010   1.950  -0.787
   28   HG21  VAL   5          HG21      VAL   5  17.149  -0.032   0.319
   29   HG22  VAL   5          HG22      VAL   5  16.898  -1.666  -0.327
   30   HG23  VAL   5          HG23      VAL   5  17.779  -0.477  -1.281
   31    H    ARG   6           H        ARG   6  13.306   1.979  -0.036
   32    HA   ARG   6           HA       ARG   6  11.074   1.522  -1.885
   33    HB2  ARG   6           HB2      ARG   6   9.395   2.028  -0.166
   34    HB3  ARG   6           HB3      ARG   6  10.229   0.531   0.201
   35    HG2  ARG   6           HG2      ARG   6  11.447   1.465   2.007
   36    HG3  ARG   6           HG3      ARG   6  11.154   3.130   1.501
   37    HD2  ARG   6           HD2      ARG   6   8.982   1.244   2.488
   38    HD3  ARG   6           HD3      ARG   6   9.821   2.448   3.488
   39    HE   ARG   6           HE       ARG   6   8.834   3.793   1.207
   40   HH11  ARG   6          HH22      ARG   6   7.466   2.225   4.092
   41   HH12  ARG   6          HH21      ARG   6   6.023   3.168   4.064
   42   HH21  ARG   6          HH11      ARG   6   7.007   4.968   1.138
   43   HH22  ARG   6          HH12      ARG   6   5.738   4.803   2.320
   44    H    THR   7           H        THR   7   9.665   3.565  -1.846
   45    HA   THR   7           HA       THR   7  11.280   6.047  -1.472
   46    HB   THR   7           HB       THR   7   8.763   5.611  -3.158
   47    HG1  THR   7           HG1      THR   7   9.912   4.987  -4.824
   48   HG21  THR   7          HG21      THR   7  10.982   7.706  -3.262
   49   HG22  THR   7          HG22      THR   7   9.785   7.474  -4.556
   50   HG23  THR   7          HG23      THR   7   9.249   7.957  -2.952
   51    H    ILE   8           H        ILE   8  10.094   7.890  -0.763
   52    HA   ILE   8           HA       ILE   8   7.557   7.415   0.659
   53    HB   ILE   8           HB       ILE   8   8.180   8.483   2.645
   54   HG12  ILE   8          HG12      ILE   8  10.859   9.320   1.516
   55   HG13  ILE   8          HG13      ILE   8   9.442  10.371   1.654
   56   HG21  ILE   8          HG21      ILE   8   9.944   7.145   3.608
   57   HG22  ILE   8          HG22      ILE   8   9.182   6.143   2.382
   58   HG23  ILE   8          HG23      ILE   8  10.742   6.953   2.042
   59   HD11  ILE   8          HD11      ILE   8  10.922   9.127   3.979
   60   HD12  ILE   8          HD12      ILE   8  10.759  10.842   3.561
   61   HD13  ILE   8          HD13      ILE   8   9.341   9.904   4.086
   62    H    TRP   9           H        TRP   9   6.392   9.571   0.923
   63    HA   TRP   9           HA       TRP   9   7.477  11.792  -0.659
   64    HB2  TRP   9           HB2      TRP   9   5.893  10.053  -1.985
   65    HB3  TRP   9           HB3      TRP   9   4.640  11.054  -1.320
   66    HD1  TRP   9           HD1      TRP   9   6.647  10.647  -4.207
   67    HE1  TRP   9           HE1      TRP   9   6.758  12.704  -5.719
   68    HE3  TRP   9           HE3      TRP   9   5.077  14.196  -0.849
   69    HZ2  TRP   9           HZ2      TRP   9   6.214  15.539  -5.507
   70    HZ3  TRP   9           HZ3      TRP   9   4.992  16.581  -1.518
   71    HH2  TRP   9           HH2      TRP   9   5.514  17.257  -3.844
   72    H    VAL  10           H        VAL  10   7.739  12.429   1.638
   73    HA   VAL  10           HA       VAL  10   5.155  13.400   2.815
   74    HB   VAL  10           HB       VAL  10   5.819  12.807   4.983
   75   HG11  VAL  10          HG11      VAL  10   6.554  10.364   3.324
   76   HG12  VAL  10          HG12      VAL  10   5.843  10.419   4.947
   77   HG13  VAL  10          HG13      VAL  10   4.887  10.949   3.559
   78   HG21  VAL  10          HG21      VAL  10   8.138  13.306   5.037
   79   HG22  VAL  10          HG22      VAL  10   7.952  11.623   5.517
   80   HG23  VAL  10          HG23      VAL  10   8.526  12.024   3.873
   81    H    GLY  11           H        GLY  11   5.283  15.124   4.282
   82    HA2  GLY  11           HA2      GLY  11   7.582  16.645   4.856
   83    HA3  GLY  11           HA3      GLY  11   6.687  17.422   3.524
   84    H    GLY  12           H        GLY  12   6.897  18.686   6.019
   85    HA2  GLY  12           HA2      GLY  12   5.641  19.841   7.505
   86    HA3  GLY  12           HA3      GLY  12   4.293  19.546   6.401
   87    H    THR  13           H        THR  13   5.779  16.753   7.929
   88    HA   THR  13           HA       THR  13   3.572  16.529   9.901
   89    HB   THR  13           HB       THR  13   4.214  14.320   7.904
   90    HG1  THR  13           HG1      THR  13   3.386  16.024   6.723
   91   HG21  THR  13          HG21      THR  13   3.060  13.665  10.024
   92   HG22  THR  13          HG22      THR  13   1.785  14.851   9.688
   93   HG23  THR  13          HG23      THR  13   2.019  13.455   8.609
   94    HA   PRO  14           HA       PRO  14   7.799  15.452  11.707
   95    HB2  PRO  14           HB3      PRO  14   6.053  16.357  14.001
   96    HB3  PRO  14           HB2      PRO  14   7.825  16.532  13.795
   97    HG2  PRO  14           HG2      PRO  14   6.202  18.620  13.249
   98    HG3  PRO  14           HG3      PRO  14   7.536  18.219  12.119
   99    HD2  PRO  14           HD2      PRO  14   4.596  17.581  11.861
  100    HD3  PRO  14           HD3      PRO  14   5.756  18.133  10.620
  101    H    GLU  15           H        GLU  15   4.434  14.655  12.495
  102    HA   GLU  15           HA       GLU  15   4.884  12.527  14.309
  103    HB2  GLU  15           HB2      GLU  15   2.454  13.069  12.533
  104    HB3  GLU  15           HB3      GLU  15   2.509  12.048  13.959
  105    HG2  GLU  15           HG2      GLU  15   1.505  13.973  14.737
  106    HG3  GLU  15           HG3      GLU  15   3.160  14.090  15.322
  107    H    GLU  16           H        GLU  16   5.409  12.590  10.904
  108    HA   GLU  16           HA       GLU  16   5.343   9.627  10.748
  109    HB2  GLU  16           HB2      GLU  16   3.472  10.308   9.526
  110    HB3  GLU  16           HB3      GLU  16   4.227  11.810   8.976
  111    HG2  GLU  16           HG2      GLU  16   5.619  10.723   7.444
  112    HG3  GLU  16           HG3      GLU  16   5.222   9.112   8.074
  113    H    LEU  17           H        LEU  17   6.853  12.747   9.585
  114    HA   LEU  17           HA       LEU  17   8.832  11.326   8.113
  115    HB2  LEU  17           HB2      LEU  17   9.849  13.372   7.588
  116    HB3  LEU  17           HB3      LEU  17   8.105  13.570   7.533
  117    HG   LEU  17           HG       LEU  17   8.495  14.343  10.037
  118   HD11  LEU  17          HD11      LEU  17  10.525  15.759  10.280
  119   HD12  LEU  17          HD12      LEU  17  10.970  14.065  10.096
  120   HD13  LEU  17          HD13      LEU  17  11.124  15.163   8.718
  121   HD21  LEU  17          HD21      LEU  17   7.467  15.681   8.198
  122   HD22  LEU  17          HD22      LEU  17   8.479  16.687   9.250
  123   HD23  LEU  17          HD23      LEU  17   9.083  16.168   7.659
  124    H    LYS  18           H        LYS  18   8.691  12.284  11.543
  125    HA   LYS  18           HA       LYS  18  11.514  11.740  11.986
  126    HB2  LYS  18           HB2      LYS  18   9.110  11.717  13.862
  127    HB3  LYS  18           HB3      LYS  18  10.771  11.412  14.381
  128    HG2  LYS  18           HG2      LYS  18  11.499  13.610  13.606
  129    HG3  LYS  18           HG3      LYS  18   9.880  13.978  12.988
  130    HD2  LYS  18           HD2      LYS  18   8.936  13.824  15.248
  131    HD3  LYS  18           HD3      LYS  18  10.511  13.394  15.922
  132    HE2  LYS  18           HE2      LYS  18   9.901  16.014  14.474
  133    HE3  LYS  18           HE3      LYS  18   9.823  15.806  16.225
  134    HZ1  LYS  18           HZ1      LYS  18  12.185  15.263  16.214
  135    HZ2  LYS  18           HZ2      LYS  18  12.273  15.478  14.592
  136    HZ3  LYS  18           HZ3      LYS  18  11.933  16.735  15.569
  137    H    LYS  19           H        LYS  19   8.551   9.717  11.913
  138    HA   LYS  19           HA       LYS  19   9.896   7.333  12.881
  139    HB2  LYS  19           HB2      LYS  19   7.318   7.660  11.277
  140    HB3  LYS  19           HB3      LYS  19   7.875   6.157  12.012
  141    HG2  LYS  19           HG2      LYS  19   7.674   7.065  14.252
  142    HG3  LYS  19           HG3      LYS  19   7.347   8.692  13.625
  143    HD2  LYS  19           HD2      LYS  19   5.282   7.867  12.540
  144    HD3  LYS  19           HD3      LYS  19   5.536   6.265  13.261
  145    HE2  LYS  19           HE2      LYS  19   5.158   7.043  15.456
  146    HE3  LYS  19           HE3      LYS  19   5.562   8.714  15.034
  147    HZ1  LYS  19           HZ1      LYS  19   3.188   8.426  15.361
  148    HZ2  LYS  19           HZ2      LYS  19   3.540   8.920  13.840
  149    HZ3  LYS  19           HZ3      LYS  19   3.100   7.356  14.129
  150    H    LEU  20           H        LEU  20   9.093   8.639   9.611
  151    HA   LEU  20           HA       LEU  20  10.340   6.425   8.252
  152    HB2  LEU  20           HB2      LEU  20   9.754   9.237   7.247
  153    HB3  LEU  20           HB3      LEU  20  10.242   7.868   6.248
  154    HG   LEU  20           HG       LEU  20   7.645   8.113   7.831
  155   HD11  LEU  20          HD11      LEU  20   6.543   8.141   5.707
  156   HD12  LEU  20          HD12      LEU  20   7.745   9.434   5.793
  157   HD13  LEU  20          HD13      LEU  20   8.090   7.957   4.857
  158   HD21  LEU  20          HD21      LEU  20   6.981   5.976   6.711
  159   HD22  LEU  20          HD22      LEU  20   8.651   5.782   6.137
  160   HD23  LEU  20          HD23      LEU  20   8.278   5.748   7.878
  161    H    LYS  21           H        LYS  21  11.635   9.610   9.373
  162    HA   LYS  21           HA       LYS  21  14.267   9.149   8.349
  163    HB2  LYS  21           HB2      LYS  21  13.570  11.308   9.273
  164    HB3  LYS  21           HB3      LYS  21  13.362  10.600  10.872
  165    HG2  LYS  21           HG2      LYS  21  15.399  11.934  10.699
  166    HG3  LYS  21           HG3      LYS  21  15.755  10.259  11.114
  167    HD2  LYS  21           HD2      LYS  21  16.559   9.784   8.886
  168    HD3  LYS  21           HD3      LYS  21  15.939  11.337   8.269
  169    HE2  LYS  21           HE2      LYS  21  17.514  12.539   9.778
  170    HE3  LYS  21           HE3      LYS  21  18.140  10.993  10.358
  171    HZ1  LYS  21           HZ1      LYS  21  18.326  11.974   7.565
  172    HZ2  LYS  21           HZ2      LYS  21  19.547  11.926   8.639
  173    HZ3  LYS  21           HZ3      LYS  21  18.903  10.534   8.089
  174    H    GLU  22           H        GLU  22  12.777   8.043  11.463
  175    HA   GLU  22           HA       GLU  22  15.094   6.698  12.371
  176    HB2  GLU  22           HB2      GLU  22  12.963   7.239  13.676
  177    HB3  GLU  22           HB3      GLU  22  12.215   5.854  12.883
  178    HG2  GLU  22           HG2      GLU  22  12.938   5.093  14.996
  179    HG3  GLU  22           HG3      GLU  22  14.065   4.401  13.842
  180    H    GLU  23           H        GLU  23  12.472   5.596  10.171
  181    HA   GLU  23           HA       GLU  23  13.345   2.923   9.867
  182    HB2  GLU  23           HB2      GLU  23  11.147   4.103   9.068
  183    HB3  GLU  23           HB3      GLU  23  12.082   4.599   7.660
  184    HG2  GLU  23           HG2      GLU  23  11.038   2.664   6.932
  185    HG3  GLU  23           HG3      GLU  23  12.635   2.069   7.365
  186    H    ALA  24           H        ALA  24  14.306   5.900   8.084
  187    HA   ALA  24           HA       ALA  24  16.104   4.645   6.270
  188    HB1  ALA  24           HB1      ALA  24  17.065   6.849   5.980
  189    HB2  ALA  24           HB2      ALA  24  15.310   7.036   6.167
  190    HB3  ALA  24           HB3      ALA  24  16.391   7.422   7.513
  191    H    LYS  25           H        LYS  25  16.631   5.963   9.564
  192    HA   LYS  25           HA       LYS  25  19.418   5.266   9.670
  193    HB2  LYS  25           HB2      LYS  25  17.334   5.782  11.831
  194    HB3  LYS  25           HB3      LYS  25  19.050   5.540  12.169
  195    HG2  LYS  25           HG2      LYS  25  19.691   7.525  10.996
  196    HG3  LYS  25           HG3      LYS  25  18.125   7.684  10.213
  197    HD2  LYS  25           HD2      LYS  25  18.337   9.350  11.971
  198    HD3  LYS  25           HD3      LYS  25  17.025   8.234  12.292
  199    HE2  LYS  25           HE2      LYS  25  18.155   8.658  14.367
  200    HE3  LYS  25           HE3      LYS  25  18.460   6.986  13.907
  201    HZ1  LYS  25           HZ1      LYS  25  20.361   9.239  13.546
  202    HZ2  LYS  25           HZ2      LYS  25  20.460   8.093  14.694
  203    HZ3  LYS  25           HZ3      LYS  25  20.669   7.684  13.134
  204    H    LYS  26           H        LYS  26  16.444   3.405  10.379
  205    HA   LYS  26           HA       LYS  26  17.885   1.338  11.818
  206    HB2  LYS  26           HB2      LYS  26  15.449   2.022  12.142
  207    HB3  LYS  26           HB3      LYS  26  15.087   1.220  10.612
  208    HG2  LYS  26           HG2      LYS  26  16.220  -0.891  11.774
  209    HG3  LYS  26           HG3      LYS  26  16.023   0.052  13.253
  210    HD2  LYS  26           HD2      LYS  26  14.056  -1.228  13.192
  211    HD3  LYS  26           HD3      LYS  26  13.528   0.314  12.495
  212    HE2  LYS  26           HE2      LYS  26  14.168  -0.785  10.192
  213    HE3  LYS  26           HE3      LYS  26  14.199  -2.309  11.091
  214    HZ1  LYS  26           HZ1      LYS  26  11.841  -1.699  11.755
  215    HZ2  LYS  26           HZ2      LYS  26  11.926  -0.495  10.615
  216    HZ3  LYS  26           HZ3      LYS  26  12.054  -2.061  10.176
  217    H    ALA  27           H        ALA  27  16.336   1.513   8.575
  218    HA   ALA  27           HA       ALA  27  17.511  -1.137   7.902
  219    HB1  ALA  27           HB1      ALA  27  15.055  -0.959   7.967
  220    HB2  ALA  27           HB2      ALA  27  15.105   0.346   6.761
  221    HB3  ALA  27           HB3      ALA  27  15.629  -1.297   6.328
  222    H    ASN  28           H        ASN  28  18.476   1.939   7.414
  223    HA   ASN  28           HA       ASN  28  19.864   2.973   6.031
  224    HB2  ASN  28           HB2      ASN  28  20.979   0.662   5.914
  225    HB3  ASN  28           HB3      ASN  28  20.135   0.473   4.366
  226   HD21  ASN  28          HD21      ASN  28  21.805   0.635   2.847
  227   HD22  ASN  28          HD22      ASN  28  22.919   1.973   2.764
  228    H    ILE  29           H        ILE  29  16.847   2.061   5.095
  229    HA   ILE  29           HA       ILE  29  16.929   2.336   2.305
  230    HB   ILE  29           HB       ILE  29  14.474   2.589   2.439
  231   HG12  ILE  29          HG12      ILE  29  13.388   1.970   4.665
  232   HG13  ILE  29          HG13      ILE  29  14.869   2.449   5.479
  233   HG21  ILE  29          HG21      ILE  29  15.598   0.380   4.222
  234   HG22  ILE  29          HG22      ILE  29  14.153   0.312   3.201
  235   HG23  ILE  29          HG23      ILE  29  15.764   0.400   2.465
  236   HD11  ILE  29          HD11      ILE  29  13.109   4.277   3.790
  237   HD12  ILE  29          HD12      ILE  29  13.091   4.152   5.564
  238   HD13  ILE  29          HD13      ILE  29  14.523   4.762   4.757
  239    H    ARG  30           H        ARG  30  16.309   3.942   0.870
  240    HA   ARG  30           HA       ARG  30  17.210   6.610   1.564
  241    HB2  ARG  30           HB2      ARG  30  16.579   7.174  -0.749
  242    HB3  ARG  30           HB3      ARG  30  17.589   5.733  -0.667
  243    HG2  ARG  30           HG2      ARG  30  15.503   4.321  -0.896
  244    HG3  ARG  30           HG3      ARG  30  14.575   5.812  -1.121
  245    HD2  ARG  30           HD2      ARG  30  15.806   6.327  -3.162
  246    HD3  ARG  30           HD3      ARG  30  16.937   4.999  -2.864
  247    HE   ARG  30           HE       ARG  30  15.447   3.482  -3.680
  248   HH11  ARG  30          HH22      ARG  30  13.768   6.608  -3.376
  249   HH12  ARG  30          HH21      ARG  30  12.246   5.950  -3.938
  250   HH21  ARG  30          HH11      ARG  30  13.380   2.708  -4.494
  251   HH22  ARG  30          HH12      ARG  30  12.033   3.809  -4.523
  252    H    VAL  31           H        VAL  31  16.007   8.488   1.638
  253    HA   VAL  31           HA       VAL  31  13.076   8.389   1.767
  254    HB   VAL  31           HB       VAL  31  13.145   9.738   3.907
  255   HG11  VAL  31          HG11      VAL  31  14.101   6.878   4.228
  256   HG12  VAL  31          HG12      VAL  31  13.126   7.813   5.376
  257   HG13  VAL  31          HG13      VAL  31  12.445   7.331   3.818
  258   HG21  VAL  31          HG21      VAL  31  15.020   9.469   5.459
  259   HG22  VAL  31          HG22      VAL  31  15.953   8.583   4.242
  260   HG23  VAL  31          HG23      VAL  31  15.556  10.297   3.992
  261    H    THR  32           H        THR  32  12.160  10.435   1.473
  262    HA   THR  32           HA       THR  32  13.974  12.658   0.711
  263    HB   THR  32           HB       THR  32  11.693  11.690  -1.059
  264    HG1  THR  32           HG1      THR  32  13.206  10.757  -2.361
  265   HG21  THR  32          HG21      THR  32  12.779  13.147  -2.753
  266   HG22  THR  32          HG22      THR  32  12.299  14.076  -1.329
  267   HG23  THR  32          HG23      THR  32  14.006  13.629  -1.558
  268    H    PHE  33           H        PHE  33  13.211  14.544   1.543
  269    HA   PHE  33           HA       PHE  33  10.485  14.531   2.760
  270    HB2  PHE  33           HB2      PHE  33  13.055  15.758   3.826
  271    HB3  PHE  33           HB3      PHE  33  11.471  15.839   4.579
  272    HD1  PHE  33           HD1      PHE  33  10.325  13.418   4.974
  273    HD2  PHE  33           HD2      PHE  33  14.562  14.129   4.649
  274    HE1  PHE  33           HE1      PHE  33  10.768  11.377   6.310
  275    HE2  PHE  33           HE2      PHE  33  15.000  12.063   5.953
  276    HZ   PHE  33           HZ       PHE  33  13.099  10.695   6.802
  277    H    TRP  34           H        TRP  34   9.316  15.753   1.407
  278    HA   TRP  34           HA       TRP  34  10.462  17.802  -0.283
  279    HB2  TRP  34           HB2      TRP  34   7.743  16.604   0.226
  280    HB3  TRP  34           HB3      TRP  34   7.795  18.211  -0.479
  281    HD1  TRP  34           HD1      TRP  34   8.503  18.528  -2.837
  282    HE1  TRP  34           HE1      TRP  34   9.178  17.038  -4.824
  283    HE3  TRP  34           HE3      TRP  34   8.888  14.075  -0.363
  284    HZ2  TRP  34           HZ2      TRP  34   9.885  14.244  -5.240
  285    HZ3  TRP  34           HZ3      TRP  34   9.570  12.030  -1.569
  286    HH2  TRP  34           HH2      TRP  34  10.070  12.093  -3.996
  287    H    GLY  35           H        GLY  35   8.742  17.811   2.774
  288    HA2  GLY  35           HA2      GLY  35   8.233  19.523   4.273
  289    HA3  GLY  35           HA3      GLY  35   9.325  20.595   3.380
  290    H    ASP  36           H        ASP  36   6.698  18.829   1.789
  291    HA   ASP  36           HA       ASP  36   5.670  21.026   0.391
  292    HB2  ASP  36           HB2      ASP  36   5.318  18.793  -0.406
  293    HB3  ASP  36           HB3      ASP  36   4.450  18.333   1.063
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  19.132  -8.146  -4.429
    2    H2   GLY   1           H2       GLY   1  20.531  -7.563  -5.047
    3    H3   GLY   1           H3       GLY   1  19.785  -8.834  -5.767
    4    HA2  GLY   1           HA2      GLY   1  19.426  -6.860  -7.059
    5    HA3  GLY   1           HA3      GLY   1  17.912  -7.470  -6.375
    6    H    SER   2           H        SER   2  16.726  -5.591  -6.081
    7    HA   SER   2           HA       SER   2  17.826  -3.087  -5.281
    8    HB2  SER   2           HB2      SER   2  15.273  -2.648  -4.936
    9    HB3  SER   2           HB3      SER   2  15.898  -2.975  -6.557
   10    HG   SER   2           HG       SER   2  14.014  -4.190  -6.094
   11    H    GLY   3           H        GLY   3  16.442  -5.806  -3.433
   12    HA2  GLY   3           HA2      GLY   3  16.541  -6.235  -1.157
   13    HA3  GLY   3           HA3      GLY   3  17.521  -4.781  -0.938
   14    H    GLN   4           H        GLN   4  16.224  -4.424   0.968
   15    HA   GLN   4           HA       GLN   4  13.412  -4.171   0.940
   16    HB2  GLN   4           HB2      GLN   4  13.625  -3.526   3.220
   17    HB3  GLN   4           HB3      GLN   4  14.765  -4.811   2.903
   18    HG2  GLN   4           HG2      GLN   4  15.494  -1.850   3.089
   19    HG3  GLN   4           HG3      GLN   4  15.561  -2.973   4.428
   20   HE21  GLN   4          HE21      GLN   4  17.856  -1.569   3.837
   21   HE22  GLN   4          HE22      GLN   4  19.030  -2.643   3.111
   22    H    VAL   5           H        VAL   5  15.324  -2.048  -0.670
   23    HA   VAL   5           HA       VAL   5  14.679   0.499   0.342
   24    HB   VAL   5           HB       VAL   5  16.469  -0.125  -1.294
   25   HG11  VAL   5          HG11      VAL   5  14.310   0.095  -3.429
   26   HG12  VAL   5          HG12      VAL   5  16.045  -0.195  -3.661
   27   HG13  VAL   5          HG13      VAL   5  15.036  -1.430  -2.888
   28   HG21  VAL   5          HG21      VAL   5  16.474   2.001  -2.458
   29   HG22  VAL   5          HG22      VAL   5  14.747   2.238  -2.134
   30   HG23  VAL   5          HG23      VAL   5  15.919   2.219  -0.793
   31    H    ARG   6           H        ARG   6  13.166   2.043  -0.166
   32    HA   ARG   6           HA       ARG   6  10.991   1.482  -2.002
   33    HB2  ARG   6           HB2      ARG   6   9.185   1.764  -0.460
   34    HB3  ARG   6           HB3      ARG   6  10.197   0.468   0.162
   35    HG2  ARG   6           HG2      ARG   6  11.227   2.119   1.787
   36    HG3  ARG   6           HG3      ARG   6  10.094   3.347   1.182
   37    HD2  ARG   6           HD2      ARG   6   8.207   1.708   1.768
   38    HD3  ARG   6           HD3      ARG   6   9.425   0.733   2.584
   39    HE   ARG   6           HE       ARG   6   9.685   2.339   4.261
   40   HH11  ARG   6          HH22      ARG   6   7.355   3.533   1.836
   41   HH12  ARG   6          HH21      ARG   6   6.587   4.628   2.922
   42   HH21  ARG   6          HH11      ARG   6   8.686   3.775   5.683
   43   HH22  ARG   6          HH12      ARG   6   7.368   4.782   5.162
   44    H    THR   7           H        THR   7   9.506   3.575  -1.916
   45    HA   THR   7           HA       THR   7  11.124   6.003  -1.336
   46    HB   THR   7           HB       THR   7   9.481   5.449  -3.844
   47    HG1  THR   7           HG1      THR   7  11.436   4.478  -4.019
   48   HG21  THR   7          HG21      THR   7   9.276   7.807  -3.368
   49   HG22  THR   7          HG22      THR   7  11.005   7.943  -2.974
   50   HG23  THR   7          HG23      THR   7  10.481   7.617  -4.641
   51    H    ILE   8           H        ILE   8   9.868   7.836  -0.946
   52    HA   ILE   8           HA       ILE   8   7.287   7.246   0.413
   53    HB   ILE   8           HB       ILE   8   8.045   8.185   2.417
   54   HG12  ILE   8          HG12      ILE   8  10.547   9.304   1.098
   55   HG13  ILE   8          HG13      ILE   8   9.098  10.238   1.492
   56   HG21  ILE   8          HG21      ILE   8   9.927   6.873   3.106
   57   HG22  ILE   8          HG22      ILE   8   9.184   5.943   1.814
   58   HG23  ILE   8          HG23      ILE   8  10.658   6.917   1.507
   59   HD11  ILE   8          HD11      ILE   8  10.907   8.855   3.483
   60   HD12  ILE   8          HD12      ILE   8  10.599  10.581   3.302
   61   HD13  ILE   8          HD13      ILE   8   9.299   9.505   3.869
   62    H    TRP   9           H        TRP   9   6.210   9.487   1.058
   63    HA   TRP   9           HA       TRP   9   7.078  11.727  -0.593
   64    HB2  TRP   9           HB2      TRP   9   5.137   9.987  -1.657
   65    HB3  TRP   9           HB3      TRP   9   4.210  11.344  -1.091
   66    HD1  TRP   9           HD1      TRP   9   6.516  10.223  -3.785
   67    HE1  TRP   9           HE1      TRP   9   6.895  12.043  -5.534
   68    HE3  TRP   9           HE3      TRP   9   4.576  14.216  -1.219
   69    HZ2  TRP   9           HZ2      TRP   9   6.419  14.895  -5.794
   70    HZ3  TRP   9           HZ3      TRP   9   4.650  16.482  -2.201
   71    HH2  TRP   9           HH2      TRP   9   5.534  16.833  -4.499
   72    H    VAL  10           H        VAL  10   7.155  11.401   2.197
   73    HA   VAL  10           HA       VAL  10   4.840  12.705   3.401
   74    HB   VAL  10           HB       VAL  10   6.171  12.800   5.429
   75   HG11  VAL  10          HG11      VAL  10   6.430  10.424   5.830
   76   HG12  VAL  10          HG12      VAL  10   5.020  10.670   4.792
   77   HG13  VAL  10          HG13      VAL  10   6.542  10.076   4.096
   78   HG21  VAL  10          HG21      VAL  10   8.379  13.319   4.655
   79   HG22  VAL  10          HG22      VAL  10   8.444  11.793   5.540
   80   HG23  VAL  10          HG23      VAL  10   8.493  11.791   3.761
   81    H    GLY  11           H        GLY  11   4.687  14.833   4.093
   82    HA2  GLY  11           HA2      GLY  11   6.109  16.781   2.405
   83    HA3  GLY  11           HA3      GLY  11   4.681  17.060   3.418
   84    H    GLY  12           H        GLY  12   7.823  15.578   4.326
   85    HA2  GLY  12           HA2      GLY  12   9.129  15.894   6.194
   86    HA3  GLY  12           HA3      GLY  12   8.937  17.636   5.898
   87    H    THR  13           H        THR  13   6.265  15.365   6.584
   88    HA   THR  13           HA       THR  13   4.953  17.096   8.233
   89    HB   THR  13           HB       THR  13   4.467  14.151   8.447
   90    HG1  THR  13           HG1      THR  13   3.873  13.896   6.434
   91   HG21  THR  13          HG21      THR  13   2.825  15.781   9.348
   92   HG22  THR  13          HG22      THR  13   2.657  16.493   7.729
   93   HG23  THR  13          HG23      THR  13   2.145  14.817   8.027
   94    HA   PRO  14           HA       PRO  14   7.182  16.477  12.144
   95    HB2  PRO  14           HB3      PRO  14   4.606  17.618  13.239
   96    HB3  PRO  14           HB2      PRO  14   6.294  18.031  13.673
   97    HG2  PRO  14           HG2      PRO  14   4.877  19.649  12.027
   98    HG3  PRO  14           HG3      PRO  14   6.588  19.265  11.647
   99    HD2  PRO  14           HD2      PRO  14   4.083  18.041  10.472
  100    HD3  PRO  14           HD3      PRO  14   5.583  18.577   9.654
  101    H    GLU  15           H        GLU  15   4.097  15.058  11.321
  102    HA   GLU  15           HA       GLU  15   4.013  13.373  13.703
  103    HB2  GLU  15           HB2      GLU  15   2.010  14.505  12.737
  104    HB3  GLU  15           HB3      GLU  15   2.176  13.523  11.278
  105    HG2  GLU  15           HG2      GLU  15   1.739  11.479  12.564
  106    HG3  GLU  15           HG3      GLU  15   1.779  12.384  14.081
  107    H    GLU  16           H        GLU  16   5.443  13.248  10.553
  108    HA   GLU  16           HA       GLU  16   5.277  10.254  10.472
  109    HB2  GLU  16           HB2      GLU  16   5.560  12.207   8.161
  110    HB3  GLU  16           HB3      GLU  16   5.486  10.444   8.054
  111    HG2  GLU  16           HG2      GLU  16   3.226  10.488   9.108
  112    HG3  GLU  16           HG3      GLU  16   3.264  12.250   9.092
  113    H    LEU  17           H        LEU  17   7.450  13.082  10.013
  114    HA   LEU  17           HA       LEU  17   9.872  11.725   9.489
  115    HB2  LEU  17           HB2      LEU  17   9.295  14.140  11.261
  116    HB3  LEU  17           HB3      LEU  17  10.919  13.593  10.861
  117    HG   LEU  17           HG       LEU  17   8.863  14.559   8.828
  118   HD11  LEU  17          HD11      LEU  17   9.697  16.362  10.276
  119   HD12  LEU  17          HD12      LEU  17  11.376  15.877   9.948
  120   HD13  LEU  17          HD13      LEU  17  10.358  16.525   8.645
  121   HD21  LEU  17          HD21      LEU  17  11.771  13.714   8.494
  122   HD22  LEU  17          HD22      LEU  17  10.339  12.968   7.746
  123   HD23  LEU  17          HD23      LEU  17  10.831  14.591   7.273
  124    H    LYS  18           H        LYS  18   7.976  11.864  12.441
  125    HA   LYS  18           HA       LYS  18   9.890  10.985  14.335
  126    HB2  LYS  18           HB2      LYS  18   6.885  10.455  14.214
  127    HB3  LYS  18           HB3      LYS  18   7.882  10.276  15.656
  128    HG2  LYS  18           HG2      LYS  18   7.563  12.913  14.164
  129    HG3  LYS  18           HG3      LYS  18   6.507  12.404  15.479
  130    HD2  LYS  18           HD2      LYS  18   8.290  12.461  17.082
  131    HD3  LYS  18           HD3      LYS  18   9.524  12.603  15.831
  132    HE2  LYS  18           HE2      LYS  18   9.128  14.738  17.003
  133    HE3  LYS  18           HE3      LYS  18   8.868  14.837  15.260
  134    HZ1  LYS  18           HZ1      LYS  18   6.531  14.837  15.593
  135    HZ2  LYS  18           HZ2      LYS  18   6.665  14.545  17.217
  136    HZ3  LYS  18           HZ3      LYS  18   7.156  15.968  16.589
  137    H    LYS  19           H        LYS  19   8.343   9.156  11.770
  138    HA   LYS  19           HA       LYS  19   9.468   6.631  12.937
  139    HB2  LYS  19           HB2      LYS  19   7.242   6.843  10.861
  140    HB3  LYS  19           HB3      LYS  19   7.888   5.395  11.616
  141    HG2  LYS  19           HG2      LYS  19   6.075   5.576  12.943
  142    HG3  LYS  19           HG3      LYS  19   7.100   6.670  13.873
  143    HD2  LYS  19           HD2      LYS  19   6.070   8.605  12.583
  144    HD3  LYS  19           HD3      LYS  19   5.038   7.431  11.745
  145    HE2  LYS  19           HE2      LYS  19   4.176   6.687  14.010
  146    HE3  LYS  19           HE3      LYS  19   5.106   8.000  14.742
  147    HZ1  LYS  19           HZ1      LYS  19   3.794   9.550  13.327
  148    HZ2  LYS  19           HZ2      LYS  19   2.878   8.294  12.814
  149    HZ3  LYS  19           HZ3      LYS  19   2.862   8.713  14.389
  150    H    LEU  20           H        LEU  20   8.998   8.622   9.980
  151    HA   LEU  20           HA       LEU  20  10.391   6.909   8.244
  152    HB2  LEU  20           HB2      LEU  20   9.568   9.786   8.175
  153    HB3  LEU  20           HB3      LEU  20  10.749   9.227   7.006
  154    HG   LEU  20           HG       LEU  20   8.504   9.136   6.156
  155   HD11  LEU  20          HD11      LEU  20   8.623   7.027   5.055
  156   HD12  LEU  20          HD12      LEU  20  10.295   7.526   5.380
  157   HD13  LEU  20          HD13      LEU  20   9.529   6.282   6.381
  158   HD21  LEU  20          HD21      LEU  20   7.186   8.567   8.141
  159   HD22  LEU  20          HD22      LEU  20   6.844   7.476   6.800
  160   HD23  LEU  20          HD23      LEU  20   7.868   6.925   8.138
  161    H    LYS  21           H        LYS  21  11.694   9.606  10.278
  162    HA   LYS  21           HA       LYS  21  14.324   9.441   9.110
  163    HB2  LYS  21           HB2      LYS  21  13.485  11.419  10.331
  164    HB3  LYS  21           HB3      LYS  21  13.396  10.485  11.823
  165    HG2  LYS  21           HG2      LYS  21  15.323  11.995  11.727
  166    HG3  LYS  21           HG3      LYS  21  15.790  10.313  11.971
  167    HD2  LYS  21           HD2      LYS  21  16.718  10.120   9.784
  168    HD3  LYS  21           HD3      LYS  21  15.805  11.516   9.185
  169    HE2  LYS  21           HE2      LYS  21  18.166  12.075   9.428
  170    HE3  LYS  21           HE3      LYS  21  17.160  13.058  10.490
  171    HZ1  LYS  21           HZ1      LYS  21  18.721  10.694  11.372
  172    HZ2  LYS  21           HZ2      LYS  21  19.155  12.247  11.594
  173    HZ3  LYS  21           HZ3      LYS  21  17.838  11.670  12.347
  174    H    GLU  22           H        GLU  22  12.722   7.751  11.838
  175    HA   GLU  22           HA       GLU  22  15.105   6.439  12.755
  176    HB2  GLU  22           HB2      GLU  22  13.030   6.641  14.096
  177    HB3  GLU  22           HB3      GLU  22  12.195   5.549  12.983
  178    HG2  GLU  22           HG2      GLU  22  13.778   3.735  13.540
  179    HG3  GLU  22           HG3      GLU  22  14.689   4.830  14.581
  180    H    GLU  23           H        GLU  23  12.505   5.468  10.437
  181    HA   GLU  23           HA       GLU  23  13.526   2.950   9.772
  182    HB2  GLU  23           HB2      GLU  23  11.260   3.993   9.214
  183    HB3  GLU  23           HB3      GLU  23  12.060   4.796   7.852
  184    HG2  GLU  23           HG2      GLU  23  12.821   2.468   7.097
  185    HG3  GLU  23           HG3      GLU  23  11.792   1.799   8.359
  186    H    ALA  24           H        ALA  24  14.262   6.150   8.345
  187    HA   ALA  24           HA       ALA  24  15.894   5.400   6.215
  188    HB1  ALA  24           HB1      ALA  24  16.814   7.629   6.337
  189    HB2  ALA  24           HB2      ALA  24  16.387   7.793   8.045
  190    HB3  ALA  24           HB3      ALA  24  15.111   7.748   6.823
  191    H    LYS  25           H        LYS  25  16.798   5.766   9.678
  192    HA   LYS  25           HA       LYS  25  19.574   4.957   9.102
  193    HB2  LYS  25           HB2      LYS  25  18.193   5.281  11.800
  194    HB3  LYS  25           HB3      LYS  25  19.922   5.183  11.500
  195    HG2  LYS  25           HG2      LYS  25  18.030   7.456  10.825
  196    HG3  LYS  25           HG3      LYS  25  19.360   7.470  11.963
  197    HD2  LYS  25           HD2      LYS  25  19.603   7.325   8.922
  198    HD3  LYS  25           HD3      LYS  25  19.843   8.753   9.923
  199    HE2  LYS  25           HE2      LYS  25  21.733   7.625  11.097
  200    HE3  LYS  25           HE3      LYS  25  21.505   6.190  10.094
  201    HZ1  LYS  25           HZ1      LYS  25  23.267   7.592   9.238
  202    HZ2  LYS  25           HZ2      LYS  25  22.056   7.542   8.150
  203    HZ3  LYS  25           HZ3      LYS  25  22.271   8.869   9.083
  204    H    LYS  26           H        LYS  26  16.564   3.443  10.290
  205    HA   LYS  26           HA       LYS  26  17.885   1.228  11.536
  206    HB2  LYS  26           HB2      LYS  26  15.606   2.067  12.096
  207    HB3  LYS  26           HB3      LYS  26  15.009   1.453  10.543
  208    HG2  LYS  26           HG2      LYS  26  15.564  -0.854  11.230
  209    HG3  LYS  26           HG3      LYS  26  16.254  -0.246  12.749
  210    HD2  LYS  26           HD2      LYS  26  14.030   0.654  13.394
  211    HD3  LYS  26           HD3      LYS  26  13.345   0.048  11.868
  212    HE2  LYS  26           HE2      LYS  26  13.976  -2.270  12.511
  213    HE3  LYS  26           HE3      LYS  26  14.660  -1.669  14.026
  214    HZ1  LYS  26           HZ1      LYS  26  12.437  -0.921  14.655
  215    HZ2  LYS  26           HZ2      LYS  26  11.804  -1.482  13.254
  216    HZ3  LYS  26           HZ3      LYS  26  12.428  -2.519  14.342
  217    H    ALA  27           H        ALA  27  16.437   1.665   8.298
  218    HA   ALA  27           HA       ALA  27  17.400  -1.061   7.536
  219    HB1  ALA  27           HB1      ALA  27  14.959  -0.828   7.648
  220    HB2  ALA  27           HB2      ALA  27  15.018   0.550   6.531
  221    HB3  ALA  27           HB3      ALA  27  15.492  -1.070   5.978
  222    H    ASN  28           H        ASN  28  18.475   1.978   7.225
  223    HA   ASN  28           HA       ASN  28  19.837   3.096   5.872
  224    HB2  ASN  28           HB2      ASN  28  20.954   0.789   5.781
  225    HB3  ASN  28           HB3      ASN  28  20.159   0.598   4.208
  226   HD21  ASN  28          HD22      ASN  28  21.871   0.763   2.733
  227   HD22  ASN  28          HD21      ASN  28  22.995   2.094   2.690
  228    H    ILE  29           H        ILE  29  16.891   2.155   4.790
  229    HA   ILE  29           HA       ILE  29  17.001   2.513   2.015
  230    HB   ILE  29           HB       ILE  29  14.528   2.724   2.202
  231   HG12  ILE  29          HG12      ILE  29  13.508   2.021   4.431
  232   HG13  ILE  29          HG13      ILE  29  15.006   2.472   5.222
  233   HG21  ILE  29          HG21      ILE  29  15.648   0.475   3.900
  234   HG22  ILE  29          HG22      ILE  29  14.245   0.436   2.828
  235   HG23  ILE  29          HG23      ILE  29  15.884   0.564   2.152
  236   HD11  ILE  29          HD11      ILE  29  13.319   4.189   5.508
  237   HD12  ILE  29          HD12      ILE  29  14.631   4.828   4.534
  238   HD13  ILE  29          HD13      ILE  29  13.112   4.341   3.746
  239    H    ARG  30           H        ARG  30  16.194   4.209   0.636
  240    HA   ARG  30           HA       ARG  30  17.111   6.835   1.446
  241    HB2  ARG  30           HB2      ARG  30  16.368   7.628  -0.706
  242    HB3  ARG  30           HB3      ARG  30  17.277   6.147  -0.874
  243    HG2  ARG  30           HG2      ARG  30  15.603   5.895  -2.434
  244    HG3  ARG  30           HG3      ARG  30  15.032   4.921  -1.095
  245    HD2  ARG  30           HD2      ARG  30  13.198   6.106  -2.081
  246    HD3  ARG  30           HD3      ARG  30  13.434   6.754  -0.477
  247    HE   ARG  30           HE       ARG  30  14.135   8.811  -1.379
  248   HH11  ARG  30          HH22      ARG  30  13.202   6.567  -3.995
  249   HH12  ARG  30          HH21      ARG  30  13.524   7.712  -5.243
  250   HH21  ARG  30          HH11      ARG  30  14.125  10.370  -2.961
  251   HH22  ARG  30          HH12      ARG  30  13.979   9.967  -4.645
  252    H    VAL  31           H        VAL  31  15.890   8.682   1.722
  253    HA   VAL  31           HA       VAL  31  12.982   8.490   1.990
  254    HB   VAL  31           HB       VAL  31  13.044   9.803   4.103
  255   HG11  VAL  31          HG11      VAL  31  14.303   7.082   4.519
  256   HG12  VAL  31          HG12      VAL  31  13.174   7.945   5.585
  257   HG13  VAL  31          HG13      VAL  31  12.614   7.309   4.034
  258   HG21  VAL  31          HG21      VAL  31  15.962   8.944   4.340
  259   HG22  VAL  31          HG22      VAL  31  14.995   9.757   5.584
  260   HG23  VAL  31          HG23      VAL  31  15.384  10.606   4.090
  261    H    THR  32           H        THR  32  12.023  10.482   1.563
  262    HA   THR  32           HA       THR  32  13.786  12.777   0.937
  263    HB   THR  32           HB       THR  32  11.816  11.591  -1.066
  264    HG1  THR  32           HG1      THR  32  14.598  11.345  -0.760
  265   HG21  THR  32          HG21      THR  32  13.882  13.820  -1.360
  266   HG22  THR  32          HG22      THR  32  12.882  13.147  -2.667
  267   HG23  THR  32          HG23      THR  32  12.116  14.029  -1.339
  268    H    PHE  33           H        PHE  33  12.808  14.668   1.519
  269    HA   PHE  33           HA       PHE  33  10.061  14.461   2.676
  270    HB2  PHE  33           HB2      PHE  33  12.430  16.040   3.746
  271    HB3  PHE  33           HB3      PHE  33  10.868  15.825   4.509
  272    HD1  PHE  33           HD1      PHE  33  10.575  12.788   4.221
  273    HD2  PHE  33           HD2      PHE  33  13.934  15.229   5.370
  274    HE1  PHE  33           HE1      PHE  33  11.461  10.928   5.616
  275    HE2  PHE  33           HE2      PHE  33  14.813  13.352   6.746
  276    HZ   PHE  33           HZ       PHE  33  13.544  11.229   6.912
  277    H    TRP  34           H        TRP  34   8.775  15.642   1.325
  278    HA   TRP  34           HA       TRP  34   9.917  17.827  -0.279
  279    HB2  TRP  34           HB2      TRP  34   7.217  16.453  -0.116
  280    HB3  TRP  34           HB3      TRP  34   7.407  17.971  -0.976
  281    HD1  TRP  34           HD1      TRP  34   8.428  17.957  -3.315
  282    HE1  TRP  34           HE1      TRP  34   9.340  16.201  -4.920
  283    HE3  TRP  34           HE3      TRP  34   8.565  13.947  -0.118
  284    HZ2  TRP  34           HZ2      TRP  34  10.061  13.389  -4.838
  285    HZ3  TRP  34           HZ3      TRP  34   9.422  11.773  -0.900
  286    HH2  TRP  34           HH2      TRP  34  10.140  11.460  -3.255
  287    H    GLY  35           H        GLY  35   9.160  19.993  -0.225
  288    HA2  GLY  35           HA2      GLY  35   8.218  21.015   2.378
  289    HA3  GLY  35           HA3      GLY  35   8.754  21.959   0.974
  290    H    ASP  36           H        ASP  36   6.344  19.327   1.306
  291    HA   ASP  36           HA       ASP  36   4.609  20.292  -0.712
  292    HB2  ASP  36           HB2      ASP  36   4.619  17.960  -0.104
  293    HB3  ASP  36           HB3      ASP  36   4.141  18.336   1.555
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  13.262  -6.996  -6.512
    2    H2   GLY   1           H2       GLY   1  12.731  -8.029  -7.671
    3    H3   GLY   1           H3       GLY   1  12.258  -8.228  -6.112
    4    HA2  GLY   1           HA2      GLY   1  11.562  -5.951  -7.840
    5    HA3  GLY   1           HA3      GLY   1  10.473  -7.275  -7.402
    6    H    SER   2           H        SER   2   9.143  -6.898  -5.681
    7    HA   SER   2           HA       SER   2   9.160  -4.531  -4.170
    8    HB2  SER   2           HB2      SER   2   7.908  -7.200  -3.415
    9    HB3  SER   2           HB3      SER   2   7.368  -5.581  -2.935
   10    HG   SER   2           HG       SER   2   6.134  -6.437  -4.670
   11    H    GLY   3           H        GLY   3   9.518  -4.188  -1.881
   12    HA2  GLY   3           HA2      GLY   3  10.662  -6.004  -0.068
   13    HA3  GLY   3           HA3      GLY   3  11.979  -5.112  -0.854
   14    H    GLN   4           H        GLN   4  11.965  -4.560   1.675
   15    HA   GLN   4           HA       GLN   4  10.146  -2.558   2.602
   16    HB2  GLN   4           HB2      GLN   4  11.713  -4.056   3.974
   17    HB3  GLN   4           HB3      GLN   4  13.036  -3.012   3.467
   18    HG2  GLN   4           HG2      GLN   4  12.342  -2.347   5.669
   19    HG3  GLN   4           HG3      GLN   4  11.889  -1.070   4.555
   20   HE21  GLN   4          HE21      GLN   4  10.381  -0.335   6.225
   21   HE22  GLN   4          HE22      GLN   4   8.839  -1.154   6.448
   22    H    VAL   5           H        VAL   5  13.141  -2.415   0.690
   23    HA   VAL   5           HA       VAL   5  13.582   0.390   0.907
   24    HB   VAL   5           HB       VAL   5  15.326  -1.115   0.245
   25   HG11  VAL   5          HG11      VAL   5  14.088  -2.810  -1.065
   26   HG12  VAL   5          HG12      VAL   5  13.882  -1.634  -2.381
   27   HG13  VAL   5          HG13      VAL   5  15.500  -2.194  -1.927
   28   HG21  VAL   5          HG21      VAL   5  14.700   0.797  -2.030
   29   HG22  VAL   5          HG22      VAL   5  15.459   1.233  -0.482
   30   HG23  VAL   5          HG23      VAL   5  16.291   0.143  -1.598
   31    H    ARG   6           H        ARG   6  12.547   2.053   0.135
   32    HA   ARG   6           HA       ARG   6  10.955   1.968  -2.307
   33    HB2  ARG   6           HB2      ARG   6   8.800   2.385  -1.226
   34    HB3  ARG   6           HB3      ARG   6   9.451   0.857  -0.648
   35    HG2  ARG   6           HG2      ARG   6  10.380   2.278   1.369
   36    HG3  ARG   6           HG3      ARG   6   9.233   3.504   0.820
   37    HD2  ARG   6           HD2      ARG   6   7.406   1.779   0.979
   38    HD3  ARG   6           HD3      ARG   6   8.579   0.640   1.652
   39    HE   ARG   6           HE       ARG   6   7.236   2.810   2.986
   40   HH11  ARG   6          HH21      ARG   6  10.284   0.919   3.096
   41   HH12  ARG   6          HH22      ARG   6  10.582   1.331   4.767
   42   HH21  ARG   6          HH11      ARG   6   7.714   3.309   5.186
   43   HH22  ARG   6          HH12      ARG   6   9.180   2.728   5.922
   44    H    THR   7           H        THR   7  10.119   4.149  -2.798
   45    HA   THR   7           HA       THR   7  11.636   6.338  -1.509
   46    HB   THR   7           HB       THR   7   9.507   6.618  -3.664
   47    HG1  THR   7           HG1      THR   7  10.951   6.092  -5.222
   48   HG21  THR   7          HG21      THR   7  11.073   8.377  -4.512
   49   HG22  THR   7          HG22      THR   7  10.540   8.708  -2.864
   50   HG23  THR   7          HG23      THR   7  12.166   8.045  -3.151
   51    H    ILE   8           H        ILE   8  10.498   8.171  -0.745
   52    HA   ILE   8           HA       ILE   8   7.812   7.621   0.433
   53    HB   ILE   8           HB       ILE   8   8.442   8.372   2.560
   54   HG12  ILE   8          HG12      ILE   8  11.035   9.475   1.453
   55   HG13  ILE   8          HG13      ILE   8   9.605  10.416   1.910
   56   HG21  ILE   8          HG21      ILE   8  11.036   7.011   1.754
   57   HG22  ILE   8          HG22      ILE   8  10.185   6.919   3.300
   58   HG23  ILE   8          HG23      ILE   8   9.493   6.115   1.895
   59   HD11  ILE   8          HD11      ILE   8   9.749   9.400   4.202
   60   HD12  ILE   8          HD12      ILE   8  11.350   8.819   3.782
   61   HD13  ILE   8          HD13      ILE   8  11.030  10.565   3.789
   62    H    TRP   9           H        TRP   9   6.732   9.794   1.116
   63    HA   TRP   9           HA       TRP   9   7.735  12.129  -0.340
   64    HB2  TRP   9           HB2      TRP   9   5.889  10.507  -1.623
   65    HB3  TRP   9           HB3      TRP   9   4.865  11.731  -0.931
   66    HD1  TRP   9           HD1      TRP   9   7.052  11.005  -3.772
   67    HE1  TRP   9           HE1      TRP   9   7.428  13.022  -5.281
   68    HE3  TRP   9           HE3      TRP   9   5.382  14.697  -0.618
   69    HZ2  TRP   9           HZ2      TRP   9   7.038  15.890  -5.160
   70    HZ3  TRP   9           HZ3      TRP   9   5.480  17.071  -1.328
   71    HH2  TRP   9           HH2      TRP   9   6.270  17.673  -3.599
   72    H    VAL  10           H        VAL  10   7.974  11.916   2.247
   73    HA   VAL  10           HA       VAL  10   5.803  12.997   3.837
   74    HB   VAL  10           HB       VAL  10   8.827  13.158   4.136
   75   HG11  VAL  10          HG11      VAL  10   7.770  14.808   5.602
   76   HG12  VAL  10          HG12      VAL  10   6.629  13.584   6.205
   77   HG13  VAL  10          HG13      VAL  10   8.350  13.450   6.575
   78   HG21  VAL  10          HG21      VAL  10   8.086  10.810   4.081
   79   HG22  VAL  10          HG22      VAL  10   8.622  11.249   5.705
   80   HG23  VAL  10          HG23      VAL  10   6.885  11.143   5.325
   81    H    GLY  11           H        GLY  11   5.180  15.133   3.949
   82    HA2  GLY  11           HA2      GLY  11   6.781  17.205   2.508
   83    HA3  GLY  11           HA3      GLY  11   5.142  16.822   1.961
   84    H    GLY  12           H        GLY  12   4.165  16.430   4.760
   85    HA2  GLY  12           HA2      GLY  12   4.578  18.882   6.251
   86    HA3  GLY  12           HA3      GLY  12   3.023  18.839   5.380
   87    H    THR  13           H        THR  13   4.979  16.241   6.865
   88    HA   THR  13           HA       THR  13   2.771  15.440   8.657
   89    HB   THR  13           HB       THR  13   3.477  13.066   7.703
   90    HG1  THR  13           HG1      THR  13   4.124  13.014   5.734
   91   HG21  THR  13          HG21      THR  13   1.601  13.162   6.132
   92   HG22  THR  13          HG22      THR  13   1.196  14.011   7.632
   93   HG23  THR  13          HG23      THR  13   1.620  14.938   6.174
   94    HA   PRO  14           HA       PRO  14   6.945  15.523  10.645
   95    HB2  PRO  14           HB3      PRO  14   6.139  16.391  13.140
   96    HB3  PRO  14           HB2      PRO  14   6.538  17.473  11.771
   97    HG2  PRO  14           HG2      PRO  14   3.803  16.513  12.653
   98    HG3  PRO  14           HG3      PRO  14   4.310  18.180  12.230
   99    HD2  PRO  14           HD2      PRO  14   3.022  16.588  10.454
  100    HD3  PRO  14           HD3      PRO  14   4.332  17.681   9.917
  101    H    GLU  15           H        GLU  15   3.875  13.989  11.456
  102    HA   GLU  15           HA       GLU  15   4.911  12.142  13.381
  103    HB2  GLU  15           HB2      GLU  15   2.542  11.842  11.490
  104    HB3  GLU  15           HB3      GLU  15   2.864  10.845  12.907
  105    HG2  GLU  15           HG2      GLU  15   2.130  13.795  12.849
  106    HG3  GLU  15           HG3      GLU  15   1.158  12.461  13.458
  107    H    GLU  16           H        GLU  16   5.307  12.354   9.909
  108    HA   GLU  16           HA       GLU  16   6.184   9.527   9.715
  109    HB2  GLU  16           HB2      GLU  16   6.074  11.731   7.620
  110    HB3  GLU  16           HB3      GLU  16   6.572  10.051   7.357
  111    HG2  GLU  16           HG2      GLU  16   4.347   9.286   8.153
  112    HG3  GLU  16           HG3      GLU  16   3.828  10.962   8.292
  113    H    LEU  17           H        LEU  17   7.498  12.897   9.659
  114    HA   LEU  17           HA       LEU  17  10.247  12.189   9.370
  115    HB2  LEU  17           HB2      LEU  17   9.059  14.385  11.123
  116    HB3  LEU  17           HB3      LEU  17  10.749  14.238  10.672
  117    HG   LEU  17           HG       LEU  17   8.482  14.738   8.704
  118   HD11  LEU  17          HD11      LEU  17  10.593  16.647   9.805
  119   HD12  LEU  17          HD12      LEU  17   9.368  17.026   8.574
  120   HD13  LEU  17          HD13      LEU  17   8.872  16.660  10.232
  121   HD21  LEU  17          HD21      LEU  17  11.517  14.814   8.330
  122   HD22  LEU  17          HD22      LEU  17  10.419  13.588   7.673
  123   HD23  LEU  17          HD23      LEU  17  10.302  15.259   7.112
  124    H    LYS  18           H        LYS  18   8.044  11.963  12.121
  125    HA   LYS  18           HA       LYS  18   9.972  11.500  14.160
  126    HB2  LYS  18           HB2      LYS  18   7.581  12.153  14.425
  127    HB3  LYS  18           HB3      LYS  18   7.093  10.525  13.950
  128    HG2  LYS  18           HG2      LYS  18   8.186   9.588  15.944
  129    HG3  LYS  18           HG3      LYS  18   8.755  11.198  16.418
  130    HD2  LYS  18           HD2      LYS  18   5.822  10.418  16.078
  131    HD3  LYS  18           HD3      LYS  18   6.688  10.365  17.618
  132    HE2  LYS  18           HE2      LYS  18   7.081  12.765  17.575
  133    HE3  LYS  18           HE3      LYS  18   6.399  12.900  15.949
  134    HZ1  LYS  18           HZ1      LYS  18   4.818  13.544  17.662
  135    HZ2  LYS  18           HZ2      LYS  18   4.262  12.279  16.790
  136    HZ3  LYS  18           HZ3      LYS  18   4.848  12.048  18.318
  137    H    LYS  19           H        LYS  19   8.923   9.355  11.587
  138    HA   LYS  19           HA       LYS  19  10.035   6.989  13.076
  139    HB2  LYS  19           HB2      LYS  19   7.624   7.136  11.215
  140    HB3  LYS  19           HB3      LYS  19   8.312   5.652  11.889
  141    HG2  LYS  19           HG2      LYS  19   7.819   6.435  14.181
  142    HG3  LYS  19           HG3      LYS  19   7.126   7.935  13.536
  143    HD2  LYS  19           HD2      LYS  19   5.436   6.630  12.283
  144    HD3  LYS  19           HD3      LYS  19   6.070   5.127  12.964
  145    HE2  LYS  19           HE2      LYS  19   4.933   7.457  14.586
  146    HE3  LYS  19           HE3      LYS  19   4.009   6.036  14.098
  147    HZ1  LYS  19           HZ1      LYS  19   5.524   4.662  15.400
  148    HZ2  LYS  19           HZ2      LYS  19   6.373   5.976  15.885
  149    HZ3  LYS  19           HZ3      LYS  19   4.820   5.788  16.338
  150    H    LEU  20           H        LEU  20   9.447   8.385   9.784
  151    HA   LEU  20           HA       LEU  20  10.899   6.243   8.526
  152    HB2  LEU  20           HB2      LEU  20  10.198   8.978   7.389
  153    HB3  LEU  20           HB3      LEU  20  10.700   7.550   6.483
  154    HG   LEU  20           HG       LEU  20   8.093   7.976   7.996
  155   HD11  LEU  20          HD11      LEU  20   8.175   8.922   5.768
  156   HD12  LEU  20          HD12      LEU  20   8.625   7.344   5.079
  157   HD13  LEU  20          HD13      LEU  20   7.036   7.584   5.840
  158   HD21  LEU  20          HD21      LEU  20   8.711   5.638   8.439
  159   HD22  LEU  20          HD22      LEU  20   7.419   5.685   7.246
  160   HD23  LEU  20          HD23      LEU  20   9.093   5.387   6.721
  161    H    LYS  21           H        LYS  21  11.909   9.423   9.811
  162    HA   LYS  21           HA       LYS  21  14.569   9.322   8.735
  163    HB2  LYS  21           HB2      LYS  21  13.599  11.348   9.762
  164    HB3  LYS  21           HB3      LYS  21  13.510  10.533  11.325
  165    HG2  LYS  21           HG2      LYS  21  15.352  12.128  11.200
  166    HG3  LYS  21           HG3      LYS  21  15.913  10.498  11.550
  167    HD2  LYS  21           HD2      LYS  21  16.743  10.201   9.295
  168    HD3  LYS  21           HD3      LYS  21  15.994  11.710   8.746
  169    HE2  LYS  21           HE2      LYS  21  18.188  11.495  10.863
  170    HE3  LYS  21           HE3      LYS  21  18.486  11.801   9.150
  171    HZ1  LYS  21           HZ1      LYS  21  16.949  13.592  10.943
  172    HZ2  LYS  21           HZ2      LYS  21  18.459  13.851  10.396
  173    HZ3  LYS  21           HZ3      LYS  21  17.216  13.857   9.349
  174    H    GLU  22           H        GLU  22  13.081   7.737  11.607
  175    HA   GLU  22           HA       GLU  22  15.617   6.715  12.562
  176    HB2  GLU  22           HB2      GLU  22  13.594   6.971  13.999
  177    HB3  GLU  22           HB3      GLU  22  12.800   5.673  13.095
  178    HG2  GLU  22           HG2      GLU  22  14.575   4.091  13.770
  179    HG3  GLU  22           HG3      GLU  22  15.428   5.388  14.610
  180    H    GLU  23           H        GLU  23  12.992   5.460  10.419
  181    HA   GLU  23           HA       GLU  23  14.109   2.924   9.988
  182    HB2  GLU  23           HB2      GLU  23  11.796   3.834   9.316
  183    HB3  GLU  23           HB3      GLU  23  12.587   4.456   7.852
  184    HG2  GLU  23           HG2      GLU  23  13.440   2.103   7.422
  185    HG3  GLU  23           HG3      GLU  23  12.531   1.554   8.827
  186    H    ALA  24           H        ALA  24  14.817   6.004   8.319
  187    HA   ALA  24           HA       ALA  24  16.576   5.040   6.340
  188    HB1  ALA  24           HB1      ALA  24  15.603   7.382   6.615
  189    HB2  ALA  24           HB2      ALA  24  16.843   7.678   7.842
  190    HB3  ALA  24           HB3      ALA  24  17.322   7.321   6.173
  191    H    LYS  25           H        LYS  25  17.038   4.958   9.717
  192    HA   LYS  25           HA       LYS  25  20.005   4.685   9.460
  193    HB2  LYS  25           HB2      LYS  25  18.303   5.587  11.825
  194    HB3  LYS  25           HB3      LYS  25  20.056   5.366  11.847
  195    HG2  LYS  25           HG2      LYS  25  20.384   7.181  10.257
  196    HG3  LYS  25           HG3      LYS  25  18.655   7.318   9.955
  197    HD2  LYS  25           HD2      LYS  25  19.300   9.130  11.357
  198    HD3  LYS  25           HD3      LYS  25  18.260   8.038  12.278
  199    HE2  LYS  25           HE2      LYS  25  20.269   7.028  13.356
  200    HE3  LYS  25           HE3      LYS  25  21.317   8.090  12.409
  201    HZ1  LYS  25           HZ1      LYS  25  19.346   9.004  14.426
  202    HZ2  LYS  25           HZ2      LYS  25  20.959   8.944  14.634
  203    HZ3  LYS  25           HZ3      LYS  25  20.327   9.983  13.555
  204    H    LYS  26           H        LYS  26  16.950   3.243  10.549
  205    HA   LYS  26           HA       LYS  26  18.166   1.017  11.946
  206    HB2  LYS  26           HB2      LYS  26  15.787   1.833  12.242
  207    HB3  LYS  26           HB3      LYS  26  15.434   1.268  10.606
  208    HG2  LYS  26           HG2      LYS  26  14.600  -0.306  12.234
  209    HG3  LYS  26           HG3      LYS  26  15.872  -1.060  11.276
  210    HD2  LYS  26           HD2      LYS  26  17.480  -0.764  13.131
  211    HD3  LYS  26           HD3      LYS  26  16.249   0.110  14.073
  212    HE2  LYS  26           HE2      LYS  26  14.810  -1.918  14.047
  213    HE3  LYS  26           HE3      LYS  26  16.036  -2.780  13.109
  214    HZ1  LYS  26           HZ1      LYS  26  17.552  -2.535  14.988
  215    HZ2  LYS  26           HZ2      LYS  26  16.419  -1.734  15.855
  216    HZ3  LYS  26           HZ3      LYS  26  16.193  -3.296  15.459
  217    H    ALA  27           H        ALA  27  17.135   1.699   8.601
  218    HA   ALA  27           HA       ALA  27  18.510  -0.756   7.642
  219    HB1  ALA  27           HB1      ALA  27  16.629  -1.087   6.059
  220    HB2  ALA  27           HB2      ALA  27  16.067  -1.184   7.734
  221    HB3  ALA  27           HB3      ALA  27  15.766   0.288   6.786
  222    H    ASN  28           H        ASN  28  18.813  -0.570   5.229
  223    HA   ASN  28           HA       ASN  28  20.299   1.847   4.698
  224    HB2  ASN  28           HB2      ASN  28  20.985  -0.494   4.070
  225    HB3  ASN  28           HB3      ASN  28  19.671  -0.526   2.886
  226   HD21  ASN  28          HD21      ASN  28  22.505   1.584   3.807
  227   HD22  ASN  28          HD22      ASN  28  22.968   1.915   2.162
  228    H    ILE  29           H        ILE  29  17.017   1.437   4.439
  229    HA   ILE  29           HA       ILE  29  16.447   2.019   1.761
  230    HB   ILE  29           HB       ILE  29  14.148   2.449   2.471
  231   HG12  ILE  29          HG12      ILE  29  13.558   1.961   4.909
  232   HG13  ILE  29          HG13      ILE  29  15.231   2.262   5.351
  233   HG21  ILE  29          HG21      ILE  29  15.243   0.116   2.329
  234   HG22  ILE  29          HG22      ILE  29  15.345   0.129   4.089
  235   HG23  ILE  29          HG23      ILE  29  13.765   0.218   3.308
  236   HD11  ILE  29          HD11      ILE  29  13.345   4.305   4.104
  237   HD12  ILE  29          HD12      ILE  29  13.700   4.133   5.837
  238   HD13  ILE  29          HD13      ILE  29  14.978   4.618   4.747
  239    H    ARG  30           H        ARG  30  15.709   3.845   0.666
  240    HA   ARG  30           HA       ARG  30  17.083   6.332   1.392
  241    HB2  ARG  30           HB2      ARG  30  16.217   7.165  -0.743
  242    HB3  ARG  30           HB3      ARG  30  17.064   5.634  -0.941
  243    HG2  ARG  30           HG2      ARG  30  14.868   4.443  -1.069
  244    HG3  ARG  30           HG3      ARG  30  14.030   5.998  -0.903
  245    HD2  ARG  30           HD2      ARG  30  15.017   6.808  -2.981
  246    HD3  ARG  30           HD3      ARG  30  16.005   5.355  -3.137
  247    HE   ARG  30           HE       ARG  30  13.117   5.654  -3.667
  248   HH11  ARG  30          HH22      ARG  30  15.823   3.347  -3.426
  249   HH12  ARG  30          HH21      ARG  30  14.984   2.100  -4.269
  250   HH21  ARG  30          HH11      ARG  30  12.044   4.067  -4.704
  251   HH22  ARG  30          HH12      ARG  30  12.745   2.503  -5.022
  252    H    VAL  31           H        VAL  31  16.066   8.312   1.678
  253    HA   VAL  31           HA       VAL  31  13.163   8.431   2.085
  254    HB   VAL  31           HB       VAL  31  13.405   9.691   4.203
  255   HG11  VAL  31          HG11      VAL  31  14.565   6.905   4.544
  256   HG12  VAL  31          HG12      VAL  31  12.867   7.203   4.160
  257   HG13  VAL  31          HG13      VAL  31  13.540   7.812   5.672
  258   HG21  VAL  31          HG21      VAL  31  15.774  10.385   4.057
  259   HG22  VAL  31          HG22      VAL  31  15.433   9.546   5.570
  260   HG23  VAL  31          HG23      VAL  31  16.291   8.698   4.268
  261    H    THR  32           H        THR  32  12.385  10.568   1.882
  262    HA   THR  32           HA       THR  32  14.261  12.751   1.307
  263    HB   THR  32           HB       THR  32  12.169  11.929  -0.763
  264    HG1  THR  32           HG1      THR  32  14.717  11.092  -0.395
  265   HG21  THR  32          HG21      THR  32  14.395  14.023  -0.858
  266   HG22  THR  32          HG22      THR  32  13.346  13.568  -2.220
  267   HG23  THR  32          HG23      THR  32  12.647  14.346  -0.798
  268    H    PHE  33           H        PHE  33  13.326  14.725   1.817
  269    HA   PHE  33           HA       PHE  33  10.602  14.603   3.039
  270    HB2  PHE  33           HB2      PHE  33  13.055  15.959   4.211
  271    HB3  PHE  33           HB3      PHE  33  11.475  15.784   4.948
  272    HD1  PHE  33           HD2      PHE  33  10.708  13.133   5.109
  273    HD2  PHE  33           HD1      PHE  33  14.756  14.599   5.063
  274    HE1  PHE  33           HE2      PHE  33  11.441  11.123   6.355
  275    HE2  PHE  33           HE1      PHE  33  15.492  12.578   6.297
  276    HZ   PHE  33           HZ       PHE  33  13.826  10.859   6.987
  277    H    TRP  34           H        TRP  34   9.372  15.985   1.898
  278    HA   TRP  34           HA       TRP  34  10.502  18.451   0.708
  279    HB2  TRP  34           HB2      TRP  34   7.823  17.022   0.516
  280    HB3  TRP  34           HB3      TRP  34   8.046  18.657  -0.069
  281    HD1  TRP  34           HD1      TRP  34   9.088  19.005  -2.353
  282    HE1  TRP  34           HE1      TRP  34  10.012  17.530  -4.217
  283    HE3  TRP  34           HE3      TRP  34   9.104  14.507   0.113
  284    HZ2  TRP  34           HZ2      TRP  34  10.685  14.736  -4.600
  285    HZ3  TRP  34           HZ3      TRP  34   9.901  12.470  -1.027
  286    HH2  TRP  34           HH2      TRP  34  10.680  12.559  -3.382
  287    H    GLY  35           H        GLY  35   9.106  20.411   1.036
  288    HA2  GLY  35           HA2      GLY  35   7.834  20.686   3.708
  289    HA3  GLY  35           HA3      GLY  35   9.014  21.890   3.128
  290    H    ASP  36           H        ASP  36   6.104  20.088   2.122
  291    HA   ASP  36           HA       ASP  36   5.661  21.384  -0.350
  292    HB2  ASP  36           HB2      ASP  36   4.702  19.227   0.089
  293    HB3  ASP  36           HB3      ASP  36   3.793  19.842   1.474
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  21.871  -7.776   0.166
    2    H2   GLY   1           H2       GLY   1  20.814  -8.563  -0.805
    3    H3   GLY   1           H3       GLY   1  21.534  -9.359   0.435
    4    HA2  GLY   1           HA2      GLY   1  19.262  -8.847   1.003
    5    HA3  GLY   1           HA3      GLY   1  20.411  -8.009   2.056
    6    H    SER   2           H        SER   2  17.634  -7.571   0.201
    7    HA   SER   2           HA       SER   2  18.062  -4.993  -0.959
    8    HB2  SER   2           HB2      SER   2  15.487  -5.051  -0.933
    9    HB3  SER   2           HB3      SER   2  16.331  -6.319  -1.836
   10    HG   SER   2           HG       SER   2  14.670  -7.180  -0.530
   11    H    GLY   3           H        GLY   3  17.184  -6.045   2.315
   12    HA2  GLY   3           HA2      GLY   3  16.807  -4.892   4.250
   13    HA3  GLY   3           HA3      GLY   3  17.763  -3.577   3.557
   14    H    GLN   4           H        GLN   4  14.684  -4.974   2.469
   15    HA   GLN   4           HA       GLN   4  12.762  -4.145   1.794
   16    HB2  GLN   4           HB2      GLN   4  11.370  -3.115   3.475
   17    HB3  GLN   4           HB3      GLN   4  12.343  -4.400   4.169
   18    HG2  GLN   4           HG2      GLN   4  13.762  -2.848   5.318
   19    HG3  GLN   4           HG3      GLN   4  13.174  -1.494   4.355
   20   HE21  GLN   4          HE21      GLN   4  12.484  -0.177   6.014
   21   HE22  GLN   4          HE22      GLN   4  11.267  -0.585   7.190
   22    H    VAL   5           H        VAL   5  15.106  -2.449   0.907
   23    HA   VAL   5           HA       VAL   5  14.792   0.192   1.061
   24    HB   VAL   5           HB       VAL   5  16.668  -0.801   0.085
   25   HG11  VAL   5          HG11      VAL   5  15.607  -2.609  -1.284
   26   HG12  VAL   5          HG12      VAL   5  15.070  -1.384  -2.448
   27   HG13  VAL   5          HG13      VAL   5  16.802  -1.676  -2.191
   28   HG21  VAL   5          HG21      VAL   5  17.190   0.740  -1.690
   29   HG22  VAL   5          HG22      VAL   5  15.474   1.082  -1.977
   30   HG23  VAL   5          HG23      VAL   5  16.246   1.569  -0.450
   31    H    ARG   6           H        ARG   6  13.670   1.888   0.255
   32    HA   ARG   6           HA       ARG   6  11.949   1.801  -2.023
   33    HB2  ARG   6           HB2      ARG   6   9.824   2.204  -0.889
   34    HB3  ARG   6           HB3      ARG   6  10.485   0.665  -0.386
   35    HG2  ARG   6           HG2      ARG   6  11.444   2.042   1.679
   36    HG3  ARG   6           HG3      ARG   6  10.276   3.265   1.183
   37    HD2  ARG   6           HD2      ARG   6   9.311   1.845   2.911
   38    HD3  ARG   6           HD3      ARG   6   8.462   1.575   1.377
   39    HE   ARG   6           HE       ARG   6  10.719  -0.238   1.901
   40   HH11  ARG   6          HH22      ARG   6   7.217   0.158   2.386
   41   HH12  ARG   6          HH21      ARG   6   6.890  -1.534   2.329
   42   HH21  ARG   6          HH11      ARG   6  10.304  -2.396   1.771
   43   HH22  ARG   6          HH12      ARG   6   8.712  -3.054   1.996
   44    H    THR   7           H        THR   7  10.613   4.016  -1.851
   45    HA   THR   7           HA       THR   7  12.294   6.219  -0.741
   46    HB   THR   7           HB       THR   7  10.793   6.346  -3.384
   47    HG1  THR   7           HG1      THR   7  12.302   4.731  -3.653
   48   HG21  THR   7          HG21      THR   7  11.455   8.517  -2.501
   49   HG22  THR   7          HG22      THR   7  13.123   7.951  -2.237
   50   HG23  THR   7          HG23      THR   7  12.477   8.123  -3.884
   51    H    ILE   8           H        ILE   8  11.052   8.089  -0.281
   52    HA   ILE   8           HA       ILE   8   8.229   7.468   0.467
   53    HB   ILE   8           HB       ILE   8   8.544   8.502   2.552
   54   HG12  ILE   8          HG12      ILE   8  11.180   9.658   1.627
   55   HG13  ILE   8          HG13      ILE   8   9.657  10.543   1.788
   56   HG21  ILE   8          HG21      ILE   8  11.291   7.265   2.173
   57   HG22  ILE   8          HG22      ILE   8  10.288   7.255   3.624
   58   HG23  ILE   8          HG23      ILE   8   9.807   6.268   2.244
   59   HD11  ILE   8          HD11      ILE   8  10.869  11.000   3.766
   60   HD12  ILE   8          HD12      ILE   8   9.533   9.887   4.165
   61   HD13  ILE   8          HD13      ILE   8  11.192   9.285   4.070
   62    H    TRP   9           H        TRP   9   6.893   9.519   0.791
   63    HA   TRP   9           HA       TRP   9   7.852  11.885  -0.624
   64    HB2  TRP   9           HB2      TRP   9   6.545  10.103  -2.170
   65    HB3  TRP   9           HB3      TRP   9   5.158  10.961  -1.564
   66    HD1  TRP   9           HD1      TRP   9   7.700  10.973  -4.145
   67    HE1  TRP   9           HE1      TRP   9   7.665  13.083  -5.580
   68    HE3  TRP   9           HE3      TRP   9   5.013  14.019  -1.017
   69    HZ2  TRP   9           HZ2      TRP   9   6.597  15.767  -5.404
   70    HZ3  TRP   9           HZ3      TRP   9   4.644  16.397  -1.623
   71    HH2  TRP   9           HH2      TRP   9   5.379  17.263  -3.825
   72    H    VAL  10           H        VAL  10   7.891  12.308   1.742
   73    HA   VAL  10           HA       VAL  10   5.177  13.102   2.749
   74    HB   VAL  10           HB       VAL  10   5.811  12.607   4.958
   75   HG11  VAL  10          HG11      VAL  10   5.008  10.702   3.530
   76   HG12  VAL  10          HG12      VAL  10   6.703  10.185   3.362
   77   HG13  VAL  10          HG13      VAL  10   5.933  10.232   4.961
   78   HG21  VAL  10          HG21      VAL  10   8.086  13.238   5.081
   79   HG22  VAL  10          HG22      VAL  10   7.989  11.548   5.570
   80   HG23  VAL  10          HG23      VAL  10   8.587  11.976   3.942
   81    H    GLY  11           H        GLY  11   5.113  14.897   4.148
   82    HA2  GLY  11           HA2      GLY  11   7.099  16.734   4.704
   83    HA3  GLY  11           HA3      GLY  11   6.430  17.216   3.126
   84    H    GLY  12           H        GLY  12   6.129  18.633   5.711
   85    HA2  GLY  12           HA2      GLY  12   4.549  19.598   7.047
   86    HA3  GLY  12           HA3      GLY  12   3.337  19.163   5.826
   87    H    THR  13           H        THR  13   5.373  16.779   7.495
   88    HA   THR  13           HA       THR  13   3.071  15.692   9.022
   89    HB   THR  13           HB       THR  13   3.952  13.436   8.082
   90    HG1  THR  13           HG1      THR  13   5.787  14.098   7.061
   91   HG21  THR  13          HG21      THR  13   2.583  13.571   6.065
   92   HG22  THR  13          HG22      THR  13   1.773  14.343   7.439
   93   HG23  THR  13          HG23      THR  13   2.533  15.340   6.184
   94    HA   PRO  14           HA       PRO  14   7.309  16.140  11.050
   95    HB2  PRO  14           HB3      PRO  14   6.602  17.404  13.389
   96    HB3  PRO  14           HB2      PRO  14   6.938  18.246  11.847
   97    HG2  PRO  14           HG2      PRO  14   4.240  17.430  12.971
   98    HG3  PRO  14           HG3      PRO  14   4.727  19.024  12.305
   99    HD2  PRO  14           HD2      PRO  14   3.394  17.228  10.782
  100    HD3  PRO  14           HD3      PRO  14   4.729  18.200  10.089
  101    H    GLU  15           H        GLU  15   4.297  14.730  12.180
  102    HA   GLU  15           HA       GLU  15   5.618  13.302  14.331
  103    HB2  GLU  15           HB2      GLU  15   3.137  14.304  14.167
  104    HB3  GLU  15           HB3      GLU  15   2.798  12.716  13.485
  105    HG2  GLU  15           HG2      GLU  15   2.355  12.566  15.815
  106    HG3  GLU  15           HG3      GLU  15   3.881  11.720  15.596
  107    H    GLU  16           H        GLU  16   5.498  12.817  11.028
  108    HA   GLU  16           HA       GLU  16   5.655   9.834  11.310
  109    HB2  GLU  16           HB2      GLU  16   4.423  11.464   9.057
  110    HB3  GLU  16           HB3      GLU  16   4.641   9.708   9.068
  111    HG2  GLU  16           HG2      GLU  16   3.230   9.575  11.132
  112    HG3  GLU  16           HG3      GLU  16   2.939  11.312  11.022
  113    H    LEU  17           H        LEU  17   6.903  12.765   9.622
  114    HA   LEU  17           HA       LEU  17   8.911  11.356   8.203
  115    HB2  LEU  17           HB2      LEU  17   9.964  13.417   7.771
  116    HB3  LEU  17           HB3      LEU  17   8.227  13.588   7.597
  117    HG   LEU  17           HG       LEU  17   8.411  14.394  10.100
  118   HD11  LEU  17          HD11      LEU  17  10.865  14.095  10.406
  119   HD12  LEU  17          HD12      LEU  17  11.168  15.154   9.020
  120   HD13  LEU  17          HD13      LEU  17  10.434  15.798  10.503
  121   HD21  LEU  17          HD21      LEU  17   9.221  16.121   7.702
  122   HD22  LEU  17          HD22      LEU  17   7.561  15.755   8.207
  123   HD23  LEU  17          HD23      LEU  17   8.594  16.757   9.238
  124    H    LYS  18           H        LYS  18   8.605  12.207  11.624
  125    HA   LYS  18           HA       LYS  18  11.422  11.701  12.158
  126    HB2  LYS  18           HB2      LYS  18  10.810  11.486  14.498
  127    HB3  LYS  18           HB3      LYS  18  10.212  12.975  13.775
  128    HG2  LYS  18           HG2      LYS  18   7.933  12.154  13.765
  129    HG3  LYS  18           HG3      LYS  18   8.447  10.523  14.179
  130    HD2  LYS  18           HD2      LYS  18   7.489  11.641  16.132
  131    HD3  LYS  18           HD3      LYS  18   9.163  11.172  16.369
  132    HE2  LYS  18           HE2      LYS  18   8.922  13.298  17.371
  133    HE3  LYS  18           HE3      LYS  18   9.871  13.548  15.907
  134    HZ1  LYS  18           HZ1      LYS  18   8.141  15.218  16.199
  135    HZ2  LYS  18           HZ2      LYS  18   7.838  14.369  14.831
  136    HZ3  LYS  18           HZ3      LYS  18   6.961  14.081  16.204
  137    H    LYS  19           H        LYS  19   8.532   9.621  11.887
  138    HA   LYS  19           HA       LYS  19   9.871   7.256  12.921
  139    HB2  LYS  19           HB2      LYS  19   7.382   7.497  11.157
  140    HB3  LYS  19           HB3      LYS  19   7.948   6.039  11.972
  141    HG2  LYS  19           HG2      LYS  19   7.620   7.126  14.183
  142    HG3  LYS  19           HG3      LYS  19   7.102   8.611  13.387
  143    HD2  LYS  19           HD2      LYS  19   5.135   7.454  14.142
  144    HD3  LYS  19           HD3      LYS  19   5.173   7.459  12.386
  145    HE2  LYS  19           HE2      LYS  19   4.417   5.300  13.103
  146    HE3  LYS  19           HE3      LYS  19   6.020   5.102  12.403
  147    HZ1  LYS  19           HZ1      LYS  19   6.912   5.001  14.673
  148    HZ2  LYS  19           HZ2      LYS  19   5.417   5.212  15.308
  149    HZ3  LYS  19           HZ3      LYS  19   5.764   3.865  14.466
  150    H    LEU  20           H        LEU  20   9.174   8.592   9.637
  151    HA   LEU  20           HA       LEU  20  10.584   6.439   8.330
  152    HB2  LEU  20           HB2      LEU  20   9.903   9.215   7.292
  153    HB3  LEU  20           HB3      LEU  20  10.500   7.866   6.322
  154    HG   LEU  20           HG       LEU  20   7.839   7.990   7.814
  155   HD11  LEU  20          HD11      LEU  20   7.943   9.275   5.732
  156   HD12  LEU  20          HD12      LEU  20   8.405   7.803   4.846
  157   HD13  LEU  20          HD13      LEU  20   6.818   7.916   5.629
  158   HD21  LEU  20          HD21      LEU  20   8.575   5.663   7.922
  159   HD22  LEU  20          HD22      LEU  20   7.326   5.804   6.692
  160   HD23  LEU  20          HD23      LEU  20   9.029   5.687   6.200
  161    H    LYS  21           H        LYS  21  11.693   9.656   9.551
  162    HA   LYS  21           HA       LYS  21  14.354   9.324   8.588
  163    HB2  LYS  21           HB2      LYS  21  13.513  11.444   9.517
  164    HB3  LYS  21           HB3      LYS  21  13.381  10.716  11.119
  165    HG2  LYS  21           HG2      LYS  21  15.332  12.156  10.936
  166    HG3  LYS  21           HG3      LYS  21  15.816  10.496  11.266
  167    HD2  LYS  21           HD2      LYS  21  16.464  10.161   8.924
  168    HD3  LYS  21           HD3      LYS  21  15.853  11.759   8.481
  169    HE2  LYS  21           HE2      LYS  21  18.128  11.226  10.450
  170    HE3  LYS  21           HE3      LYS  21  18.355  11.584   8.739
  171    HZ1  LYS  21           HZ1      LYS  21  18.611  13.563  10.067
  172    HZ2  LYS  21           HZ2      LYS  21  17.315  13.744   9.102
  173    HZ3  LYS  21           HZ3      LYS  21  17.117  13.431  10.697
  174    H    GLU  22           H        GLU  22  12.853   8.020  11.622
  175    HA   GLU  22           HA       GLU  22  15.226   6.784  12.596
  176    HB2  GLU  22           HB2      GLU  22  13.142   7.011  13.904
  177    HB3  GLU  22           HB3      GLU  22  12.327   5.881  12.826
  178    HG2  GLU  22           HG2      GLU  22  14.021   4.120  13.484
  179    HG3  GLU  22           HG3      GLU  22  14.646   5.257  14.681
  180    H    GLU  23           H        GLU  23  12.689   5.577  10.356
  181    HA   GLU  23           HA       GLU  23  13.742   3.063   9.833
  182    HB2  GLU  23           HB2      GLU  23  11.486   4.303   9.091
  183    HB3  GLU  23           HB3      GLU  23  12.405   4.626   7.629
  184    HG2  GLU  23           HG2      GLU  23  11.269   2.638   7.165
  185    HG3  GLU  23           HG3      GLU  23  12.894   2.083   7.563
  186    H    ALA  24           H        ALA  24  14.689   6.185   8.413
  187    HA   ALA  24           HA       ALA  24  16.283   5.236   6.299
  188    HB1  ALA  24           HB1      ALA  24  16.888   7.722   7.949
  189    HB2  ALA  24           HB2      ALA  24  17.231   7.433   6.239
  190    HB3  ALA  24           HB3      ALA  24  15.555   7.643   6.789
  191    H    LYS  25           H        LYS  25  16.960   5.176   9.745
  192    HA   LYS  25           HA       LYS  25  19.779   4.318   9.182
  193    HB2  LYS  25           HB2      LYS  25  18.448   5.086  11.819
  194    HB3  LYS  25           HB3      LYS  25  20.052   4.402  11.647
  195    HG2  LYS  25           HG2      LYS  25  20.591   6.612  11.812
  196    HG3  LYS  25           HG3      LYS  25  20.601   6.378  10.078
  197    HD2  LYS  25           HD2      LYS  25  19.559   8.506  10.622
  198    HD3  LYS  25           HD3      LYS  25  18.358   7.446   9.916
  199    HE2  LYS  25           HE2      LYS  25  17.345   8.609  11.753
  200    HE3  LYS  25           HE3      LYS  25  17.484   6.910  12.192
  201    HZ1  LYS  25           HZ1      LYS  25  19.435   7.488  13.541
  202    HZ2  LYS  25           HZ2      LYS  25  19.325   9.060  13.103
  203    HZ3  LYS  25           HZ3      LYS  25  18.157   8.380  14.008
  204    H    LYS  26           H        LYS  26  16.593   3.253  10.396
  205    HA   LYS  26           HA       LYS  26  17.518   0.821  11.570
  206    HB2  LYS  26           HB2      LYS  26  15.272   2.060  11.805
  207    HB3  LYS  26           HB3      LYS  26  14.794   1.252  10.302
  208    HG2  LYS  26           HG2      LYS  26  15.249  -0.965  11.411
  209    HG3  LYS  26           HG3      LYS  26  15.572  -0.103  12.925
  210    HD2  LYS  26           HD2      LYS  26  12.974  -0.032  11.333
  211    HD3  LYS  26           HD3      LYS  26  13.242  -1.012  12.775
  212    HE2  LYS  26           HE2      LYS  26  13.278   0.838  14.227
  213    HE3  LYS  26           HE3      LYS  26  13.693   1.972  12.944
  214    HZ1  LYS  26           HZ1      LYS  26  11.492   1.703  12.021
  215    HZ2  LYS  26           HZ2      LYS  26  11.048   0.739  13.288
  216    HZ3  LYS  26           HZ3      LYS  26  11.479   2.308  13.568
  217    H    ALA  27           H        ALA  27  16.563   1.640   8.233
  218    HA   ALA  27           HA       ALA  27  17.212  -1.132   7.327
  219    HB1  ALA  27           HB1      ALA  27  14.771  -0.812   7.599
  220    HB2  ALA  27           HB2      ALA  27  14.840   0.630   6.560
  221    HB3  ALA  27           HB3      ALA  27  15.208  -0.978   5.894
  222    H    ASN  28           H        ASN  28  17.120  -1.084   4.782
  223    HA   ASN  28           HA       ASN  28  19.264   0.721   3.923
  224    HB2  ASN  28           HB2      ASN  28  19.124  -1.762   3.404
  225    HB3  ASN  28           HB3      ASN  28  17.710  -1.387   2.398
  226   HD21  ASN  28          HD21      ASN  28  18.556  -2.026   0.425
  227   HD22  ASN  28          HD22      ASN  28  19.929  -1.240  -0.336
  228    H    ILE  29           H        ILE  29  16.035   1.259   4.198
  229    HA   ILE  29           HA       ILE  29  15.248   2.206   1.621
  230    HB   ILE  29           HB       ILE  29  13.383   3.194   2.732
  231   HG12  ILE  29          HG12      ILE  29  13.217   2.802   5.345
  232   HG13  ILE  29          HG13      ILE  29  14.974   2.909   5.308
  233   HG21  ILE  29          HG21      ILE  29  13.332   0.772   2.471
  234   HG22  ILE  29          HG22      ILE  29  14.050   0.546   4.075
  235   HG23  ILE  29          HG23      ILE  29  12.433   1.259   3.892
  236   HD11  ILE  29          HD11      ILE  29  13.040   5.021   4.231
  237   HD12  ILE  29          HD12      ILE  29  13.795   5.057   5.830
  238   HD13  ILE  29          HD13      ILE  29  14.805   5.189   4.391
  239    H    ARG  30           H        ARG  30  14.844   4.468   1.029
  240    HA   ARG  30           HA       ARG  30  16.831   6.378   2.208
  241    HB2  ARG  30           HB2      ARG  30  17.080   7.407   0.023
  242    HB3  ARG  30           HB3      ARG  30  17.605   5.724  -0.028
  243    HG2  ARG  30           HG2      ARG  30  15.515   5.062  -1.139
  244    HG3  ARG  30           HG3      ARG  30  14.881   6.712  -0.989
  245    HD2  ARG  30           HD2      ARG  30  16.762   7.527  -2.415
  246    HD3  ARG  30           HD3      ARG  30  17.287   5.838  -2.634
  247    HE   ARG  30           HE       ARG  30  14.533   5.986  -3.254
  248   HH11  ARG  30          HH22      ARG  30  17.564   7.191  -4.676
  249   HH12  ARG  30          HH21      ARG  30  16.908   7.307  -6.267
  250   HH21  ARG  30          HH11      ARG  30  13.687   6.144  -5.241
  251   HH22  ARG  30          HH12      ARG  30  14.607   6.672  -6.623
  252    H    VAL  31           H        VAL  31  16.157   8.533   2.239
  253    HA   VAL  31           HA       VAL  31  13.199   8.866   2.224
  254    HB   VAL  31           HB       VAL  31  13.389  10.160   4.300
  255   HG11  VAL  31          HG11      VAL  31  14.496   7.372   4.720
  256   HG12  VAL  31          HG12      VAL  31  13.432   8.292   5.793
  257   HG13  VAL  31          HG13      VAL  31  12.815   7.675   4.258
  258   HG21  VAL  31          HG21      VAL  31  16.251   9.102   4.495
  259   HG22  VAL  31          HG22      VAL  31  15.776  10.800   4.280
  260   HG23  VAL  31          HG23      VAL  31  15.359   9.948   5.769
  261    H    THR  32           H        THR  32  12.402  10.869   1.797
  262    HA   THR  32           HA       THR  32  14.198  13.113   1.156
  263    HB   THR  32           HB       THR  32  12.085  12.105  -0.805
  264    HG1  THR  32           HG1      THR  32  13.718  11.309  -2.050
  265   HG21  THR  32          HG21      THR  32  13.196  13.681  -2.375
  266   HG22  THR  32          HG22      THR  32  12.582  14.527  -0.951
  267   HG23  THR  32          HG23      THR  32  14.319  14.175  -1.088
  268    H    PHE  33           H        PHE  33  13.217  14.973   1.899
  269    HA   PHE  33           HA       PHE  33  10.446  14.684   2.987
  270    HB2  PHE  33           HB2      PHE  33  12.828  16.101   4.230
  271    HB3  PHE  33           HB3      PHE  33  11.208  15.994   4.896
  272    HD1  PHE  33           HD2      PHE  33  10.280  13.494   5.204
  273    HD2  PHE  33           HD1      PHE  33  14.451  14.566   5.011
  274    HE1  PHE  33           HE2      PHE  33  10.870  11.443   6.472
  275    HE2  PHE  33           HE1      PHE  33  15.033  12.503   6.262
  276    HZ   PHE  33           HZ       PHE  33  13.237  10.952   7.017
  277    H    TRP  34           H        TRP  34   9.149  15.955   1.876
  278    HA   TRP  34           HA       TRP  34  10.019  18.416   0.533
  279    HB2  TRP  34           HB2      TRP  34   7.410  16.875   0.824
  280    HB3  TRP  34           HB3      TRP  34   7.419  18.518   0.230
  281    HD1  TRP  34           HD1      TRP  34   7.979  18.930  -2.198
  282    HE1  TRP  34           HE1      TRP  34   8.937  17.628  -4.167
  283    HE3  TRP  34           HE3      TRP  34   8.881  14.443   0.144
  284    HZ2  TRP  34           HZ2      TRP  34  10.111  15.020  -4.641
  285    HZ3  TRP  34           HZ3      TRP  34   9.931  12.592  -1.095
  286    HH2  TRP  34           HH2      TRP  34  10.565  12.862  -3.480
  287    H    GLY  35           H        GLY  35   9.060  20.508   1.079
  288    HA2  GLY  35           HA2      GLY  35   8.888  21.121   3.903
  289    HA3  GLY  35           HA3      GLY  35   8.443  22.178   2.543
  290    H    ASP  36           H        ASP  36   6.541  20.694   1.211
  291    HA   ASP  36           HA       ASP  36   4.644  19.306   2.822
  292    HB2  ASP  36           HB2      ASP  36   3.808  21.507   3.453
  293    HB3  ASP  36           HB3      ASP  36   3.960  22.099   1.796
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  15.909 -11.833  -3.362
    2    H2   GLY   1           H2       GLY   1  17.466 -12.216  -3.018
    3    H3   GLY   1           H3       GLY   1  16.900 -10.709  -2.704
    4    HA2  GLY   1           HA2      GLY   1  16.014 -13.186  -1.386
    5    HA3  GLY   1           HA3      GLY   1  17.078 -11.969  -0.667
    6    H    SER   2           H        SER   2  16.123 -10.386   0.532
    7    HA   SER   2           HA       SER   2  13.321  -9.570   0.063
    8    HB2  SER   2           HB2      SER   2  14.391 -10.533   2.755
    9    HB3  SER   2           HB3      SER   2  12.766  -9.914   2.424
   10    HG   SER   2           HG       SER   2  12.844 -12.204   2.502
   11    H    GLY   3           H        GLY   3  12.823  -7.579   1.351
   12    HA2  GLY   3           HA2      GLY   3  14.701  -6.063   2.791
   13    HA3  GLY   3           HA3      GLY   3  14.800  -5.580   1.086
   14    H    GLN   4           H        GLN   4  14.000  -3.577   2.497
   15    HA   GLN   4           HA       GLN   4  11.079  -3.344   2.050
   16    HB2  GLN   4           HB2      GLN   4  10.722  -2.347   4.214
   17    HB3  GLN   4           HB3      GLN   4  11.376  -3.956   4.411
   18    HG2  GLN   4           HG2      GLN   4  13.184  -3.228   5.551
   19    HG3  GLN   4           HG3      GLN   4  13.554  -1.972   4.380
   20   HE21  GLN   4          HE21      GLN   4  11.848  -0.071   4.409
   21   HE22  GLN   4          HE22      GLN   4  11.425   0.540   6.016
   22    H    VAL   5           H        VAL   5  13.488  -2.386   0.584
   23    HA   VAL   5           HA       VAL   5  13.818   0.442   1.063
   24    HB   VAL   5           HB       VAL   5  14.327  -1.100  -1.520
   25   HG11  VAL   5          HG11      VAL   5  14.452   1.369  -1.726
   26   HG12  VAL   5          HG12      VAL   5  15.610   1.428  -0.377
   27   HG13  VAL   5          HG13      VAL   5  16.045   0.634  -1.904
   28   HG21  VAL   5          HG21      VAL   5  16.663  -1.398  -0.771
   29   HG22  VAL   5          HG22      VAL   5  16.245  -0.759   0.828
   30   HG23  VAL   5          HG23      VAL   5  15.549  -2.291   0.256
   31    H    ARG   6           H        ARG   6  12.550   2.109   0.366
   32    HA   ARG   6           HA       ARG   6  10.939   1.888  -2.019
   33    HB2  ARG   6           HB2      ARG   6   8.791   2.435  -1.025
   34    HB3  ARG   6           HB3      ARG   6   9.369   0.918  -0.344
   35    HG2  ARG   6           HG2      ARG   6  10.176   2.241   1.688
   36    HG3  ARG   6           HG3      ARG   6   9.366   3.659   0.996
   37    HD2  ARG   6           HD2      ARG   6   7.232   2.287   0.917
   38    HD3  ARG   6           HD3      ARG   6   8.063   1.032   1.838
   39    HE   ARG   6           HE       ARG   6   6.961   3.528   2.778
   40   HH11  ARG   6          HH22      ARG   6   9.507   1.153   3.548
   41   HH12  ARG   6          HH21      ARG   6   9.626   1.666   5.219
   42   HH21  ARG   6          HH11      ARG   6   7.100   4.089   5.005
   43   HH22  ARG   6          HH12      ARG   6   8.253   3.302   6.044
   44    H    THR   7           H        THR   7  10.206   4.053  -2.677
   45    HA   THR   7           HA       THR   7  11.766   6.288  -1.529
   46    HB   THR   7           HB       THR   7   9.689   6.345  -3.762
   47    HG1  THR   7           HG1      THR   7  11.207   5.723  -5.174
   48   HG21  THR   7          HG21      THR   7  11.233   8.107  -4.690
   49   HG22  THR   7          HG22      THR   7  10.510   8.566  -3.152
   50   HG23  THR   7          HG23      THR   7  12.199   8.006  -3.202
   51    H    ILE   8           H        ILE   8  10.676   8.214  -0.934
   52    HA   ILE   8           HA       ILE   8   7.974   7.826   0.283
   53    HB   ILE   8           HB       ILE   8   8.597   8.951   2.257
   54   HG12  ILE   8          HG12      ILE   8  11.317   9.624   1.113
   55   HG13  ILE   8          HG13      ILE   8   9.971  10.759   1.240
   56   HG21  ILE   8          HG21      ILE   8   9.453   6.550   2.002
   57   HG22  ILE   8          HG22      ILE   8  11.064   7.254   1.697
   58   HG23  ILE   8          HG23      ILE   8  10.259   7.508   3.244
   59   HD11  ILE   8          HD11      ILE   8   9.840  10.318   3.681
   60   HD12  ILE   8          HD12      ILE   8  11.372   9.440   3.586
   61   HD13  ILE   8          HD13      ILE   8  11.313  11.165   3.183
   62    H    TRP   9           H        TRP   9   6.840   9.985   0.651
   63    HA   TRP   9           HA       TRP   9   7.910  12.276  -0.805
   64    HB2  TRP   9           HB2      TRP   9   6.175  10.632  -2.196
   65    HB3  TRP   9           HB3      TRP   9   5.066  11.806  -1.548
   66    HD1  TRP   9           HD1      TRP   9   7.067  11.160  -4.431
   67    HE1  TRP   9           HE1      TRP   9   7.573  13.216  -5.851
   68    HE3  TRP   9           HE3      TRP   9   5.852  14.815  -1.032
   69    HZ2  TRP   9           HZ2      TRP   9   7.490  16.099  -5.551
   70    HZ3  TRP   9           HZ3      TRP   9   6.126  17.194  -1.615
   71    HH2  TRP   9           HH2      TRP   9   6.930  17.856  -3.874
   72    H    VAL  10           H        VAL  10   7.936  11.989   1.836
   73    HA   VAL  10           HA       VAL  10   5.437  12.491   3.149
   74    HB   VAL  10           HB       VAL  10   7.341  11.159   4.018
   75   HG11  VAL  10          HG11      VAL  10   9.214  12.652   3.362
   76   HG12  VAL  10          HG12      VAL  10   8.698  13.809   4.596
   77   HG13  VAL  10          HG13      VAL  10   9.243  12.183   5.074
   78   HG21  VAL  10          HG21      VAL  10   6.552  13.387   5.926
   79   HG22  VAL  10          HG22      VAL  10   5.583  11.943   5.556
   80   HG23  VAL  10          HG23      VAL  10   7.157  11.769   6.343
   81    H    GLY  11           H        GLY  11   4.638  14.331   4.116
   82    HA2  GLY  11           HA2      GLY  11   6.084  16.682   4.584
   83    HA3  GLY  11           HA3      GLY  11   5.167  16.902   3.078
   84    H    GLY  12           H        GLY  12   4.664  18.426   5.405
   85    HA2  GLY  12           HA2      GLY  12   3.046  19.114   6.837
   86    HA3  GLY  12           HA3      GLY  12   1.899  18.233   5.816
   87    H    THR  13           H        THR  13   4.425  16.360   7.387
   88    HA   THR  13           HA       THR  13   2.624  15.366   9.508
   89    HB   THR  13           HB       THR  13   3.238  13.014   8.583
   90    HG1  THR  13           HG1      THR  13   3.285  14.502   6.159
   91   HG21  THR  13          HG21      THR  13   1.212  12.908   7.244
   92   HG22  THR  13          HG22      THR  13   0.935  13.916   8.673
   93   HG23  THR  13          HG23      THR  13   1.169  14.674   7.081
   94    HA   PRO  14           HA       PRO  14   7.128  15.935  10.488
   95    HB2  PRO  14           HB3      PRO  14   6.825  16.907  13.067
   96    HB3  PRO  14           HB2      PRO  14   6.845  17.911  11.586
   97    HG2  PRO  14           HG2      PRO  14   4.439  16.851  13.093
   98    HG3  PRO  14           HG3      PRO  14   4.717  18.512  12.474
   99    HD2  PRO  14           HD2      PRO  14   3.198  16.742  11.102
  100    HD3  PRO  14           HD3      PRO  14   4.315  17.836  10.235
  101    H    GLU  15           H        GLU  15   4.510  14.216  12.138
  102    HA   GLU  15           HA       GLU  15   6.106  12.628  13.893
  103    HB2  GLU  15           HB2      GLU  15   3.523  11.792  12.489
  104    HB3  GLU  15           HB3      GLU  15   4.221  11.136  13.959
  105    HG2  GLU  15           HG2      GLU  15   2.543  12.435  14.807
  106    HG3  GLU  15           HG3      GLU  15   3.926  13.509  14.970
  107    H    GLU  16           H        GLU  16   5.247  12.407  10.428
  108    HA   GLU  16           HA       GLU  16   6.394   9.732  10.178
  109    HB2  GLU  16           HB2      GLU  16   5.206  11.644   8.135
  110    HB3  GLU  16           HB3      GLU  16   5.874  10.041   7.757
  111    HG2  GLU  16           HG2      GLU  16   4.332   9.041   9.462
  112    HG3  GLU  16           HG3      GLU  16   3.609  10.628   9.706
  113    H    LEU  17           H        LEU  17   7.548  13.047   9.873
  114    HA   LEU  17           HA       LEU  17   9.943  12.399   8.385
  115    HB2  LEU  17           HB2      LEU  17   9.543  14.506  10.556
  116    HB3  LEU  17           HB3      LEU  17  10.937  14.380   9.501
  117    HG   LEU  17           HG       LEU  17   8.106  14.940   8.545
  118   HD11  LEU  17          HD11      LEU  17   8.861  17.251   8.212
  119   HD12  LEU  17          HD12      LEU  17  10.485  16.839   8.806
  120   HD13  LEU  17          HD13      LEU  17   9.101  16.805   9.909
  121   HD21  LEU  17          HD21      LEU  17  10.752  15.048   7.057
  122   HD22  LEU  17          HD22      LEU  17   9.437  13.871   6.816
  123   HD23  LEU  17          HD23      LEU  17   9.177  15.573   6.416
  124    H    LYS  18           H        LYS  18   8.894  12.083  11.793
  125    HA   LYS  18           HA       LYS  18  11.579  11.329  12.701
  126    HB2  LYS  18           HB2      LYS  18   8.860  11.057  14.062
  127    HB3  LYS  18           HB3      LYS  18  10.410  10.655  14.801
  128    HG2  LYS  18           HG2      LYS  18  11.182  12.974  14.572
  129    HG3  LYS  18           HG3      LYS  18   9.683  13.425  13.746
  130    HD2  LYS  18           HD2      LYS  18   8.378  12.809  15.771
  131    HD3  LYS  18           HD3      LYS  18   9.893  12.398  16.608
  132    HE2  LYS  18           HE2      LYS  18  10.696  14.733  16.271
  133    HE3  LYS  18           HE3      LYS  18   9.182  15.136  15.451
  134    HZ1  LYS  18           HZ1      LYS  18   9.414  14.289  18.283
  135    HZ2  LYS  18           HZ2      LYS  18   9.142  15.808  17.767
  136    HZ3  LYS  18           HZ3      LYS  18   8.011  14.661  17.528
  137    H    LYS  19           H        LYS  19   8.501   9.527  12.056
  138    HA   LYS  19           HA       LYS  19   9.594   6.969  12.597
  139    HB2  LYS  19           HB2      LYS  19   7.366   7.768  10.678
  140    HB3  LYS  19           HB3      LYS  19   7.742   6.104  11.126
  141    HG2  LYS  19           HG2      LYS  19   7.227   6.513  13.458
  142    HG3  LYS  19           HG3      LYS  19   6.999   8.242  13.170
  143    HD2  LYS  19           HD2      LYS  19   5.110   7.736  11.628
  144    HD3  LYS  19           HD3      LYS  19   5.274   6.014  11.993
  145    HE2  LYS  19           HE2      LYS  19   4.683   8.212  14.035
  146    HE3  LYS  19           HE3      LYS  19   3.457   7.200  13.267
  147    HZ1  LYS  19           HZ1      LYS  19   4.036   6.340  15.426
  148    HZ2  LYS  19           HZ2      LYS  19   4.491   5.262  14.298
  149    HZ3  LYS  19           HZ3      LYS  19   5.609   6.199  15.040
  150    H    LEU  20           H        LEU  20   9.460   8.739   9.444
  151    HA   LEU  20           HA       LEU  20  10.707   6.533   8.057
  152    HB2  LEU  20           HB2      LEU  20  10.338   9.430   7.222
  153    HB3  LEU  20           HB3      LEU  20  10.879   8.129   6.165
  154    HG   LEU  20           HG       LEU  20   8.149   8.241   7.546
  155   HD11  LEU  20          HD11      LEU  20   8.763   8.576   4.615
  156   HD12  LEU  20          HD12      LEU  20   7.200   8.749   5.433
  157   HD13  LEU  20          HD13      LEU  20   8.489   9.919   5.754
  158   HD21  LEU  20          HD21      LEU  20   7.556   6.372   6.026
  159   HD22  LEU  20          HD22      LEU  20   9.259   6.249   5.524
  160   HD23  LEU  20          HD23      LEU  20   8.781   5.912   7.204
  161    H    LYS  21           H        LYS  21  12.009   9.545   9.621
  162    HA   LYS  21           HA       LYS  21  14.704   9.032   8.773
  163    HB2  LYS  21           HB2      LYS  21  14.052  11.143   9.824
  164    HB3  LYS  21           HB3      LYS  21  13.645  10.316  11.328
  165    HG2  LYS  21           HG2      LYS  21  15.761  11.523  11.460
  166    HG3  LYS  21           HG3      LYS  21  15.982   9.801  11.752
  167    HD2  LYS  21           HD2      LYS  21  16.936   9.455   9.565
  168    HD3  LYS  21           HD3      LYS  21  16.501  11.084   9.028
  169    HE2  LYS  21           HE2      LYS  21  18.471  10.434  11.275
  170    HE3  LYS  21           HE3      LYS  21  18.934  10.735   9.600
  171    HZ1  LYS  21           HZ1      LYS  21  17.598  12.711  11.358
  172    HZ2  LYS  21           HZ2      LYS  21  19.166  12.722  10.922
  173    HZ3  LYS  21           HZ3      LYS  21  18.019  12.970   9.797
  174    H    GLU  22           H        GLU  22  12.801   7.708  11.545
  175    HA   GLU  22           HA       GLU  22  14.942   6.215  12.622
  176    HB2  GLU  22           HB2      GLU  22  12.558   6.692  13.596
  177    HB3  GLU  22           HB3      GLU  22  12.065   5.267  12.683
  178    HG2  GLU  22           HG2      GLU  22  12.535   4.398  14.776
  179    HG3  GLU  22           HG3      GLU  22  14.018   4.045  13.902
  180    H    GLU  23           H        GLU  23  12.569   5.328  10.034
  181    HA   GLU  23           HA       GLU  23  13.613   2.707   9.608
  182    HB2  GLU  23           HB2      GLU  23  12.161   4.623   7.730
  183    HB3  GLU  23           HB3      GLU  23  12.691   3.003   7.273
  184    HG2  GLU  23           HG2      GLU  23  11.397   2.072   9.242
  185    HG3  GLU  23           HG3      GLU  23  10.684   3.676   9.447
  186    H    ALA  24           H        ALA  24  14.618   5.871   8.191
  187    HA   ALA  24           HA       ALA  24  16.551   4.780   6.406
  188    HB1  ALA  24           HB1      ALA  24  16.650   7.457   7.866
  189    HB2  ALA  24           HB2      ALA  24  17.530   7.012   6.392
  190    HB3  ALA  24           HB3      ALA  24  15.761   7.134   6.362
  191    H    LYS  25           H        LYS  25  16.824   5.758   9.855
  192    HA   LYS  25           HA       LYS  25  19.605   5.031  10.100
  193    HB2  LYS  25           HB2      LYS  25  17.354   5.255  12.140
  194    HB3  LYS  25           HB3      LYS  25  19.045   4.989  12.566
  195    HG2  LYS  25           HG2      LYS  25  19.721   7.139  11.820
  196    HG3  LYS  25           HG3      LYS  25  18.263   7.382  10.860
  197    HD2  LYS  25           HD2      LYS  25  18.123   8.763  12.835
  198    HD3  LYS  25           HD3      LYS  25  16.887   7.506  12.885
  199    HE2  LYS  25           HE2      LYS  25  18.564   6.147  14.332
  200    HE3  LYS  25           HE3      LYS  25  19.489   7.648  14.470
  201    HZ1  LYS  25           HZ1      LYS  25  16.690   7.186  15.334
  202    HZ2  LYS  25           HZ2      LYS  25  17.982   7.385  16.319
  203    HZ3  LYS  25           HZ3      LYS  25  17.451   8.651  15.435
  204    H    LYS  26           H        LYS  26  16.546   3.179  10.462
  205    HA   LYS  26           HA       LYS  26  17.878   0.984  11.799
  206    HB2  LYS  26           HB2      LYS  26  15.531   1.669  12.201
  207    HB3  LYS  26           HB3      LYS  26  15.096   1.160  10.561
  208    HG2  LYS  26           HG2      LYS  26  15.685  -1.174  11.123
  209    HG3  LYS  26           HG3      LYS  26  16.208  -0.661  12.743
  210    HD2  LYS  26           HD2      LYS  26  13.897   0.158  13.202
  211    HD3  LYS  26           HD3      LYS  26  13.372  -0.421  11.619
  212    HE2  LYS  26           HE2      LYS  26  14.543  -2.162  13.843
  213    HE3  LYS  26           HE3      LYS  26  12.819  -1.947  13.540
  214    HZ1  LYS  26           HZ1      LYS  26  13.611  -3.965  12.528
  215    HZ2  LYS  26           HZ2      LYS  26  13.137  -2.948  11.351
  216    HZ3  LYS  26           HZ3      LYS  26  14.732  -3.184  11.646
  217    H    ALA  27           H        ALA  27  16.701   1.497   8.456
  218    HA   ALA  27           HA       ALA  27  17.926  -1.112   7.661
  219    HB1  ALA  27           HB1      ALA  27  15.949  -1.414   6.215
  220    HB2  ALA  27           HB2      ALA  27  15.475  -1.236   7.911
  221    HB3  ALA  27           HB3      ALA  27  15.278   0.130   6.793
  222    H    ASN  28           H        ASN  28  18.590   2.038   7.300
  223    HA   ASN  28           HA       ASN  28  19.776   3.250   5.853
  224    HB2  ASN  28           HB2      ASN  28  21.043   1.017   5.690
  225    HB3  ASN  28           HB3      ASN  28  20.189   0.796   4.150
  226   HD21  ASN  28          HD21      ASN  28  22.061   3.447   5.834
  227   HD22  ASN  28          HD22      ASN  28  22.973   3.885   4.416
  228    H    ILE  29           H        ILE  29  16.788   2.297   5.106
  229    HA   ILE  29           HA       ILE  29  16.728   2.356   2.311
  230    HB   ILE  29           HB       ILE  29  14.296   2.565   2.529
  231   HG12  ILE  29          HG12      ILE  29  13.170   2.303   4.683
  232   HG13  ILE  29          HG13      ILE  29  14.683   2.482   5.563
  233   HG21  ILE  29          HG21      ILE  29  15.552   0.530   4.414
  234   HG22  ILE  29          HG22      ILE  29  14.030   0.362   3.533
  235   HG23  ILE  29          HG23      ILE  29  15.564   0.412   2.653
  236   HD11  ILE  29          HD11      ILE  29  14.800   4.811   5.048
  237   HD12  ILE  29          HD12      ILE  29  13.487   4.680   3.838
  238   HD13  ILE  29          HD13      ILE  29  13.156   4.492   5.567
  239    H    ARG  30           H        ARG  30  15.683   3.792   0.846
  240    HA   ARG  30           HA       ARG  30  16.868   6.383   0.846
  241    HB2  ARG  30           HB2      ARG  30  16.424   5.114  -1.171
  242    HB3  ARG  30           HB3      ARG  30  14.690   5.049  -0.826
  243    HG2  ARG  30           HG2      ARG  30  14.416   7.398  -1.293
  244    HG3  ARG  30           HG3      ARG  30  16.167   7.658  -1.339
  245    HD2  ARG  30           HD2      ARG  30  15.174   7.614  -3.598
  246    HD3  ARG  30           HD3      ARG  30  16.385   6.362  -3.379
  247    HE   ARG  30           HE       ARG  30  13.441   6.024  -3.657
  248   HH11  ARG  30          HH22      ARG  30  16.610   4.404  -3.438
  249   HH12  ARG  30          HH21      ARG  30  15.983   2.867  -3.900
  250   HH21  ARG  30          HH11      ARG  30  12.650   4.076  -4.243
  251   HH22  ARG  30          HH12      ARG  30  13.653   2.659  -4.395
  252    H    VAL  31           H        VAL  31  16.099   8.340   1.520
  253    HA   VAL  31           HA       VAL  31  13.228   8.702   1.992
  254    HB   VAL  31           HB       VAL  31  13.695   9.937   4.115
  255   HG11  VAL  31          HG11      VAL  31  12.747   7.600   4.083
  256   HG12  VAL  31          HG12      VAL  31  14.389   6.988   4.325
  257   HG13  VAL  31          HG13      VAL  31  13.628   7.999   5.560
  258   HG21  VAL  31          HG21      VAL  31  16.379   8.483   4.125
  259   HG22  VAL  31          HG22      VAL  31  16.151  10.237   3.935
  260   HG23  VAL  31          HG23      VAL  31  15.686   9.447   5.443
  261    H    THR  32           H        THR  32  12.574  10.785   1.568
  262    HA   THR  32           HA       THR  32  14.565  12.834   0.806
  263    HB   THR  32           HB       THR  32  12.223  12.075  -0.992
  264    HG1  THR  32           HG1      THR  32  13.713  10.430  -1.131
  265   HG21  THR  32          HG21      THR  32  13.423  13.503  -2.639
  266   HG22  THR  32          HG22      THR  32  12.963  14.420  -1.200
  267   HG23  THR  32          HG23      THR  32  14.647  13.892  -1.411
  268    H    PHE  33           H        PHE  33  14.029  14.441   2.181
  269    HA   PHE  33           HA       PHE  33  11.279  14.517   3.273
  270    HB2  PHE  33           HB2      PHE  33  13.904  15.692   4.273
  271    HB3  PHE  33           HB3      PHE  33  12.354  15.817   5.092
  272    HD1  PHE  33           HD1      PHE  33  11.125  13.340   5.253
  273    HD2  PHE  33           HD2      PHE  33  15.363  14.094   5.242
  274    HE1  PHE  33           HE1      PHE  33  11.467  11.330   6.634
  275    HE2  PHE  33           HE2      PHE  33  15.726  12.009   6.535
  276    HZ   PHE  33           HZ       PHE  33  13.787  10.625   7.249
  277    H    TRP  34           H        TRP  34  10.295  15.531   1.503
  278    HA   TRP  34           HA       TRP  34  10.980  18.238   0.705
  279    HB2  TRP  34           HB2      TRP  34   8.473  16.543   0.485
  280    HB3  TRP  34           HB3      TRP  34   8.466  18.247   0.063
  281    HD1  TRP  34           HD1      TRP  34   9.874  19.055  -1.999
  282    HE1  TRP  34           HE1      TRP  34  10.703  17.885  -4.115
  283    HE3  TRP  34           HE3      TRP  34   9.429  14.199  -0.435
  284    HZ2  TRP  34           HZ2      TRP  34  11.106  15.158  -5.031
  285    HZ3  TRP  34           HZ3      TRP  34  10.054  12.347  -1.953
  286    HH2  TRP  34           HH2      TRP  34  10.875  12.802  -4.245
  287    H    GLY  35           H        GLY  35   8.647  16.849   3.024
  288    HA2  GLY  35           HA2      GLY  35   8.065  17.674   5.138
  289    HA3  GLY  35           HA3      GLY  35   8.982  19.150   4.826
  290    H    ASP  36           H        ASP  36   7.371  19.110   2.106
  291    HA   ASP  36           HA       ASP  36   5.935  20.564   1.240
  292    HB2  ASP  36           HB2      ASP  36   4.532  18.617   1.309
  293    HB3  ASP  36           HB3      ASP  36   3.992  19.001   2.946
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  22.821  -3.918  -4.757
    2    H2   GLY   1           H2       GLY   1  23.016  -2.390  -4.201
    3    H3   GLY   1           H3       GLY   1  22.163  -2.659  -5.576
    4    HA2  GLY   1           HA2      GLY   1  20.663  -2.179  -3.769
    5    HA3  GLY   1           HA3      GLY   1  20.454  -3.826  -4.381
    6    H    SER   2           H        SER   2  20.966  -1.950  -1.581
    7    HA   SER   2           HA       SER   2  22.623  -3.525   0.005
    8    HB2  SER   2           HB2      SER   2  20.249  -1.883   0.961
    9    HB3  SER   2           HB3      SER   2  21.765  -2.204   1.822
   10    HG   SER   2           HG       SER   2  21.678  -0.126   0.867
   11    H    GLY   3           H        GLY   3  19.188  -3.998  -0.739
   12    HA2  GLY   3           HA2      GLY   3  18.840  -6.596  -0.326
   13    HA3  GLY   3           HA3      GLY   3  18.812  -6.039   1.359
   14    H    GLN   4           H        GLN   4  17.588  -3.419   0.650
   15    HA   GLN   4           HA       GLN   4  14.979  -3.984  -0.539
   16    HB2  GLN   4           HB2      GLN   4  14.732  -4.647   1.855
   17    HB3  GLN   4           HB3      GLN   4  15.344  -3.076   2.370
   18    HG2  GLN   4           HG2      GLN   4  13.368  -1.945   1.472
   19    HG3  GLN   4           HG3      GLN   4  12.796  -3.452   0.731
   20   HE21  GLN   4          HE21      GLN   4  12.382  -5.321   2.391
   21   HE22  GLN   4          HE22      GLN   4  11.687  -4.836   3.916
   22    H    VAL   5           H        VAL   5  13.946  -1.939  -1.096
   23    HA   VAL   5           HA       VAL   5  15.073   0.567  -0.239
   24    HB   VAL   5           HB       VAL   5  16.520  -0.144  -2.224
   25   HG11  VAL   5          HG11      VAL   5  14.736  -1.043  -3.686
   26   HG12  VAL   5          HG12      VAL   5  14.066   0.597  -3.860
   27   HG13  VAL   5          HG13      VAL   5  15.694   0.228  -4.463
   28   HG21  VAL   5          HG21      VAL   5  16.661   2.116  -3.056
   29   HG22  VAL   5          HG22      VAL   5  15.058   2.509  -2.414
   30   HG23  VAL   5          HG23      VAL   5  16.406   2.124  -1.305
   31    H    ARG   6           H        ARG   6  13.641   2.270  -0.694
   32    HA   ARG   6           HA       ARG   6  10.889   1.571  -1.533
   33    HB2  ARG   6           HB2      ARG   6  11.533   2.922   1.130
   34    HB3  ARG   6           HB3      ARG   6   9.930   2.542   0.499
   35    HG2  ARG   6           HG2      ARG   6  10.461   0.092   0.704
   36    HG3  ARG   6           HG3      ARG   6  12.018   0.542   1.428
   37    HD2  ARG   6           HD2      ARG   6  10.598   1.965   3.083
   38    HD3  ARG   6           HD3      ARG   6   9.226   0.987   2.529
   39    HE   ARG   6           HE       ARG   6  11.232  -0.845   3.220
   40   HH11  ARG   6          HH11      ARG   6   9.326   1.627   4.987
   41   HH12  ARG   6          HH12      ARG   6   9.814   0.960   6.536
   42   HH21  ARG   6          HH22      ARG   6  11.748  -1.620   5.277
   43   HH22  ARG   6          HH21      ARG   6  11.142  -0.772   6.715
   44    H    THR   7           H        THR   7   9.580   3.774  -1.335
   45    HA   THR   7           HA       THR   7  11.218   6.169  -1.495
   46    HB   THR   7           HB       THR   7   9.113   5.743  -3.653
   47    HG1  THR   7           HG1      THR   7  10.515   4.884  -5.013
   48   HG21  THR   7          HG21      THR   7   9.905   8.036  -3.324
   49   HG22  THR   7          HG22      THR   7  11.599   7.506  -3.491
   50   HG23  THR   7          HG23      THR   7  10.485   7.421  -4.873
   51    H    ILE   8           H        ILE   8   9.966   7.981  -0.980
   52    HA   ILE   8           HA       ILE   8   7.266   7.488   0.164
   53    HB   ILE   8           HB       ILE   8   7.881   8.432   2.290
   54   HG12  ILE   8          HG12      ILE   8  10.698   8.867   1.265
   55   HG13  ILE   8          HG13      ILE   8   9.472  10.132   1.405
   56   HG21  ILE   8          HG21      ILE   8   8.563   5.973   1.837
   57   HG22  ILE   8          HG22      ILE   8  10.236   6.603   1.707
   58   HG23  ILE   8          HG23      ILE   8   9.324   6.771   3.212
   59   HD11  ILE   8          HD11      ILE   8   9.208   9.646   3.793
   60   HD12  ILE   8          HD12      ILE   8  10.595   8.539   3.728
   61   HD13  ILE   8          HD13      ILE   8  10.822  10.259   3.373
   62    H    TRP   9           H        TRP   9   6.303   9.720   0.849
   63    HA   TRP   9           HA       TRP   9   7.418  12.002  -0.606
   64    HB2  TRP   9           HB2      TRP   9   5.542  10.427  -1.898
   65    HB3  TRP   9           HB3      TRP   9   4.538  11.680  -1.219
   66    HD1  TRP   9           HD1      TRP   9   6.799  10.881  -4.007
   67    HE1  TRP   9           HE1      TRP   9   7.206  12.883  -5.540
   68    HE3  TRP   9           HE3      TRP   9   5.078  14.610  -0.937
   69    HZ2  TRP   9           HZ2      TRP   9   6.855  15.765  -5.438
   70    HZ3  TRP   9           HZ3      TRP   9   5.262  16.969  -1.617
   71    HH2  TRP   9           HH2      TRP   9   6.104  17.566  -3.886
   72    H    VAL  10           H        VAL  10   7.530  11.650   2.063
   73    HA   VAL  10           HA       VAL  10   5.183  12.737   3.403
   74    HB   VAL  10           HB       VAL  10   6.716  11.043   4.386
   75   HG11  VAL  10          HG11      VAL  10   8.686  13.326   4.714
   76   HG12  VAL  10          HG12      VAL  10   8.856  11.679   5.351
   77   HG13  VAL  10          HG13      VAL  10   8.871  11.969   3.598
   78   HG21  VAL  10          HG21      VAL  10   5.245  12.368   5.847
   79   HG22  VAL  10          HG22      VAL  10   6.771  11.935   6.645
   80   HG23  VAL  10          HG23      VAL  10   6.524  13.586   6.046
   81    H    GLY  11           H        GLY  11   4.973  14.764   4.304
   82    HA2  GLY  11           HA2      GLY  11   7.001  16.695   4.568
   83    HA3  GLY  11           HA3      GLY  11   5.997  17.103   3.158
   84    H    GLY  12           H        GLY  12   5.931  18.810   5.316
   85    HA2  GLY  12           HA2      GLY  12   4.615  19.874   6.805
   86    HA3  GLY  12           HA3      GLY  12   3.282  19.216   5.848
   87    H    THR  13           H        THR  13   5.353  16.979   7.688
   88    HA   THR  13           HA       THR  13   3.312  16.626   9.780
   89    HB   THR  13           HB       THR  13   4.122  14.328   7.953
   90    HG1  THR  13           HG1      THR  13   2.982  15.711   6.670
   91   HG21  THR  13          HG21      THR  13   2.144  13.239   8.934
   92   HG22  THR  13          HG22      THR  13   3.230  13.766  10.228
   93   HG23  THR  13          HG23      THR  13   1.768  14.703   9.871
   94    HA   PRO  14           HA       PRO  14   7.836  16.522  10.960
   95    HB2  PRO  14           HB3      PRO  14   6.482  17.287  13.548
   96    HB3  PRO  14           HB2      PRO  14   8.048  17.848  12.884
   97    HG2  PRO  14           HG2      PRO  14   5.847  19.409  12.664
   98    HG3  PRO  14           HG3      PRO  14   6.948  19.217  11.259
   99    HD2  PRO  14           HD2      PRO  14   4.311  17.832  11.784
  100    HD3  PRO  14           HD3      PRO  14   4.938  18.548  10.271
  101    H    GLU  15           H        GLU  15   4.990  15.092  12.582
  102    HA   GLU  15           HA       GLU  15   6.500  13.357  14.269
  103    HB2  GLU  15           HB2      GLU  15   4.033  14.101  14.496
  104    HB3  GLU  15           HB3      GLU  15   3.664  12.860  13.299
  105    HG2  GLU  15           HG2      GLU  15   3.278  11.820  15.368
  106    HG3  GLU  15           HG3      GLU  15   4.849  11.194  14.892
  107    H    GLU  16           H        GLU  16   5.103  12.933  10.940
  108    HA   GLU  16           HA       GLU  16   5.771  10.150  10.804
  109    HB2  GLU  16           HB2      GLU  16   3.840  11.300   9.683
  110    HB3  GLU  16           HB3      GLU  16   4.993  12.291   8.778
  111    HG2  GLU  16           HG2      GLU  16   4.415  10.668   7.303
  112    HG3  GLU  16           HG3      GLU  16   5.975  10.131   7.927
  113    H    LEU  17           H        LEU  17   7.257  13.287   9.859
  114    HA   LEU  17           HA       LEU  17   9.459  12.283   8.354
  115    HB2  LEU  17           HB2      LEU  17   8.962  14.761  10.035
  116    HB3  LEU  17           HB3      LEU  17  10.551  14.466   9.357
  117    HG   LEU  17           HG       LEU  17   8.110  14.407   7.561
  118   HD11  LEU  17          HD11      LEU  17   8.526  16.801   7.028
  119   HD12  LEU  17          HD12      LEU  17   7.986  16.575   8.695
  120   HD13  LEU  17          HD13      LEU  17   9.702  16.885   8.359
  121   HD21  LEU  17          HD21      LEU  17  10.247  13.567   6.669
  122   HD22  LEU  17          HD22      LEU  17   9.763  15.064   5.851
  123   HD23  LEU  17          HD23      LEU  17  11.042  15.096   7.081
  124    H    LYS  18           H        LYS  18   8.887  12.610  11.875
  125    HA   LYS  18           HA       LYS  18  11.592  11.808  12.604
  126    HB2  LYS  18           HB2      LYS  18   8.964  11.840  14.134
  127    HB3  LYS  18           HB3      LYS  18  10.470  11.261  14.839
  128    HG2  LYS  18           HG2      LYS  18  11.493  13.385  14.790
  129    HG3  LYS  18           HG3      LYS  18  10.362  14.023  13.597
  130    HD2  LYS  18           HD2      LYS  18   9.870  14.976  15.788
  131    HD3  LYS  18           HD3      LYS  18   8.532  13.974  15.221
  132    HE2  LYS  18           HE2      LYS  18   9.534  12.070  16.643
  133    HE3  LYS  18           HE3      LYS  18  10.604  13.289  17.350
  134    HZ1  LYS  18           HZ1      LYS  18   8.566  14.480  18.048
  135    HZ2  LYS  18           HZ2      LYS  18   7.636  13.269  17.419
  136    HZ3  LYS  18           HZ3      LYS  18   8.632  12.979  18.686
  137    H    LYS  19           H        LYS  19   8.445  10.006  12.388
  138    HA   LYS  19           HA       LYS  19   9.590   7.494  13.099
  139    HB2  LYS  19           HB2      LYS  19   7.174   8.152  11.355
  140    HB3  LYS  19           HB3      LYS  19   7.579   6.524  11.881
  141    HG2  LYS  19           HG2      LYS  19   6.939   8.830  13.771
  142    HG3  LYS  19           HG3      LYS  19   5.799   7.598  13.230
  143    HD2  LYS  19           HD2      LYS  19   7.251   5.834  14.288
  144    HD3  LYS  19           HD3      LYS  19   8.330   7.110  14.863
  145    HE2  LYS  19           HE2      LYS  19   6.926   6.536  16.691
  146    HE3  LYS  19           HE3      LYS  19   6.439   8.136  16.128
  147    HZ1  LYS  19           HZ1      LYS  19   4.538   6.711  16.581
  148    HZ2  LYS  19           HZ2      LYS  19   4.557   7.079  14.995
  149    HZ3  LYS  19           HZ3      LYS  19   5.033   5.597  15.504
  150    H    LEU  20           H        LEU  20   9.193   8.976   9.837
  151    HA   LEU  20           HA       LEU  20  10.361   6.658   8.561
  152    HB2  LEU  20           HB2      LEU  20   9.846   9.452   7.477
  153    HB3  LEU  20           HB3      LEU  20  10.367   8.061   6.521
  154    HG   LEU  20           HG       LEU  20   7.717   8.351   8.007
  155   HD11  LEU  20          HD11      LEU  20   8.246   8.034   5.047
  156   HD12  LEU  20          HD12      LEU  20   6.686   8.318   5.844
  157   HD13  LEU  20          HD13      LEU  20   7.920   9.580   5.878
  158   HD21  LEU  20          HD21      LEU  20   8.318   5.993   8.169
  159   HD22  LEU  20          HD22      LEU  20   7.089   6.175   6.926
  160   HD23  LEU  20          HD23      LEU  20   8.787   5.953   6.451
  161    H    LYS  21           H        LYS  21  11.746   9.770   9.772
  162    HA   LYS  21           HA       LYS  21  14.372   9.210   8.757
  163    HB2  LYS  21           HB2      LYS  21  13.793  11.382   9.714
  164    HB3  LYS  21           HB3      LYS  21  13.487  10.654  11.290
  165    HG2  LYS  21           HG2      LYS  21  15.596  11.857  11.237
  166    HG3  LYS  21           HG3      LYS  21  15.854  10.149  11.585
  167    HD2  LYS  21           HD2      LYS  21  16.653   9.728   9.333
  168    HD3  LYS  21           HD3      LYS  21  16.206  11.352   8.796
  169    HE2  LYS  21           HE2      LYS  21  18.278  10.733  10.953
  170    HE3  LYS  21           HE3      LYS  21  18.666  10.976   9.249
  171    HZ1  LYS  21           HZ1      LYS  21  17.792  13.229   9.421
  172    HZ2  LYS  21           HZ2      LYS  21  17.438  13.022  11.008
  173    HZ3  LYS  21           HZ3      LYS  21  18.984  12.998  10.501
  174    H    GLU  22           H        GLU  22  12.733   8.094  11.782
  175    HA   GLU  22           HA       GLU  22  14.966   6.611  12.734
  176    HB2  GLU  22           HB2      GLU  22  12.862   7.247  14.020
  177    HB3  GLU  22           HB3      GLU  22  12.017   5.969  13.151
  178    HG2  GLU  22           HG2      GLU  22  12.628   5.067  15.252
  179    HG3  GLU  22           HG3      GLU  22  13.691   4.312  14.077
  180    H    GLU  23           H        GLU  23  12.244   5.637  10.566
  181    HA   GLU  23           HA       GLU  23  13.056   2.962  10.172
  182    HB2  GLU  23           HB2      GLU  23  10.862   4.127   9.483
  183    HB3  GLU  23           HB3      GLU  23  11.749   4.795   8.119
  184    HG2  GLU  23           HG2      GLU  23  10.611   2.928   7.288
  185    HG3  GLU  23           HG3      GLU  23  12.295   2.431   7.394
  186    H    ALA  24           H        ALA  24  14.126   5.929   8.469
  187    HA   ALA  24           HA       ALA  24  15.863   4.623   6.621
  188    HB1  ALA  24           HB1      ALA  24  16.717   6.847   6.201
  189    HB2  ALA  24           HB2      ALA  24  14.966   6.967   6.462
  190    HB3  ALA  24           HB3      ALA  24  16.089   7.446   7.748
  191    H    LYS  25           H        LYS  25  16.169   4.705   9.956
  192    HA   LYS  25           HA       LYS  25  19.122   4.246   9.804
  193    HB2  LYS  25           HB2      LYS  25  17.409   5.316  12.087
  194    HB3  LYS  25           HB3      LYS  25  19.106   4.850  12.240
  195    HG2  LYS  25           HG2      LYS  25  19.816   6.594  10.708
  196    HG3  LYS  25           HG3      LYS  25  18.157   6.969  10.257
  197    HD2  LYS  25           HD2      LYS  25  18.984   8.673  11.767
  198    HD3  LYS  25           HD3      LYS  25  17.641   7.792  12.477
  199    HE2  LYS  25           HE2      LYS  25  19.281   8.172  14.195
  200    HE3  LYS  25           HE3      LYS  25  19.232   6.446  13.848
  201    HZ1  LYS  25           HZ1      LYS  25  21.286   8.340  12.842
  202    HZ2  LYS  25           HZ2      LYS  25  21.495   7.272  14.050
  203    HZ3  LYS  25           HZ3      LYS  25  21.267   6.732  12.533
  204    H    LYS  26           H        LYS  26  15.937   3.019  10.754
  205    HA   LYS  26           HA       LYS  26  16.891   0.691  12.172
  206    HB2  LYS  26           HB2      LYS  26  14.515   1.728  12.157
  207    HB3  LYS  26           HB3      LYS  26  14.304   0.952  10.582
  208    HG2  LYS  26           HG2      LYS  26  14.966  -1.267  11.796
  209    HG3  LYS  26           HG3      LYS  26  14.809  -0.342  13.293
  210    HD2  LYS  26           HD2      LYS  26  12.702  -1.356  13.063
  211    HD3  LYS  26           HD3      LYS  26  12.431   0.279  12.438
  212    HE2  LYS  26           HE2      LYS  26  12.987  -0.752  10.101
  213    HE3  LYS  26           HE3      LYS  26  12.816  -2.326  10.892
  214    HZ1  LYS  26           HZ1      LYS  26  10.780  -0.208  10.604
  215    HZ2  LYS  26           HZ2      LYS  26  10.751  -1.667   9.892
  216    HZ3  LYS  26           HZ3      LYS  26  10.525  -1.575  11.515
  217    H    ALA  27           H        ALA  27  16.037   1.463   8.785
  218    HA   ALA  27           HA       ALA  27  17.654  -0.860   7.857
  219    HB1  ALA  27           HB1      ALA  27  15.290  -1.490   7.644
  220    HB2  ALA  27           HB2      ALA  27  14.927   0.035   6.811
  221    HB3  ALA  27           HB3      ALA  27  15.972  -1.181   6.038
  222    H    ASN  28           H        ASN  28  18.432  -0.529   5.642
  223    HA   ASN  28           HA       ASN  28  19.686   2.046   5.452
  224    HB2  ASN  28           HB2      ASN  28  20.747  -0.159   4.905
  225    HB3  ASN  28           HB3      ASN  28  19.680  -0.301   3.502
  226   HD21  ASN  28          HD21      ASN  28  22.061   2.061   4.945
  227   HD22  ASN  28          HD22      ASN  28  22.749   2.506   3.408
  228    H    ILE  29           H        ILE  29  16.637   1.125   4.349
  229    HA   ILE  29           HA       ILE  29  16.511   1.804   1.740
  230    HB   ILE  29           HB       ILE  29  14.058   2.111   2.074
  231   HG12  ILE  29          HG12      ILE  29  13.028   1.418   4.165
  232   HG13  ILE  29          HG13      ILE  29  14.563   1.439   5.014
  233   HG21  ILE  29          HG21      ILE  29  13.742  -0.234   2.772
  234   HG22  ILE  29          HG22      ILE  29  15.207  -0.109   1.787
  235   HG23  ILE  29          HG23      ILE  29  15.327  -0.283   3.535
  236   HD11  ILE  29          HD11      ILE  29  14.664   3.833   4.972
  237   HD12  ILE  29          HD12      ILE  29  13.299   3.934   3.818
  238   HD13  ILE  29          HD13      ILE  29  13.050   3.390   5.490
  239    H    ARG  30           H        ARG  30  15.902   3.424   0.451
  240    HA   ARG  30           HA       ARG  30  16.767   6.079   0.970
  241    HB2  ARG  30           HB2      ARG  30  16.726   5.263  -1.270
  242    HB3  ARG  30           HB3      ARG  30  15.069   4.692  -1.122
  243    HG2  ARG  30           HG2      ARG  30  14.217   7.010  -1.145
  244    HG3  ARG  30           HG3      ARG  30  15.878   7.626  -1.209
  245    HD2  ARG  30           HD2      ARG  30  14.834   7.643  -3.426
  246    HD3  ARG  30           HD3      ARG  30  16.216   6.534  -3.379
  247    HE   ARG  30           HE       ARG  30  13.538   5.374  -2.883
  248   HH11  ARG  30          HH22      ARG  30  16.239   5.713  -5.175
  249   HH12  ARG  30          HH21      ARG  30  15.644   4.501  -6.246
  250   HH21  ARG  30          HH11      ARG  30  12.627   4.048  -4.423
  251   HH22  ARG  30          HH12      ARG  30  13.561   3.440  -5.756
  252    H    VAL  31           H        VAL  31  15.654   7.913   1.481
  253    HA   VAL  31           HA       VAL  31  12.748   7.921   1.763
  254    HB   VAL  31           HB       VAL  31  12.920   9.194   3.901
  255   HG11  VAL  31          HG11      VAL  31  13.959   6.359   4.220
  256   HG12  VAL  31          HG12      VAL  31  12.956   7.292   5.353
  257   HG13  VAL  31          HG13      VAL  31  12.280   6.763   3.808
  258   HG21  VAL  31          HG21      VAL  31  15.757   8.114   4.133
  259   HG22  VAL  31          HG22      VAL  31  15.321   9.813   3.844
  260   HG23  VAL  31          HG23      VAL  31  14.849   9.037   5.353
  261    H    THR  32           H        THR  32  11.937  10.026   1.511
  262    HA   THR  32           HA       THR  32  13.851  12.125   0.618
  263    HB   THR  32           HB       THR  32  11.373  11.465  -0.989
  264    HG1  THR  32           HG1      THR  32  12.581  10.161  -2.328
  265   HG21  THR  32          HG21      THR  32  12.681  12.536  -2.810
  266   HG22  THR  32          HG22      THR  32  12.527  13.614  -1.416
  267   HG23  THR  32          HG23      THR  32  14.055  12.750  -1.702
  268    H    PHE  33           H        PHE  33  13.250  14.108   1.415
  269    HA   PHE  33           HA       PHE  33  10.623  14.236   2.850
  270    HB2  PHE  33           HB2      PHE  33  13.328  15.401   3.610
  271    HB3  PHE  33           HB3      PHE  33  11.836  15.598   4.507
  272    HD1  PHE  33           HD1      PHE  33  11.002  12.521   4.176
  273    HD2  PHE  33           HD2      PHE  33  14.549  14.564   5.518
  274    HE1  PHE  33           HE1      PHE  33  11.480  10.661   5.726
  275    HE2  PHE  33           HE2      PHE  33  15.059  12.662   7.023
  276    HZ   PHE  33           HZ       PHE  33  13.511  10.717   7.149
  277    H    TRP  34           H        TRP  34   9.297  15.728   2.021
  278    HA   TRP  34           HA       TRP  34  10.425  18.159   0.714
  279    HB2  TRP  34           HB2      TRP  34   7.681  16.847   0.745
  280    HB3  TRP  34           HB3      TRP  34   7.902  18.514   0.260
  281    HD1  TRP  34           HD1      TRP  34   8.899  19.032  -2.060
  282    HE1  TRP  34           HE1      TRP  34   9.660  17.685  -4.082
  283    HE3  TRP  34           HE3      TRP  34   8.729  14.327  -0.005
  284    HZ2  TRP  34           HZ2      TRP  34  10.223  14.912  -4.721
  285    HZ3  TRP  34           HZ3      TRP  34   9.421  12.371  -1.347
  286    HH2  TRP  34           HH2      TRP  34  10.156  12.641  -3.698
  287    H    GLY  35           H        GLY  35   9.622  20.247   1.448
  288    HA2  GLY  35           HA2      GLY  35   9.359  20.597   4.297
  289    HA3  GLY  35           HA3      GLY  35   9.014  21.801   3.033
  290    H    ASP  36           H        ASP  36   7.059  20.682   1.524
  291    HA   ASP  36           HA       ASP  36   5.052  19.180   2.876
  292    HB2  ASP  36           HB2      ASP  36   4.343  21.298   3.852
  293    HB3  ASP  36           HB3      ASP  36   4.539  22.133   2.308
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  19.535 -11.088   0.553
    2    H2   GLY   1           H2       GLY   1  18.715 -10.211   1.672
    3    H3   GLY   1           H3       GLY   1  18.921  -9.619   0.158
    4    HA2  GLY   1           HA2      GLY   1  17.573 -11.362  -0.783
    5    HA3  GLY   1           HA3      GLY   1  17.340 -12.000   0.851
    6    H    SER   2           H        SER   2  15.513 -11.339   1.901
    7    HA   SER   2           HA       SER   2  13.634  -9.559   0.809
    8    HB2  SER   2           HB2      SER   2  13.935 -10.376   3.726
    9    HB3  SER   2           HB3      SER   2  12.446  -9.907   2.887
   10    HG   SER   2           HG       SER   2  12.657 -12.184   3.090
   11    H    GLY   3           H        GLY   3  12.854  -7.495   1.611
   12    HA2  GLY   3           HA2      GLY   3  14.095  -5.886   3.562
   13    HA3  GLY   3           HA3      GLY   3  14.811  -5.502   1.985
   14    H    GLN   4           H        GLN   4  13.585  -3.435   2.917
   15    HA   GLN   4           HA       GLN   4  11.064  -3.199   1.397
   16    HB2  GLN   4           HB2      GLN   4   9.921  -2.099   3.272
   17    HB3  GLN   4           HB3      GLN   4  10.318  -3.779   3.591
   18    HG2  GLN   4           HG2      GLN   4  12.304  -2.992   4.969
   19    HG3  GLN   4           HG3      GLN   4  11.744  -1.337   4.723
   20   HE21  GLN   4          HE21      GLN   4  10.743  -0.623   6.621
   21   HE22  GLN   4          HE22      GLN   4   9.653  -1.607   7.581
   22    H    VAL   5           H        VAL   5  13.748  -2.363   0.797
   23    HA   VAL   5           HA       VAL   5  14.051   0.474   1.186
   24    HB   VAL   5           HB       VAL   5  15.089  -1.284  -1.058
   25   HG11  VAL   5          HG11      VAL   5  16.037   1.464  -0.138
   26   HG12  VAL   5          HG12      VAL   5  16.801   0.455  -1.376
   27   HG13  VAL   5          HG13      VAL   5  15.186   1.106  -1.653
   28   HG21  VAL   5          HG21      VAL   5  15.922  -2.097   1.131
   29   HG22  VAL   5          HG22      VAL   5  17.218  -1.329   0.216
   30   HG23  VAL   5          HG23      VAL   5  16.446  -0.451   1.550
   31    H    ARG   6           H        ARG   6  12.960   2.041   0.383
   32    HA   ARG   6           HA       ARG   6  11.548   1.999  -2.150
   33    HB2  ARG   6           HB2      ARG   6   9.339   2.417  -1.173
   34    HB3  ARG   6           HB3      ARG   6   9.951   0.872  -0.601
   35    HG2  ARG   6           HG2      ARG   6  10.786   2.253   1.498
   36    HG3  ARG   6           HG3      ARG   6   9.644   3.476   0.922
   37    HD2  ARG   6           HD2      ARG   6   7.846   1.715   0.946
   38    HD3  ARG   6           HD3      ARG   6   9.008   0.569   1.629
   39    HE   ARG   6           HE       ARG   6   7.583   2.693   2.971
   40   HH11  ARG   6          HH22      ARG   6  10.594   0.737   3.190
   41   HH12  ARG   6          HH21      ARG   6  10.784   1.090   4.896
   42   HH21  ARG   6          HH11      ARG   6   7.919   3.082   5.205
   43   HH22  ARG   6          HH12      ARG   6   9.315   2.441   6.019
   44    H    THR   7           H        THR   7  10.285   4.319  -2.052
   45    HA   THR   7           HA       THR   7  11.936   6.331  -0.620
   46    HB   THR   7           HB       THR   7  11.072   6.542  -3.537
   47    HG1  THR   7           HG1      THR   7  12.639   5.034  -3.456
   48   HG21  THR   7          HG21      THR   7  12.750   8.407  -3.575
   49   HG22  THR   7          HG22      THR   7  11.351   8.740  -2.553
   50   HG23  THR   7          HG23      THR   7  12.899   8.269  -1.807
   51    H    ILE   8           H        ILE   8  10.786   8.233  -0.225
   52    HA   ILE   8           HA       ILE   8   7.840   7.806  -0.016
   53    HB   ILE   8           HB       ILE   8   7.854   8.539   2.191
   54   HG12  ILE   8          HG12      ILE   8  10.606   9.746   1.877
   55   HG13  ILE   8          HG13      ILE   8   9.074  10.631   1.881
   56   HG21  ILE   8          HG21      ILE   8  10.621   7.288   2.133
   57   HG22  ILE   8          HG22      ILE   8   9.372   7.154   3.379
   58   HG23  ILE   8          HG23      ILE   8   9.138   6.331   1.843
   59   HD11  ILE   8          HD11      ILE   8   8.569   9.664   4.121
   60   HD12  ILE   8          HD12      ILE   8  10.260   9.114   4.213
   61   HD13  ILE   8          HD13      ILE   8   9.907  10.847   4.077
   62    H    TRP   9           H        TRP   9   6.610   9.936   0.266
   63    HA   TRP   9           HA       TRP   9   7.935  12.286  -0.909
   64    HB2  TRP   9           HB2      TRP   9   6.503  10.540  -2.535
   65    HB3  TRP   9           HB3      TRP   9   5.306  11.751  -2.174
   66    HD1  TRP   9           HD1      TRP   9   8.029  10.929  -4.439
   67    HE1  TRP   9           HE1      TRP   9   8.698  12.861  -5.955
   68    HE3  TRP   9           HE3      TRP   9   5.679  14.768  -1.958
   69    HZ2  TRP   9           HZ2      TRP   9   8.268  15.720  -6.098
   70    HZ3  TRP   9           HZ3      TRP   9   5.870  17.085  -2.795
   71    HH2  TRP   9           HH2      TRP   9   7.144  17.575  -4.870
   72    H    VAL  10           H        VAL  10   7.244  11.799   1.766
   73    HA   VAL  10           HA       VAL  10   4.595  12.837   2.363
   74    HB   VAL  10           HB       VAL  10   5.266  12.727   4.678
   75   HG11  VAL  10          HG11      VAL  10   6.342  10.268   3.233
   76   HG12  VAL  10          HG12      VAL  10   5.737  10.361   4.895
   77   HG13  VAL  10          HG13      VAL  10   4.628  10.617   3.543
   78   HG21  VAL  10          HG21      VAL  10   7.498  13.574   4.693
   79   HG22  VAL  10          HG22      VAL  10   7.550  11.933   5.343
   80   HG23  VAL  10          HG23      VAL  10   8.094  12.252   3.675
   81    H    GLY  11           H        GLY  11   4.102  14.826   3.301
   82    HA2  GLY  11           HA2      GLY  11   5.587  17.078   2.200
   83    HA3  GLY  11           HA3      GLY  11   4.035  17.123   3.056
   84    H    GLY  12           H        GLY  12   7.235  15.824   4.048
   85    HA2  GLY  12           HA2      GLY  12   8.464  16.087   5.971
   86    HA3  GLY  12           HA3      GLY  12   8.066  17.810   5.816
   87    H    THR  13           H        THR  13   5.697  15.161   6.387
   88    HA   THR  13           HA       THR  13   4.345  16.552   8.366
   89    HB   THR  13           HB       THR  13   4.209  13.559   8.237
   90    HG1  THR  13           HG1      THR  13   3.446  13.437   6.297
   91   HG21  THR  13          HG21      THR  13   2.513  14.884   9.493
   92   HG22  THR  13          HG22      THR  13   2.074  15.724   7.991
   93   HG23  THR  13          HG23      THR  13   1.795  13.975   8.155
   94    HA   PRO  14           HA       PRO  14   7.147  15.470  11.779
   95    HB2  PRO  14           HB3      PRO  14   5.695  16.425  13.906
   96    HB3  PRO  14           HB2      PRO  14   6.634  17.468  12.794
   97    HG2  PRO  14           HG2      PRO  14   3.667  16.850  12.709
   98    HG3  PRO  14           HG3      PRO  14   4.470  18.447  12.578
   99    HD2  PRO  14           HD2      PRO  14   3.654  17.061  10.385
  100    HD3  PRO  14           HD3      PRO  14   5.169  18.015  10.362
  101    H    GLU  15           H        GLU  15   3.890  14.390  11.235
  102    HA   GLU  15           HA       GLU  15   3.803  12.461  13.392
  103    HB2  GLU  15           HB2      GLU  15   2.067  12.829  10.912
  104    HB3  GLU  15           HB3      GLU  15   1.739  11.689  12.223
  105    HG2  GLU  15           HG2      GLU  15   1.645  13.600  13.837
  106    HG3  GLU  15           HG3      GLU  15   1.850  14.724  12.491
  107    H    GLU  16           H        GLU  16   5.440  12.607  10.388
  108    HA   GLU  16           HA       GLU  16   5.443   9.620  10.096
  109    HB2  GLU  16           HB2      GLU  16   5.529  11.733   7.900
  110    HB3  GLU  16           HB3      GLU  16   5.598   9.977   7.681
  111    HG2  GLU  16           HG2      GLU  16   3.371   9.788   8.806
  112    HG3  GLU  16           HG3      GLU  16   3.281  11.545   8.878
  113    H    LEU  17           H        LEU  17   7.329  12.656   9.451
  114    HA   LEU  17           HA       LEU  17   9.730  11.299   8.891
  115    HB2  LEU  17           HB2      LEU  17  10.905  13.297   9.077
  116    HB3  LEU  17           HB3      LEU  17   9.314  13.682   8.441
  117    HG   LEU  17           HG       LEU  17   8.775  14.038  11.020
  118   HD11  LEU  17          HD11      LEU  17  11.062  13.506  11.902
  119   HD12  LEU  17          HD12      LEU  17  11.740  14.783  10.883
  120   HD13  LEU  17          HD13      LEU  17  10.635  15.184  12.214
  121   HD21  LEU  17          HD21      LEU  17   9.216  16.470  10.707
  122   HD22  LEU  17          HD22      LEU  17  10.259  16.093   9.314
  123   HD23  LEU  17          HD23      LEU  17   8.522  15.737   9.258
  124    H    LYS  18           H        LYS  18   8.164  11.755  11.985
  125    HA   LYS  18           HA       LYS  18  10.579  11.306  13.549
  126    HB2  LYS  18           HB2      LYS  18   7.619  11.218  14.243
  127    HB3  LYS  18           HB3      LYS  18   8.886  10.801  15.405
  128    HG2  LYS  18           HG2      LYS  18   9.955  13.020  15.083
  129    HG3  LYS  18           HG3      LYS  18   8.700  13.463  13.928
  130    HD2  LYS  18           HD2      LYS  18   8.159  14.483  16.023
  131    HD3  LYS  18           HD3      LYS  18   6.983  13.188  15.752
  132    HE2  LYS  18           HE2      LYS  18   8.269  11.701  17.274
  133    HE3  LYS  18           HE3      LYS  18   9.472  12.974  17.510
  134    HZ1  LYS  18           HZ1      LYS  18   7.877  12.914  19.317
  135    HZ2  LYS  18           HZ2      LYS  18   7.738  14.331  18.530
  136    HZ3  LYS  18           HZ3      LYS  18   6.623  13.155  18.308
  137    H    LYS  19           H        LYS  19   8.696   9.139  11.648
  138    HA   LYS  19           HA       LYS  19   9.942   6.813  13.087
  139    HB2  LYS  19           HB2      LYS  19   7.487   6.908  11.274
  140    HB3  LYS  19           HB3      LYS  19   8.236   5.440  11.918
  141    HG2  LYS  19           HG2      LYS  19   7.783   6.221  14.237
  142    HG3  LYS  19           HG3      LYS  19   6.996   7.674  13.591
  143    HD2  LYS  19           HD2      LYS  19   5.322   6.261  12.430
  144    HD3  LYS  19           HD3      LYS  19   6.100   4.803  13.087
  145    HE2  LYS  19           HE2      LYS  19   5.664   5.621  15.396
  146    HE3  LYS  19           HE3      LYS  19   4.883   7.064  14.739
  147    HZ1  LYS  19           HZ1      LYS  19   3.201   5.623  13.746
  148    HZ2  LYS  19           HZ2      LYS  19   3.925   4.286  14.352
  149    HZ3  LYS  19           HZ3      LYS  19   3.266   5.386  15.355
  150    H    LEU  20           H        LEU  20   9.200   8.313   9.905
  151    HA   LEU  20           HA       LEU  20  10.610   6.453   8.337
  152    HB2  LEU  20           HB2      LEU  20   9.655   9.264   7.937
  153    HB3  LEU  20           HB3      LEU  20  10.767   8.573   6.775
  154    HG   LEU  20           HG       LEU  20   8.518   8.310   6.079
  155   HD11  LEU  20          HD11      LEU  20  10.235   6.538   5.503
  156   HD12  LEU  20          HD12      LEU  20   9.509   5.514   6.757
  157   HD13  LEU  20          HD13      LEU  20   8.545   6.024   5.366
  158   HD21  LEU  20          HD21      LEU  20   7.930   6.562   8.476
  159   HD22  LEU  20          HD22      LEU  20   7.231   8.159   8.097
  160   HD23  LEU  20          HD23      LEU  20   6.884   6.783   7.062
  161    H    LYS  21           H        LYS  21  11.846   9.485   9.916
  162    HA   LYS  21           HA       LYS  21  14.432   9.243   8.675
  163    HB2  LYS  21           HB2      LYS  21  13.471  11.349   9.620
  164    HB3  LYS  21           HB3      LYS  21  13.617  10.681  11.244
  165    HG2  LYS  21           HG2      LYS  21  15.365  12.314  10.654
  166    HG3  LYS  21           HG3      LYS  21  16.022  10.757  11.154
  167    HD2  LYS  21           HD2      LYS  21  16.824  10.238   9.019
  168    HD3  LYS  21           HD3      LYS  21  15.619  11.254   8.207
  169    HE2  LYS  21           HE2      LYS  21  17.754  12.292   7.922
  170    HE3  LYS  21           HE3      LYS  21  16.764  13.296   8.981
  171    HZ1  LYS  21           HZ1      LYS  21  19.011  13.107   9.802
  172    HZ2  LYS  21           HZ2      LYS  21  18.016  12.395  10.873
  173    HZ3  LYS  21           HZ3      LYS  21  18.940  11.484   9.862
  174    H    GLU  22           H        GLU  22  13.002   7.813  11.608
  175    HA   GLU  22           HA       GLU  22  15.512   6.813  12.642
  176    HB2  GLU  22           HB2      GLU  22  13.402   7.042  13.987
  177    HB3  GLU  22           HB3      GLU  22  12.697   5.711  13.061
  178    HG2  GLU  22           HG2      GLU  22  14.558   4.227  13.821
  179    HG3  GLU  22           HG3      GLU  22  15.216   5.560  14.770
  180    H    GLU  23           H        GLU  23  12.919   5.460  10.502
  181    HA   GLU  23           HA       GLU  23  14.138   2.960  10.091
  182    HB2  GLU  23           HB2      GLU  23  11.754   3.830   9.458
  183    HB3  GLU  23           HB3      GLU  23  12.507   4.343   7.937
  184    HG2  GLU  23           HG2      GLU  23  13.403   1.939   7.737
  185    HG3  GLU  23           HG3      GLU  23  12.437   1.529   9.149
  186    H    ALA  24           H        ALA  24  14.613   6.032   8.332
  187    HA   ALA  24           HA       ALA  24  16.330   5.094   6.302
  188    HB1  ALA  24           HB1      ALA  24  16.967   7.429   6.063
  189    HB2  ALA  24           HB2      ALA  24  15.238   7.355   6.463
  190    HB3  ALA  24           HB3      ALA  24  16.419   7.804   7.707
  191    H    LYS  25           H        LYS  25  16.973   5.299   9.684
  192    HA   LYS  25           HA       LYS  25  19.925   5.066   9.250
  193    HB2  LYS  25           HB2      LYS  25  18.289   5.796  11.719
  194    HB3  LYS  25           HB3      LYS  25  20.046   5.620  11.679
  195    HG2  LYS  25           HG2      LYS  25  20.305   7.521  10.209
  196    HG3  LYS  25           HG3      LYS  25  18.573   7.611   9.892
  197    HD2  LYS  25           HD2      LYS  25  19.143   9.374  11.394
  198    HD3  LYS  25           HD3      LYS  25  18.131   8.204  12.243
  199    HE2  LYS  25           HE2      LYS  25  20.164   7.199  13.288
  200    HE3  LYS  25           HE3      LYS  25  21.181   8.358  12.425
  201    HZ1  LYS  25           HZ1      LYS  25  19.145   9.067  14.460
  202    HZ2  LYS  25           HZ2      LYS  25  20.755   9.056  14.693
  203    HZ3  LYS  25           HZ3      LYS  25  20.100  10.137  13.671
  204    H    LYS  26           H        LYS  26  16.991   3.461  10.406
  205    HA   LYS  26           HA       LYS  26  18.360   1.348  11.842
  206    HB2  LYS  26           HB2      LYS  26  15.989   2.239  12.160
  207    HB3  LYS  26           HB3      LYS  26  15.532   1.334  10.706
  208    HG2  LYS  26           HG2      LYS  26  16.222  -0.778  11.802
  209    HG3  LYS  26           HG3      LYS  26  16.733   0.120  13.238
  210    HD2  LYS  26           HD2      LYS  26  13.886  -0.050  12.148
  211    HD3  LYS  26           HD3      LYS  26  14.522  -0.933  13.545
  212    HE2  LYS  26           HE2      LYS  26  14.989   1.235  14.697
  213    HE3  LYS  26           HE3      LYS  26  14.316   2.104  13.314
  214    HZ1  LYS  26           HZ1      LYS  26  12.187   0.979  13.767
  215    HZ2  LYS  26           HZ2      LYS  26  12.820   0.328  15.133
  216    HZ3  LYS  26           HZ3      LYS  26  12.689   1.962  14.976
  217    H    ALA  27           H        ALA  27  17.123   1.803   8.531
  218    HA   ALA  27           HA       ALA  27  18.494  -0.677   7.636
  219    HB1  ALA  27           HB1      ALA  27  16.129  -1.256   8.010
  220    HB2  ALA  27           HB2      ALA  27  15.608   0.147   7.057
  221    HB3  ALA  27           HB3      ALA  27  16.463  -1.203   6.273
  222    H    ASN  28           H        ASN  28  18.506  -0.680   5.171
  223    HA   ASN  28           HA       ASN  28  19.844   1.732   4.332
  224    HB2  ASN  28           HB2      ASN  28  20.258  -0.860   3.819
  225    HB3  ASN  28           HB3      ASN  28  19.195  -0.541   2.453
  226   HD21  ASN  28          HD21      ASN  28  19.927   1.591   1.169
  227   HD22  ASN  28          HD22      ASN  28  21.657   1.703   0.869
  228    H    ILE  29           H        ILE  29  16.743   1.784   4.668
  229    HA   ILE  29           HA       ILE  29  15.706   1.956   1.973
  230    HB   ILE  29           HB       ILE  29  13.602   2.420   2.968
  231   HG12  ILE  29          HG12      ILE  29  13.276   2.427   5.434
  232   HG13  ILE  29          HG13      ILE  29  15.000   2.716   5.667
  233   HG21  ILE  29          HG21      ILE  29  14.938   0.413   4.832
  234   HG22  ILE  29          HG22      ILE  29  13.287   0.404   4.206
  235   HG23  ILE  29          HG23      ILE  29  14.655   0.056   3.139
  236   HD11  ILE  29          HD11      ILE  29  13.544   4.709   5.935
  237   HD12  ILE  29          HD12      ILE  29  14.747   4.940   4.680
  238   HD13  ILE  29          HD13      ILE  29  13.058   4.576   4.231
  239    H    ARG  30           H        ARG  30  14.649   3.977   1.066
  240    HA   ARG  30           HA       ARG  30  16.415   6.322   1.629
  241    HB2  ARG  30           HB2      ARG  30  16.298   5.344  -0.697
  242    HB3  ARG  30           HB3      ARG  30  14.594   5.806  -0.765
  243    HG2  ARG  30           HG2      ARG  30  15.225   8.191  -0.457
  244    HG3  ARG  30           HG3      ARG  30  16.932   7.729  -0.389
  245    HD2  ARG  30           HD2      ARG  30  15.046   7.354  -2.759
  246    HD3  ARG  30           HD3      ARG  30  16.250   8.620  -2.591
  247    HE   ARG  30           HE       ARG  30  18.014   7.058  -2.810
  248   HH11  ARG  30          HH22      ARG  30  14.827   5.582  -3.450
  249   HH12  ARG  30          HH21      ARG  30  15.490   4.236  -4.307
  250   HH21  ARG  30          HH11      ARG  30  18.866   5.263  -3.945
  251   HH22  ARG  30          HH12      ARG  30  17.827   4.053  -4.591
  252    H    VAL  31           H        VAL  31  15.530   8.328   2.051
  253    HA   VAL  31           HA       VAL  31  12.605   8.631   2.156
  254    HB   VAL  31           HB       VAL  31  12.692   9.832   4.289
  255   HG11  VAL  31          HG11      VAL  31  12.802   7.922   5.789
  256   HG12  VAL  31          HG12      VAL  31  12.093   7.408   4.249
  257   HG13  VAL  31          HG13      VAL  31  13.777   7.022   4.631
  258   HG21  VAL  31          HG21      VAL  31  15.571   8.849   4.535
  259   HG22  VAL  31          HG22      VAL  31  15.045  10.534   4.373
  260   HG23  VAL  31          HG23      VAL  31  14.623   9.622   5.824
  261    H    THR  32           H        THR  32  11.962  10.790   1.915
  262    HA   THR  32           HA       THR  32  13.899  12.944   1.717
  263    HB   THR  32           HB       THR  32  12.205  12.273  -0.730
  264    HG1  THR  32           HG1      THR  32  14.602  11.324  -0.002
  265   HG21  THR  32          HG21      THR  32  13.630  13.992  -1.853
  266   HG22  THR  32          HG22      THR  32  12.673  14.679  -0.540
  267   HG23  THR  32          HG23      THR  32  14.403  14.353  -0.294
  268    H    PHE  33           H        PHE  33  12.829  14.908   2.080
  269    HA   PHE  33           HA       PHE  33   9.954  14.670   2.875
  270    HB2  PHE  33           HB2      PHE  33  12.186  16.033   4.435
  271    HB3  PHE  33           HB3      PHE  33  10.519  15.836   4.927
  272    HD1  PHE  33           HD1      PHE  33   9.668  13.430   5.416
  273    HD2  PHE  33           HD2      PHE  33  13.844  14.384   4.953
  274    HE1  PHE  33           HE1      PHE  33  10.266  11.390   6.667
  275    HE2  PHE  33           HE2      PHE  33  14.443  12.309   6.182
  276    HZ   PHE  33           HZ       PHE  33  12.660  10.821   7.063
  277    H    TRP  34           H        TRP  34   8.847  16.109   1.623
  278    HA   TRP  34           HA       TRP  34  10.243  18.524   0.573
  279    HB2  TRP  34           HB2      TRP  34   7.693  17.049  -0.156
  280    HB3  TRP  34           HB3      TRP  34   7.953  18.708  -0.661
  281    HD1  TRP  34           HD1      TRP  34   9.507  19.195  -2.635
  282    HE1  TRP  34           HE1      TRP  34  10.816  17.795  -4.318
  283    HE3  TRP  34           HE3      TRP  34   9.076  14.625  -0.363
  284    HZ2  TRP  34           HZ2      TRP  34  11.578  15.012  -4.658
  285    HZ3  TRP  34           HZ3      TRP  34  10.096  12.624  -1.402
  286    HH2  TRP  34           HH2      TRP  34  11.335  12.795  -3.541
  287    H    GLY  35           H        GLY  35   9.390  20.611   0.892
  288    HA2  GLY  35           HA2      GLY  35   7.723  21.064   3.277
  289    HA3  GLY  35           HA3      GLY  35   8.519  22.284   2.265
  290    H    ASP  36           H        ASP  36   6.308  19.581   1.454
  291    HA   ASP  36           HA       ASP  36   5.048  20.900  -0.713
  292    HB2  ASP  36           HB2      ASP  36   5.085  18.493  -0.589
  293    HB3  ASP  36           HB3      ASP  36   4.187  18.506   0.933
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  22.706 -10.179   7.370
    2    H2   GLY   1           H2       GLY   1  21.977  -9.689   5.984
    3    H3   GLY   1           H3       GLY   1  21.170 -10.649   7.038
    4    HA2  GLY   1           HA2      GLY   1  21.164  -8.920   8.705
    5    HA3  GLY   1           HA3      GLY   1  22.045  -7.890   7.567
    6    H    SER   2           H        SER   2  18.957  -8.742   8.707
    7    HA   SER   2           HA       SER   2  17.297  -8.451   6.452
    8    HB2  SER   2           HB2      SER   2  16.717  -7.598   9.315
    9    HB3  SER   2           HB3      SER   2  15.546  -8.096   8.082
   10    HG   SER   2           HG       SER   2  16.034  -9.783   9.560
   11    H    GLY   3           H        GLY   3  16.008  -6.644   5.740
   12    HA2  GLY   3           HA2      GLY   3  16.164  -3.989   6.640
   13    HA3  GLY   3           HA3      GLY   3  17.383  -4.204   5.368
   14    H    GLN   4           H        GLN   4  15.671  -2.500   4.519
   15    HA   GLN   4           HA       GLN   4  14.175  -3.820   2.437
   16    HB2  GLN   4           HB2      GLN   4  12.050  -2.629   2.875
   17    HB3  GLN   4           HB3      GLN   4  12.445  -3.835   4.084
   18    HG2  GLN   4           HG2      GLN   4  13.224  -1.949   5.615
   19    HG3  GLN   4           HG3      GLN   4  12.637  -0.800   4.419
   20   HE21  GLN   4          HE21      GLN   4  10.697   0.076   5.440
   21   HE22  GLN   4          HE22      GLN   4   9.434  -0.968   6.024
   22    H    VAL   5           H        VAL   5  13.392  -2.156   0.844
   23    HA   VAL   5           HA       VAL   5  14.723   0.452   1.055
   24    HB   VAL   5           HB       VAL   5  14.857  -0.854  -1.631
   25   HG11  VAL   5          HG11      VAL   5  15.460   1.513  -1.282
   26   HG12  VAL   5          HG12      VAL   5  16.728   1.020  -0.134
   27   HG13  VAL   5          HG13      VAL   5  16.839   0.562  -1.844
   28   HG21  VAL   5          HG21      VAL   5  15.890  -2.660  -0.360
   29   HG22  VAL   5          HG22      VAL   5  17.130  -1.759  -1.231
   30   HG23  VAL   5          HG23      VAL   5  16.918  -1.503   0.511
   31    H    ARG   6           H        ARG   6  13.330   2.029   0.383
   32    HA   ARG   6           HA       ARG   6  11.435   1.709  -1.724
   33    HB2  ARG   6           HB2      ARG   6   9.427   2.330  -0.409
   34    HB3  ARG   6           HB3      ARG   6   9.997   0.716  -0.027
   35    HG2  ARG   6           HG2      ARG   6  10.917   1.463   2.106
   36    HG3  ARG   6           HG3      ARG   6  10.552   3.162   1.725
   37    HD2  ARG   6           HD2      ARG   6   8.156   2.619   1.603
   38    HD3  ARG   6           HD3      ARG   6   8.500   0.924   1.983
   39    HE   ARG   6           HE       ARG   6   9.581   2.120   4.159
   40   HH11  ARG   6          HH22      ARG   6   6.419   2.607   2.581
   41   HH12  ARG   6          HH21      ARG   6   5.597   2.968   4.051
   42   HH21  ARG   6          HH11      ARG   6   8.487   2.563   6.097
   43   HH22  ARG   6          HH12      ARG   6   6.794   2.950   6.086
   44    H    THR   7           H        THR   7  10.520   3.865  -2.226
   45    HA   THR   7           HA       THR   7  12.006   6.141  -0.997
   46    HB   THR   7           HB       THR   7  10.363   6.111  -3.556
   47    HG1  THR   7           HG1      THR   7  12.119   4.642  -3.680
   48   HG21  THR   7          HG21      THR   7  11.806   8.057  -4.144
   49   HG22  THR   7          HG22      THR   7  10.838   8.373  -2.704
   50   HG23  THR   7          HG23      THR   7  12.563   7.974  -2.538
   51    H    ILE   8           H        ILE   8  10.788   7.929  -0.328
   52    HA   ILE   8           HA       ILE   8   8.009   7.251   0.548
   53    HB   ILE   8           HB       ILE   8   8.401   8.396   2.578
   54   HG12  ILE   8          HG12      ILE   8  11.016   9.427   1.485
   55   HG13  ILE   8          HG13      ILE   8   9.537  10.367   1.696
   56   HG21  ILE   8          HG21      ILE   8  11.066   6.992   2.101
   57   HG22  ILE   8          HG22      ILE   8  10.156   7.114   3.614
   58   HG23  ILE   8          HG23      ILE   8   9.532   6.105   2.308
   59   HD11  ILE   8          HD11      ILE   8  11.163   9.152   3.936
   60   HD12  ILE   8          HD12      ILE   8  10.846  10.865   3.608
   61   HD13  ILE   8          HD13      ILE   8   9.524   9.778   4.106
   62    H    TRP   9           H        TRP   9   6.738   9.407   1.070
   63    HA   TRP   9           HA       TRP   9   7.550  11.690  -0.528
   64    HB2  TRP   9           HB2      TRP   9   6.002   9.894  -1.873
   65    HB3  TRP   9           HB3      TRP   9   4.750  10.886  -1.186
   66    HD1  TRP   9           HD1      TRP   9   7.068  10.627  -3.977
   67    HE1  TRP   9           HE1      TRP   9   7.051  12.689  -5.477
   68    HE3  TRP   9           HE3      TRP   9   4.848  13.930  -0.751
   69    HZ2  TRP   9           HZ2      TRP   9   6.174  15.444  -5.309
   70    HZ3  TRP   9           HZ3      TRP   9   4.582  16.310  -1.409
   71    HH2  TRP   9           HH2      TRP   9   5.187  17.062  -3.691
   72    H    VAL  10           H        VAL  10   7.840  12.244   1.766
   73    HA   VAL  10           HA       VAL  10   5.286  13.259   2.935
   74    HB   VAL  10           HB       VAL  10   6.016  12.825   5.146
   75   HG11  VAL  10          HG11      VAL  10   5.898  10.436   5.312
   76   HG12  VAL  10          HG12      VAL  10   4.890  10.932   3.945
   77   HG13  VAL  10          HG13      VAL  10   6.495  10.219   3.655
   78   HG21  VAL  10          HG21      VAL  10   8.622  11.811   3.984
   79   HG22  VAL  10          HG22      VAL  10   8.351  13.163   5.090
   80   HG23  VAL  10          HG23      VAL  10   8.106  11.517   5.665
   81    H    GLY  11           H        GLY  11   5.490  15.182   4.124
   82    HA2  GLY  11           HA2      GLY  11   7.992  16.538   4.444
   83    HA3  GLY  11           HA3      GLY  11   7.022  17.273   3.146
   84    H    GLY  12           H        GLY  12   7.744  18.001   6.091
   85    HA2  GLY  12           HA2      GLY  12   6.807  19.069   7.857
   86    HA3  GLY  12           HA3      GLY  12   5.553  19.581   6.718
   87    H    THR  13           H        THR  13   5.942  16.097   7.518
   88    HA   THR  13           HA       THR  13   3.234  15.946   8.490
   89    HB   THR  13           HB       THR  13   4.082  13.517   8.900
   90    HG1  THR  13           HG1      THR  13   5.928  13.125   7.458
   91   HG21  THR  13          HG21      THR  13   4.154  14.692   6.083
   92   HG22  THR  13          HG22      THR  13   3.871  12.988   6.510
   93   HG23  THR  13          HG23      THR  13   2.688  14.219   6.967
   94    HA   PRO  14           HA       PRO  14   4.056  16.987  12.599
   95    HB2  PRO  14           HB3      PRO  14   2.261  15.513  14.089
   96    HB3  PRO  14           HB2      PRO  14   1.802  16.869  13.015
   97    HG2  PRO  14           HG2      PRO  14   1.743  13.901  12.399
   98    HG3  PRO  14           HG3      PRO  14   0.463  15.121  12.101
   99    HD2  PRO  14           HD2      PRO  14   2.164  14.345  10.131
  100    HD3  PRO  14           HD3      PRO  14   1.647  16.052  10.276
  101    H    GLU  15           H        GLU  15   4.324  13.568  11.809
  102    HA   GLU  15           HA       GLU  15   6.597  13.249  13.533
  103    HB2  GLU  15           HB2      GLU  15   4.428  12.879  14.979
  104    HB3  GLU  15           HB3      GLU  15   4.286  11.354  14.105
  105    HG2  GLU  15           HG2      GLU  15   6.536  10.692  14.915
  106    HG3  GLU  15           HG3      GLU  15   6.739  12.270  15.679
  107    H    GLU  16           H        GLU  16   4.620  12.266  10.812
  108    HA   GLU  16           HA       GLU  16   5.553   9.598  10.618
  109    HB2  GLU  16           HB2      GLU  16   4.646  11.402   8.341
  110    HB3  GLU  16           HB3      GLU  16   4.796   9.644   8.301
  111    HG2  GLU  16           HG2      GLU  16   3.137   9.499  10.184
  112    HG3  GLU  16           HG3      GLU  16   2.916  11.246  10.085
  113    H    LEU  17           H        LEU  17   7.001  12.657   9.401
  114    HA   LEU  17           HA       LEU  17   9.129  11.346   8.051
  115    HB2  LEU  17           HB2      LEU  17  10.279  13.483   7.984
  116    HB3  LEU  17           HB3      LEU  17   8.624  13.513   7.399
  117    HG   LEU  17           HG       LEU  17   8.009  14.334   9.748
  118   HD11  LEU  17          HD11      LEU  17  10.154  14.106  10.947
  119   HD12  LEU  17          HD12      LEU  17  10.967  15.104   9.727
  120   HD13  LEU  17          HD13      LEU  17   9.750  15.810  10.811
  121   HD21  LEU  17          HD21      LEU  17   7.883  15.671   7.656
  122   HD22  LEU  17          HD22      LEU  17   8.343  16.680   9.033
  123   HD23  LEU  17          HD23      LEU  17   9.577  16.157   7.859
  124    H    LYS  18           H        LYS  18   8.517  11.738  11.453
  125    HA   LYS  18           HA       LYS  18  11.369  11.478  12.174
  126    HB2  LYS  18           HB2      LYS  18   9.708  12.730  13.610
  127    HB3  LYS  18           HB3      LYS  18   8.914  11.187  13.964
  128    HG2  LYS  18           HG2      LYS  18  11.026  10.320  14.938
  129    HG3  LYS  18           HG3      LYS  18  11.823  11.861  14.562
  130    HD2  LYS  18           HD2      LYS  18  10.213  13.047  16.061
  131    HD3  LYS  18           HD3      LYS  18   9.399  11.513  16.386
  132    HE2  LYS  18           HE2      LYS  18  10.816  11.969  18.254
  133    HE3  LYS  18           HE3      LYS  18  11.510  10.608  17.372
  134    HZ1  LYS  18           HZ1      LYS  18  13.124  12.153  16.406
  135    HZ2  LYS  18           HZ2      LYS  18  12.454  13.416  17.205
  136    HZ3  LYS  18           HZ3      LYS  18  13.186  12.222  18.031
  137    H    LYS  19           H        LYS  19   8.372   9.456  12.125
  138    HA   LYS  19           HA       LYS  19   9.661   6.994  12.841
  139    HB2  LYS  19           HB2      LYS  19   7.083   7.793  11.516
  140    HB3  LYS  19           HB3      LYS  19   7.689   6.192  11.113
  141    HG2  LYS  19           HG2      LYS  19   6.155   6.038  12.965
  142    HG3  LYS  19           HG3      LYS  19   7.776   5.530  13.439
  143    HD2  LYS  19           HD2      LYS  19   8.126   7.714  14.587
  144    HD3  LYS  19           HD3      LYS  19   6.487   8.219  14.106
  145    HE2  LYS  19           HE2      LYS  19   5.520   6.308  15.333
  146    HE3  LYS  19           HE3      LYS  19   7.134   5.712  15.732
  147    HZ1  LYS  19           HZ1      LYS  19   6.168   6.900  17.575
  148    HZ2  LYS  19           HZ2      LYS  19   7.473   7.724  17.051
  149    HZ3  LYS  19           HZ3      LYS  19   5.956   8.260  16.696
  150    H    LEU  20           H        LEU  20   9.107   8.481   9.595
  151    HA   LEU  20           HA       LEU  20  10.468   6.328   8.270
  152    HB2  LEU  20           HB2      LEU  20   9.810   9.137   7.314
  153    HB3  LEU  20           HB3      LEU  20  10.467   7.860   6.292
  154    HG   LEU  20           HG       LEU  20   7.779   7.737   7.743
  155   HD11  LEU  20          HD11      LEU  20   6.733   7.971   5.629
  156   HD12  LEU  20          HD12      LEU  20   7.843   9.320   5.882
  157   HD13  LEU  20          HD13      LEU  20   8.296   7.982   4.792
  158   HD21  LEU  20          HD21      LEU  20   7.372   5.718   6.323
  159   HD22  LEU  20          HD22      LEU  20   9.075   5.754   5.819
  160   HD23  LEU  20          HD23      LEU  20   8.638   5.457   7.517
  161    H    LYS  21           H        LYS  21  11.705   9.499   9.547
  162    HA   LYS  21           HA       LYS  21  14.353   9.069   8.583
  163    HB2  LYS  21           HB2      LYS  21  13.664  11.193   9.569
  164    HB3  LYS  21           HB3      LYS  21  13.387  10.426  11.132
  165    HG2  LYS  21           HG2      LYS  21  15.439  11.721  11.110
  166    HG3  LYS  21           HG3      LYS  21  15.781  10.021  11.415
  167    HD2  LYS  21           HD2      LYS  21  16.588   9.698   9.144
  168    HD3  LYS  21           HD3      LYS  21  16.069  11.319   8.659
  169    HE2  LYS  21           HE2      LYS  21  18.170  10.712  10.795
  170    HE3  LYS  21           HE3      LYS  21  18.545  11.031   9.099
  171    HZ1  LYS  21           HZ1      LYS  21  17.575  13.238   9.352
  172    HZ2  LYS  21           HZ2      LYS  21  17.239  12.960  10.930
  173    HZ3  LYS  21           HZ3      LYS  21  18.782  13.020  10.419
  174    H    GLU  22           H        GLU  22  12.768   7.801  11.592
  175    HA   GLU  22           HA       GLU  22  15.086   6.378  12.489
  176    HB2  GLU  22           HB2      GLU  22  12.923   6.882  13.771
  177    HB3  GLU  22           HB3      GLU  22  12.199   5.519  12.906
  178    HG2  GLU  22           HG2      GLU  22  14.032   4.048  13.791
  179    HG3  GLU  22           HG3      GLU  22  14.667   5.422  14.696
  180    H    GLU  23           H        GLU  23  12.481   5.409  10.210
  181    HA   GLU  23           HA       GLU  23  13.544   2.831   9.691
  182    HB2  GLU  23           HB2      GLU  23  11.258   3.791   9.100
  183    HB3  GLU  23           HB3      GLU  23  12.016   4.530   7.692
  184    HG2  GLU  23           HG2      GLU  23  12.767   2.245   6.948
  185    HG3  GLU  23           HG3      GLU  23  12.024   1.545   8.382
  186    H    ALA  24           H        ALA  24  14.527   6.029   8.379
  187    HA   ALA  24           HA       ALA  24  16.327   4.938   6.422
  188    HB1  ALA  24           HB1      ALA  24  17.215   7.128   6.233
  189    HB2  ALA  24           HB2      ALA  24  15.501   7.368   6.626
  190    HB3  ALA  24           HB3      ALA  24  16.737   7.575   7.874
  191    H    LYS  25           H        LYS  25  16.605   5.439   9.930
  192    HA   LYS  25           HA       LYS  25  19.497   4.846   9.918
  193    HB2  LYS  25           HB2      LYS  25  17.577   4.786  12.286
  194    HB3  LYS  25           HB3      LYS  25  19.329   4.823  12.334
  195    HG2  LYS  25           HG2      LYS  25  17.429   7.054  11.569
  196    HG3  LYS  25           HG3      LYS  25  18.522   6.996  12.928
  197    HD2  LYS  25           HD2      LYS  25  19.278   7.286   9.988
  198    HD3  LYS  25           HD3      LYS  25  19.316   8.550  11.197
  199    HE2  LYS  25           HE2      LYS  25  21.055   6.035  11.250
  200    HE3  LYS  25           HE3      LYS  25  21.566   7.607  10.637
  201    HZ1  LYS  25           HZ1      LYS  25  21.251   8.522  12.860
  202    HZ2  LYS  25           HZ2      LYS  25  20.796   7.063  13.448
  203    HZ3  LYS  25           HZ3      LYS  25  22.309   7.288  12.892
  204    H    LYS  26           H        LYS  26  16.404   3.122  10.254
  205    HA   LYS  26           HA       LYS  26  17.747   0.726  11.304
  206    HB2  LYS  26           HB2      LYS  26  14.911   1.677  10.902
  207    HB3  LYS  26           HB3      LYS  26  15.217  -0.057  11.121
  208    HG2  LYS  26           HG2      LYS  26  16.411   0.412  13.235
  209    HG3  LYS  26           HG3      LYS  26  16.119   2.150  13.027
  210    HD2  LYS  26           HD2      LYS  26  13.692   1.794  13.162
  211    HD3  LYS  26           HD3      LYS  26  13.927   0.034  13.253
  212    HE2  LYS  26           HE2      LYS  26  15.147   0.251  15.365
  213    HE3  LYS  26           HE3      LYS  26  15.059   2.016  15.279
  214    HZ1  LYS  26           HZ1      LYS  26  12.702   1.917  15.555
  215    HZ2  LYS  26           HZ2      LYS  26  12.678   0.266  15.486
  216    HZ3  LYS  26           HZ3      LYS  26  13.377   1.028  16.747
  217    H    ALA  27           H        ALA  27  16.595   1.795   8.165
  218    HA   ALA  27           HA       ALA  27  17.409  -0.791   6.957
  219    HB1  ALA  27           HB1      ALA  27  14.810   0.741   6.460
  220    HB2  ALA  27           HB2      ALA  27  15.352  -0.688   5.563
  221    HB3  ALA  27           HB3      ALA  27  14.953  -0.827   7.281
  222    H    ASN  28           H        ASN  28  17.319  -0.446   4.458
  223    HA   ASN  28           HA       ASN  28  19.298   1.631   3.936
  224    HB2  ASN  28           HB2      ASN  28  19.425  -0.792   3.190
  225    HB3  ASN  28           HB3      ASN  28  18.062  -0.459   2.110
  226   HD21  ASN  28          HD21      ASN  28  21.318   1.001   2.901
  227   HD22  ASN  28          HD22      ASN  28  21.749   1.276   1.237
  228    H    ILE  29           H        ILE  29  16.047   1.869   3.991
  229    HA   ILE  29           HA       ILE  29  15.121   2.513   1.492
  230    HB   ILE  29           HB       ILE  29  13.292   3.659   2.661
  231   HG12  ILE  29          HG12      ILE  29  14.450   2.984   5.356
  232   HG13  ILE  29          HG13      ILE  29  15.047   4.457   4.586
  233   HG21  ILE  29          HG21      ILE  29  14.136   1.066   4.034
  234   HG22  ILE  29          HG22      ILE  29  12.511   1.760   4.025
  235   HG23  ILE  29          HG23      ILE  29  13.229   1.197   2.523
  236   HD11  ILE  29          HD11      ILE  29  12.683   5.227   4.281
  237   HD12  ILE  29          HD12      ILE  29  12.159   3.851   5.250
  238   HD13  ILE  29          HD13      ILE  29  13.230   5.078   5.967
  239    H    ARG  30           H        ARG  30  14.453   4.405   0.436
  240    HA   ARG  30           HA       ARG  30  16.469   6.569   0.594
  241    HB2  ARG  30           HB2      ARG  30  16.178   5.256  -1.525
  242    HB3  ARG  30           HB3      ARG  30  14.493   5.782  -1.617
  243    HG2  ARG  30           HG2      ARG  30  15.213   8.129  -1.901
  244    HG3  ARG  30           HG3      ARG  30  16.893   7.665  -1.600
  245    HD2  ARG  30           HD2      ARG  30  16.638   7.944  -3.948
  246    HD3  ARG  30           HD3      ARG  30  16.816   6.205  -3.638
  247    HE   ARG  30           HE       ARG  30  14.133   6.419  -3.698
  248   HH11  ARG  30          HH22      ARG  30  16.574   7.661  -5.977
  249   HH12  ARG  30          HH21      ARG  30  15.541   7.523  -7.350
  250   HH21  ARG  30          HH11      ARG  30  12.828   6.211  -5.449
  251   HH22  ARG  30          HH12      ARG  30  13.319   6.682  -7.055
  252    H    VAL  31           H        VAL  31  15.514   7.395   2.491
  253    HA   VAL  31           HA       VAL  31  12.861   8.566   2.350
  254    HB   VAL  31           HB       VAL  31  13.432   9.896   4.294
  255   HG11  VAL  31          HG11      VAL  31  14.272   6.998   4.676
  256   HG12  VAL  31          HG12      VAL  31  13.506   8.080   5.857
  257   HG13  VAL  31          HG13      VAL  31  12.595   7.527   4.462
  258   HG21  VAL  31          HG21      VAL  31  15.860  10.289   3.956
  259   HG22  VAL  31          HG22      VAL  31  15.542   9.560   5.529
  260   HG23  VAL  31          HG23      VAL  31  16.187   8.561   4.210
  261    H    THR  32           H        THR  32  12.252  10.574   1.729
  262    HA   THR  32           HA       THR  32  14.182  12.561   0.756
  263    HB   THR  32           HB       THR  32  11.874  11.531  -0.970
  264    HG1  THR  32           HG1      THR  32  13.481   9.960  -0.911
  265   HG21  THR  32          HG21      THR  32  12.970  12.853  -2.752
  266   HG22  THR  32          HG22      THR  32  12.514  13.883  -1.388
  267   HG23  THR  32          HG23      THR  32  14.211  13.396  -1.599
  268    H    PHE  33           H        PHE  33  13.430  14.486   1.579
  269    HA   PHE  33           HA       PHE  33  10.696  14.456   2.784
  270    HB2  PHE  33           HB2      PHE  33  13.238  15.769   3.795
  271    HB3  PHE  33           HB3      PHE  33  11.650  15.872   4.539
  272    HD1  PHE  33           HD2      PHE  33  10.508  13.440   4.986
  273    HD2  PHE  33           HD1      PHE  33  14.741  14.213   4.747
  274    HE1  PHE  33           HE2      PHE  33  10.944  11.474   6.429
  275    HE2  PHE  33           HE1      PHE  33  15.177  12.223   6.160
  276    HZ   PHE  33           HZ       PHE  33  13.281  10.857   7.018
  277    H    TRP  34           H        TRP  34   9.405  15.691   1.654
  278    HA   TRP  34           HA       TRP  34  10.259  18.040   0.122
  279    HB2  TRP  34           HB2      TRP  34   7.625  16.637   0.723
  280    HB3  TRP  34           HB3      TRP  34   7.642  18.240   0.028
  281    HD1  TRP  34           HD1      TRP  34   8.045  18.500  -2.457
  282    HE1  TRP  34           HE1      TRP  34   8.769  17.039  -4.415
  283    HE3  TRP  34           HE3      TRP  34   8.895  14.108   0.070
  284    HZ2  TRP  34           HZ2      TRP  34   9.755  14.340  -4.822
  285    HZ3  TRP  34           HZ3      TRP  34   9.734  12.134  -1.130
  286    HH2  TRP  34           HH2      TRP  34  10.181  12.227  -3.571
  287    H    GLY  35           H        GLY  35   9.209  20.186   0.582
  288    HA2  GLY  35           HA2      GLY  35   9.404  20.995   3.371
  289    HA3  GLY  35           HA3      GLY  35   8.796  21.960   2.006
  290    H    ASP  36           H        ASP  36   6.774  20.408   0.982
  291    HA   ASP  36           HA       ASP  36   5.082  19.098   2.865
  292    HB2  ASP  36           HB2      ASP  36   4.293  21.326   3.462
  293    HB3  ASP  36           HB3      ASP  36   4.270  21.831   1.771
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  18.383 -12.430   1.335
    2    H2   GLY   1           H2       GLY   1  16.757 -12.576   1.499
    3    H3   GLY   1           H3       GLY   1  17.659 -11.987   2.735
    4    HA2  GLY   1           HA2      GLY   1  17.267 -10.676   0.130
    5    HA3  GLY   1           HA3      GLY   1  16.480 -10.206   1.644
    6    H    SER   2           H        SER   2  19.201  -9.695  -0.364
    7    HA   SER   2           HA       SER   2  21.233  -9.097   1.476
    8    HB2  SER   2           HB2      SER   2  20.793  -7.830  -1.253
    9    HB3  SER   2           HB3      SER   2  22.333  -8.097  -0.418
   10    HG   SER   2           HG       SER   2  21.924  -9.684  -2.022
   11    H    GLY   3           H        GLY   3  18.395  -7.179   0.646
   12    HA2  GLY   3           HA2      GLY   3  18.831  -5.223   2.643
   13    HA3  GLY   3           HA3      GLY   3  19.308  -4.561   1.066
   14    H    GLN   4           H        GLN   4  17.376  -3.137   1.774
   15    HA   GLN   4           HA       GLN   4  15.021  -4.001   0.273
   16    HB2  GLN   4           HB2      GLN   4  13.472  -3.226   2.057
   17    HB3  GLN   4           HB3      GLN   4  14.349  -4.690   2.487
   18    HG2  GLN   4           HG2      GLN   4  15.884  -3.373   3.929
   19    HG3  GLN   4           HG3      GLN   4  15.039  -1.892   3.504
   20   HE21  GLN   4          HE21      GLN   4  15.147  -4.468   5.757
   21   HE22  GLN   4          HE22      GLN   4  13.597  -4.187   6.506
   22    H    VAL   5           H        VAL   5  13.796  -2.153  -0.473
   23    HA   VAL   5           HA       VAL   5  14.760   0.530   0.183
   24    HB   VAL   5           HB       VAL   5  14.617  -0.366  -2.723
   25   HG11  VAL   5          HG11      VAL   5  15.682   1.832  -3.170
   26   HG12  VAL   5          HG12      VAL   5  14.110   2.023  -2.405
   27   HG13  VAL   5          HG13      VAL   5  15.595   2.230  -1.443
   28   HG21  VAL   5          HG21      VAL   5  16.656  -1.376  -1.772
   29   HG22  VAL   5          HG22      VAL   5  17.063  -0.051  -2.857
   30   HG23  VAL   5          HG23      VAL   5  17.126   0.209  -1.102
   31    H    ARG   6           H        ARG   6  13.105   1.989   0.025
   32    HA   ARG   6           HA       ARG   6  10.793   1.638  -1.607
   33    HB2  ARG   6           HB2      ARG   6   9.113   1.972   0.187
   34    HB3  ARG   6           HB3      ARG   6   9.882   0.394   0.252
   35    HG2  ARG   6           HG2      ARG   6  11.304   1.122   2.109
   36    HG3  ARG   6           HG3      ARG   6  10.591   2.743   2.073
   37    HD2  ARG   6           HD2      ARG   6   8.434   1.911   2.731
   38    HD3  ARG   6           HD3      ARG   6   8.899   0.234   2.452
   39    HE   ARG   6           HE       ARG   6   9.457   1.872   4.804
   40   HH11  ARG   6          HH22      ARG   6  10.355  -1.096   3.057
   41   HH12  ARG   6          HH21      ARG   6  11.292  -1.737   4.369
   42   HH21  ARG   6          HH11      ARG   6  10.441   0.910   6.597
   43   HH22  ARG   6          HH12      ARG   6  11.221  -0.645   6.461
   44    H    THR   7           H        THR   7   9.489   3.771  -1.368
   45    HA   THR   7           HA       THR   7  11.251   6.059  -0.661
   46    HB   THR   7           HB       THR   7   9.845   5.729  -3.346
   47    HG1  THR   7           HG1      THR   7  11.416   4.244  -3.378
   48   HG21  THR   7          HG21      THR   7  11.936   7.708  -2.338
   49   HG22  THR   7          HG22      THR   7  11.472   7.516  -4.044
   50   HG23  THR   7          HG23      THR   7  10.274   8.058  -2.866
   51    H    ILE   8           H        ILE   8  10.104   8.003  -0.474
   52    HA   ILE   8           HA       ILE   8   7.247   7.655   0.305
   53    HB   ILE   8           HB       ILE   8   7.613   8.540   2.420
   54   HG12  ILE   8          HG12      ILE   8  10.342   9.607   1.657
   55   HG13  ILE   8          HG13      ILE   8   8.858  10.562   1.768
   56   HG21  ILE   8          HG21      ILE   8   9.274   7.200   3.475
   57   HG22  ILE   8          HG22      ILE   8   8.778   6.271   2.074
   58   HG23  ILE   8          HG23      ILE   8  10.316   7.195   2.052
   59   HD11  ILE   8          HD11      ILE   8   9.965  10.892   3.834
   60   HD12  ILE   8          HD12      ILE   8   8.583   9.801   4.131
   61   HD13  ILE   8          HD13      ILE   8  10.241   9.161   4.069
   62    H    TRP   9           H        TRP   9   6.162   9.884   0.649
   63    HA   TRP   9           HA       TRP   9   7.389  12.081  -0.852
   64    HB2  TRP   9           HB2      TRP   9   5.690  10.335  -2.200
   65    HB3  TRP   9           HB3      TRP   9   4.613  11.632  -1.772
   66    HD1  TRP   9           HD1      TRP   9   7.182  10.595  -4.188
   67    HE1  TRP   9           HE1      TRP   9   7.745  12.424  -5.871
   68    HE3  TRP   9           HE3      TRP   9   5.030  14.593  -1.792
   69    HZ2  TRP   9           HZ2      TRP   9   7.319  15.278  -6.155
   70    HZ3  TRP   9           HZ3      TRP   9   5.213  16.859  -2.745
   71    HH2  TRP   9           HH2      TRP   9   6.323  17.216  -4.944
   72    H    VAL  10           H        VAL  10   7.027  11.832   1.915
   73    HA   VAL  10           HA       VAL  10   4.524  13.138   2.689
   74    HB   VAL  10           HB       VAL  10   5.378  13.090   4.931
   75   HG11  VAL  10          HG11      VAL  10   4.448  10.985   3.986
   76   HG12  VAL  10          HG12      VAL  10   6.095  10.448   3.584
   77   HG13  VAL  10          HG13      VAL  10   5.629  10.701   5.272
   78   HG21  VAL  10          HG21      VAL  10   8.048  12.265   3.745
   79   HG22  VAL  10          HG22      VAL  10   7.672  13.695   4.720
   80   HG23  VAL  10          HG23      VAL  10   7.622  12.096   5.466
   81    H    GLY  11           H        GLY  11   4.358  15.214   3.578
   82    HA2  GLY  11           HA2      GLY  11   5.941  17.246   2.209
   83    HA3  GLY  11           HA3      GLY  11   4.515  17.491   3.233
   84    H    GLY  12           H        GLY  12   7.611  15.828   3.963
   85    HA2  GLY  12           HA2      GLY  12   8.943  15.890   5.835
   86    HA3  GLY  12           HA3      GLY  12   8.848  17.657   5.681
   87    H    THR  13           H        THR  13   6.089  15.441   6.352
   88    HA   THR  13           HA       THR  13   4.954  17.111   8.188
   89    HB   THR  13           HB       THR  13   4.457  14.129   8.091
   90    HG1  THR  13           HG1      THR  13   3.332  14.462   6.148
   91   HG21  THR  13          HG21      THR  13   2.102  14.821   8.168
   92   HG22  THR  13          HG22      THR  13   2.982  15.581   9.502
   93   HG23  THR  13          HG23      THR  13   2.572  16.533   8.060
   94    HA   PRO  14           HA       PRO  14   7.467  16.119  11.863
   95    HB2  PRO  14           HB3      PRO  14   4.992  17.218  13.203
   96    HB3  PRO  14           HB2      PRO  14   6.714  17.538  13.582
   97    HG2  PRO  14           HG2      PRO  14   5.269  19.351  12.179
   98    HG3  PRO  14           HG3      PRO  14   6.943  18.957  11.670
   99    HD2  PRO  14           HD2      PRO  14   4.340  17.934  10.518
  100    HD3  PRO  14           HD3      PRO  14   5.817  18.493   9.673
  101    H    GLU  15           H        GLU  15   4.126  15.130  11.232
  102    HA   GLU  15           HA       GLU  15   3.878  13.300  13.414
  103    HB2  GLU  15           HB2      GLU  15   2.044  14.440  11.986
  104    HB3  GLU  15           HB3      GLU  15   2.397  13.230  10.756
  105    HG2  GLU  15           HG2      GLU  15   0.514  12.438  11.941
  106    HG3  GLU  15           HG3      GLU  15   1.843  11.446  12.515
  107    H    GLU  16           H        GLU  16   5.404  13.122  10.268
  108    HA   GLU  16           HA       GLU  16   5.398  10.140  10.235
  109    HB2  GLU  16           HB2      GLU  16   6.053  12.230   8.109
  110    HB3  GLU  16           HB3      GLU  16   6.124  10.486   7.856
  111    HG2  GLU  16           HG2      GLU  16   3.614  11.961   8.741
  112    HG3  GLU  16           HG3      GLU  16   4.017  11.660   7.056
  113    H    LEU  17           H        LEU  17   7.531  13.006  10.140
  114    HA   LEU  17           HA       LEU  17  10.042  11.750  10.160
  115    HB2  LEU  17           HB2      LEU  17   8.999  14.262  11.516
  116    HB3  LEU  17           HB3      LEU  17  10.694  13.802  11.603
  117    HG   LEU  17           HG       LEU  17   9.251  14.228   8.952
  118   HD11  LEU  17          HD11      LEU  17  10.375  16.430   8.894
  119   HD12  LEU  17          HD12      LEU  17   9.229  16.322  10.234
  120   HD13  LEU  17          HD13      LEU  17  10.973  16.175  10.549
  121   HD21  LEU  17          HD21      LEU  17  11.557  14.450   8.069
  122   HD22  LEU  17          HD22      LEU  17  12.219  14.100   9.678
  123   HD23  LEU  17          HD23      LEU  17  11.313  12.861   8.789
  124    H    LYS  18           H        LYS  18   7.578  11.556  12.609
  125    HA   LYS  18           HA       LYS  18   9.230  10.950  14.890
  126    HB2  LYS  18           HB2      LYS  18   6.414  10.126  14.088
  127    HB3  LYS  18           HB3      LYS  18   7.160   9.563  15.586
  128    HG2  LYS  18           HG2      LYS  18   7.430  11.802  16.435
  129    HG3  LYS  18           HG3      LYS  18   6.914  12.508  14.902
  130    HD2  LYS  18           HD2      LYS  18   4.666  11.461  15.182
  131    HD3  LYS  18           HD3      LYS  18   5.184  10.817  16.756
  132    HE2  LYS  18           HE2      LYS  18   5.582  13.121  17.575
  133    HE3  LYS  18           HE3      LYS  18   5.135  13.772  15.991
  134    HZ1  LYS  18           HZ1      LYS  18   3.315  12.283  17.788
  135    HZ2  LYS  18           HZ2      LYS  18   3.285  13.893  17.520
  136    HZ3  LYS  18           HZ3      LYS  18   2.913  12.859  16.302
  137    H    LYS  19           H        LYS  19   8.429   9.026  12.025
  138    HA   LYS  19           HA       LYS  19   9.889   6.698  13.235
  139    HB2  LYS  19           HB2      LYS  19   7.323   6.631  11.588
  140    HB3  LYS  19           HB3      LYS  19   8.283   5.222  12.055
  141    HG2  LYS  19           HG2      LYS  19   7.912   5.770  14.461
  142    HG3  LYS  19           HG3      LYS  19   6.879   7.131  13.977
  143    HD2  LYS  19           HD2      LYS  19   5.350   5.566  12.812
  144    HD3  LYS  19           HD3      LYS  19   6.376   4.199  13.306
  145    HE2  LYS  19           HE2      LYS  19   5.988   4.782  15.694
  146    HE3  LYS  19           HE3      LYS  19   4.963   6.135  15.200
  147    HZ1  LYS  19           HZ1      LYS  19   3.444   4.528  14.196
  148    HZ2  LYS  19           HZ2      LYS  19   4.392   3.279  14.655
  149    HZ3  LYS  19           HZ3      LYS  19   3.651   4.197  15.776
  150    H    LEU  20           H        LEU  20   8.963   8.438  10.219
  151    HA   LEU  20           HA       LEU  20  10.283   6.704   8.442
  152    HB2  LEU  20           HB2      LEU  20   9.438   9.581   8.312
  153    HB3  LEU  20           HB3      LEU  20  10.487   8.938   7.066
  154    HG   LEU  20           HG       LEU  20   8.181   8.820   6.431
  155   HD11  LEU  20          HD11      LEU  20   8.163   6.630   5.485
  156   HD12  LEU  20          HD12      LEU  20   9.872   7.095   5.644
  157   HD13  LEU  20          HD13      LEU  20   9.143   5.957   6.791
  158   HD21  LEU  20          HD21      LEU  20   7.681   6.765   8.612
  159   HD22  LEU  20          HD22      LEU  20   7.048   8.425   8.582
  160   HD23  LEU  20          HD23      LEU  20   6.548   7.273   7.346
  161    H    LYS  21           H        LYS  21  11.595   9.506  10.262
  162    HA   LYS  21           HA       LYS  21  14.172   9.385   9.007
  163    HB2  LYS  21           HB2      LYS  21  13.252  11.374  10.199
  164    HB3  LYS  21           HB3      LYS  21  13.363  10.508  11.730
  165    HG2  LYS  21           HG2      LYS  21  15.182  12.126  11.406
  166    HG3  LYS  21           HG3      LYS  21  15.796  10.486  11.612
  167    HD2  LYS  21           HD2      LYS  21  16.321  10.284   9.266
  168    HD3  LYS  21           HD3      LYS  21  15.417  11.770   8.870
  169    HE2  LYS  21           HE2      LYS  21  17.031  13.084  10.244
  170    HE3  LYS  21           HE3      LYS  21  17.923  11.605  10.615
  171    HZ1  LYS  21           HZ1      LYS  21  18.411  11.391   8.237
  172    HZ2  LYS  21           HZ2      LYS  21  17.591  12.770   7.908
  173    HZ3  LYS  21           HZ3      LYS  21  18.947  12.820   8.804
  174    H    GLU  22           H        GLU  22  12.732   7.611  11.743
  175    HA   GLU  22           HA       GLU  22  15.258   6.522  12.657
  176    HB2  GLU  22           HB2      GLU  22  13.232   6.682  14.096
  177    HB3  GLU  22           HB3      GLU  22  12.422   5.479  13.084
  178    HG2  GLU  22           HG2      GLU  22  14.158   3.812  13.639
  179    HG3  GLU  22           HG3      GLU  22  15.037   5.019  14.580
  180    H    GLU  23           H        GLU  23  12.597   5.350  10.493
  181    HA   GLU  23           HA       GLU  23  13.737   2.859   9.831
  182    HB2  GLU  23           HB2      GLU  23  11.934   4.720   8.225
  183    HB3  GLU  23           HB3      GLU  23  12.413   3.108   7.684
  184    HG2  GLU  23           HG2      GLU  23  11.413   2.091   9.689
  185    HG3  GLU  23           HG3      GLU  23  10.908   3.681  10.264
  186    H    ALA  24           H        ALA  24  14.282   6.068   8.341
  187    HA   ALA  24           HA       ALA  24  15.954   5.252   6.228
  188    HB1  ALA  24           HB1      ALA  24  14.924   7.522   6.577
  189    HB2  ALA  24           HB2      ALA  24  16.121   7.837   7.846
  190    HB3  ALA  24           HB3      ALA  24  16.653   7.589   6.173
  191    H    LYS  25           H        LYS  25  16.650   5.170   9.604
  192    HA   LYS  25           HA       LYS  25  19.600   4.985   9.115
  193    HB2  LYS  25           HB2      LYS  25  18.012   5.716  11.614
  194    HB3  LYS  25           HB3      LYS  25  19.768   5.520  11.547
  195    HG2  LYS  25           HG2      LYS  25  20.009   7.411  10.040
  196    HG3  LYS  25           HG3      LYS  25  18.266   7.534   9.808
  197    HD2  LYS  25           HD2      LYS  25  18.951   9.289  11.276
  198    HD3  LYS  25           HD3      LYS  25  17.952   8.143  12.176
  199    HE2  LYS  25           HE2      LYS  25  20.006   7.100  13.133
  200    HE3  LYS  25           HE3      LYS  25  21.010   8.221  12.207
  201    HZ1  LYS  25           HZ1      LYS  25  19.096   9.008  14.332
  202    HZ2  LYS  25           HZ2      LYS  25  20.716   8.958  14.484
  203    HZ3  LYS  25           HZ3      LYS  25  20.037  10.043  13.480
  204    H    LYS  26           H        LYS  26  16.705   3.388  10.441
  205    HA   LYS  26           HA       LYS  26  18.142   1.219  11.686
  206    HB2  LYS  26           HB2      LYS  26  15.817   1.987  12.284
  207    HB3  LYS  26           HB3      LYS  26  15.253   1.410  10.715
  208    HG2  LYS  26           HG2      LYS  26  14.670  -0.156  12.470
  209    HG3  LYS  26           HG3      LYS  26  15.792  -0.908  11.337
  210    HD2  LYS  26           HD2      LYS  26  17.659  -0.590  12.948
  211    HD3  LYS  26           HD3      LYS  26  16.586   0.315  14.020
  212    HE2  LYS  26           HE2      LYS  26  16.810  -1.893  14.913
  213    HE3  LYS  26           HE3      LYS  26  15.165  -1.714  14.302
  214    HZ1  LYS  26           HZ1      LYS  26  15.832  -2.981  12.337
  215    HZ2  LYS  26           HZ2      LYS  26  17.370  -3.111  12.888
  216    HZ3  LYS  26           HZ3      LYS  26  16.150  -3.836  13.684
  217    H    ALA  27           H        ALA  27  16.806   1.821   8.431
  218    HA   ALA  27           HA       ALA  27  17.874  -0.806   7.512
  219    HB1  ALA  27           HB1      ALA  27  15.430  -0.953   7.871
  220    HB2  ALA  27           HB2      ALA  27  15.181   0.470   6.838
  221    HB3  ALA  27           HB3      ALA  27  15.819  -1.038   6.147
  222    H    ASN  28           H        ASN  28  17.971  -0.886   5.146
  223    HA   ASN  28           HA       ASN  28  19.679   1.143   4.101
  224    HB2  ASN  28           HB2      ASN  28  19.874  -1.255   3.610
  225    HB3  ASN  28           HB3      ASN  28  18.285  -1.260   2.852
  226   HD21  ASN  28          HD21      ASN  28  18.156  -0.810   0.655
  227   HD22  ASN  28          HD22      ASN  28  19.540  -0.336  -0.313
  228    H    ILE  29           H        ILE  29  16.295   1.199   4.245
  229    HA   ILE  29           HA       ILE  29  15.562   1.919   1.622
  230    HB   ILE  29           HB       ILE  29  13.407   2.555   2.610
  231   HG12  ILE  29          HG12      ILE  29  13.134   2.004   5.137
  232   HG13  ILE  29          HG13      ILE  29  14.848   2.330   5.289
  233   HG21  ILE  29          HG21      ILE  29  14.516   0.104   4.030
  234   HG22  ILE  29          HG22      ILE  29  12.865   0.381   3.515
  235   HG23  ILE  29          HG23      ILE  29  14.112   0.129   2.295
  236   HD11  ILE  29          HD11      ILE  29  13.409   4.272   5.893
  237   HD12  ILE  29          HD12      ILE  29  14.443   4.679   4.531
  238   HD13  ILE  29          HD13      ILE  29  12.730   4.289   4.257
  239    H    ARG  30           H        ARG  30  14.652   4.004   0.855
  240    HA   ARG  30           HA       ARG  30  16.356   6.277   1.788
  241    HB2  ARG  30           HB2      ARG  30  16.034   7.308  -0.317
  242    HB3  ARG  30           HB3      ARG  30  16.622   5.674  -0.599
  243    HG2  ARG  30           HG2      ARG  30  14.393   4.939  -1.306
  244    HG3  ARG  30           HG3      ARG  30  13.688   6.494  -0.830
  245    HD2  ARG  30           HD2      ARG  30  13.921   6.622  -3.174
  246    HD3  ARG  30           HD3      ARG  30  15.212   7.612  -2.519
  247    HE   ARG  30           HE       ARG  30  16.811   6.068  -3.233
  248   HH11  ARG  30          HH22      ARG  30  13.540   4.846  -3.939
  249   HH12  ARG  30          HH21      ARG  30  14.084   3.676  -5.091
  250   HH21  ARG  30          HH11      ARG  30  17.527   4.479  -4.731
  251   HH22  ARG  30          HH12      ARG  30  16.401   3.455  -5.533
  252    H    VAL  31           H        VAL  31  15.397   8.320   1.869
  253    HA   VAL  31           HA       VAL  31  12.467   8.518   2.051
  254    HB   VAL  31           HB       VAL  31  12.620   9.860   4.127
  255   HG11  VAL  31          HG11      VAL  31  12.668   8.029   5.696
  256   HG12  VAL  31          HG12      VAL  31  11.957   7.444   4.185
  257   HG13  VAL  31          HG13      VAL  31  13.629   7.029   4.592
  258   HG21  VAL  31          HG21      VAL  31  14.570   9.692   5.619
  259   HG22  VAL  31          HG22      VAL  31  15.469   8.792   4.382
  260   HG23  VAL  31          HG23      VAL  31  15.006  10.483   4.104
  261    H    THR  32           H        THR  32  11.764  10.661   1.717
  262    HA   THR  32           HA       THR  32  13.716  12.790   1.283
  263    HB   THR  32           HB       THR  32  11.870  11.928  -0.990
  264    HG1  THR  32           HG1      THR  32  14.310  11.101  -0.332
  265   HG21  THR  32          HG21      THR  32  13.133  13.610  -2.330
  266   HG22  THR  32          HG22      THR  32  12.244  14.366  -1.007
  267   HG23  THR  32          HG23      THR  32  14.000  14.120  -0.863
  268    H    PHE  33           H        PHE  33  12.741  14.794   1.596
  269    HA   PHE  33           HA       PHE  33   9.950  14.711   2.663
  270    HB2  PHE  33           HB2      PHE  33  12.372  16.097   3.884
  271    HB3  PHE  33           HB3      PHE  33  10.765  16.008   4.559
  272    HD1  PHE  33           HD1      PHE  33   9.885  13.520   5.077
  273    HD2  PHE  33           HD2      PHE  33  14.030  14.590   4.598
  274    HE1  PHE  33           HE1      PHE  33  10.547  11.531   6.394
  275    HE2  PHE  33           HE2      PHE  33  14.689  12.592   5.914
  276    HZ   PHE  33           HZ       PHE  33  12.955  11.080   6.845
  277    H    TRP  34           H        TRP  34   8.803  16.024   1.294
  278    HA   TRP  34           HA       TRP  34  10.169  18.239  -0.108
  279    HB2  TRP  34           HB2      TRP  34   7.434  16.938  -0.292
  280    HB3  TRP  34           HB3      TRP  34   7.740  18.506  -1.021
  281    HD1  TRP  34           HD1      TRP  34   8.997  18.625  -3.244
  282    HE1  TRP  34           HE1      TRP  34  10.037  16.957  -4.867
  283    HE3  TRP  34           HE3      TRP  34   8.697  14.400  -0.350
  284    HZ2  TRP  34           HZ2      TRP  34  10.701  14.131  -4.904
  285    HZ3  TRP  34           HZ3      TRP  34   9.596  12.262  -1.189
  286    HH2  TRP  34           HH2      TRP  34  10.570  12.097  -3.466
  287    H    GLY  35           H        GLY  35   9.530  20.418   0.060
  288    HA2  GLY  35           HA2      GLY  35   8.349  21.301   2.609
  289    HA3  GLY  35           HA3      GLY  35   9.054  22.312   1.334
  290    H    ASP  36           H        ASP  36   6.514  19.781   1.301
  291    HA   ASP  36           HA       ASP  36   5.006  20.909  -0.810
  292    HB2  ASP  36           HB2      ASP  36   4.838  18.562  -0.288
  293    HB3  ASP  36           HB3      ASP  36   4.241  18.912   1.338
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  16.351  -8.284   1.782
    2    H2   GLY   1           H2       GLY   1  16.249  -8.582   0.172
    3    H3   GLY   1           H3       GLY   1  17.091  -7.282   0.722
    4    HA2  GLY   1           HA2      GLY   1  17.792 -10.101   1.223
    5    HA3  GLY   1           HA3      GLY   1  18.581  -9.058   0.030
    6    H    SER   2           H        SER   2  20.547  -8.342   0.748
    7    HA   SER   2           HA       SER   2  21.344  -8.201   3.490
    8    HB2  SER   2           HB2      SER   2  23.242  -6.826   2.348
    9    HB3  SER   2           HB3      SER   2  23.050  -8.540   1.951
   10    HG   SER   2           HG       SER   2  23.325  -7.237   0.086
   11    H    GLY   3           H        GLY   3  19.634  -5.995   1.375
   12    HA2  GLY   3           HA2      GLY   3  18.987  -4.266   3.622
   13    HA3  GLY   3           HA3      GLY   3  19.802  -3.466   2.260
   14    H    GLN   4           H        GLN   4  17.476  -2.439   2.440
   15    HA   GLN   4           HA       GLN   4  15.794  -3.581   0.327
   16    HB2  GLN   4           HB2      GLN   4  13.767  -3.360   1.680
   17    HB3  GLN   4           HB3      GLN   4  14.838  -4.574   2.352
   18    HG2  GLN   4           HG2      GLN   4  14.472  -1.747   3.458
   19    HG3  GLN   4           HG3      GLN   4  13.693  -3.189   4.066
   20   HE21  GLN   4          HE21      GLN   4  15.098  -4.921   5.049
   21   HE22  GLN   4          HE22      GLN   4  16.604  -4.431   5.784
   22    H    VAL   5           H        VAL   5  14.759  -1.881  -0.832
   23    HA   VAL   5           HA       VAL   5  15.168   0.856   0.214
   24    HB   VAL   5           HB       VAL   5  15.877   0.130  -2.636
   25   HG11  VAL   5          HG11      VAL   5  16.426   2.612  -0.941
   26   HG12  VAL   5          HG12      VAL   5  16.961   2.355  -2.613
   27   HG13  VAL   5          HG13      VAL   5  15.240   2.489  -2.264
   28   HG21  VAL   5          HG21      VAL   5  17.569  -0.976  -1.248
   29   HG22  VAL   5          HG22      VAL   5  18.266   0.463  -1.985
   30   HG23  VAL   5          HG23      VAL   5  17.776   0.501  -0.277
   31    H    ARG   6           H        ARG   6  13.535   2.193  -0.187
   32    HA   ARG   6           HA       ARG   6  11.584   1.853  -2.300
   33    HB2  ARG   6           HB2      ARG   6  10.590   0.459  -0.508
   34    HB3  ARG   6           HB3      ARG   6  10.858   1.738   0.683
   35    HG2  ARG   6           HG2      ARG   6   9.242   3.191  -0.448
   36    HG3  ARG   6           HG3      ARG   6   9.028   1.990  -1.745
   37    HD2  ARG   6           HD2      ARG   6   8.128   0.382  -0.101
   38    HD3  ARG   6           HD3      ARG   6   8.390   1.557   1.206
   39    HE   ARG   6           HE       ARG   6   6.808   2.776  -0.808
   40   HH11  ARG   6          HH22      ARG   6   6.509   0.229   1.649
   41   HH12  ARG   6          HH21      ARG   6   4.809   0.425   1.851
   42   HH21  ARG   6          HH11      ARG   6   4.537   3.035  -0.543
   43   HH22  ARG   6          HH12      ARG   6   3.666   2.058   0.574
   44    H    THR   7           H        THR   7  10.773   4.010  -2.731
   45    HA   THR   7           HA       THR   7  12.036   6.184  -1.140
   46    HB   THR   7           HB       THR   7  10.786   6.353  -3.899
   47    HG1  THR   7           HG1      THR   7  12.545   4.895  -3.889
   48   HG21  THR   7          HG21      THR   7  12.282   8.337  -4.116
   49   HG22  THR   7          HG22      THR   7  11.101   8.541  -2.821
   50   HG23  THR   7          HG23      THR   7  12.785   8.133  -2.422
   51    H    ILE   8           H        ILE   8  10.761   7.820  -0.334
   52    HA   ILE   8           HA       ILE   8   7.867   7.173  -0.025
   53    HB   ILE   8           HB       ILE   8   7.922   8.289   2.065
   54   HG12  ILE   8          HG12      ILE   8  10.672   9.356   1.419
   55   HG13  ILE   8          HG13      ILE   8   9.175  10.289   1.366
   56   HG21  ILE   8          HG21      ILE   8  10.660   6.956   1.982
   57   HG22  ILE   8          HG22      ILE   8   9.504   7.012   3.325
   58   HG23  ILE   8          HG23      ILE   8   9.139   6.026   1.906
   59   HD11  ILE   8          HD11      ILE   8  10.149  10.787   3.490
   60   HD12  ILE   8          HD12      ILE   8   8.731   9.733   3.721
   61   HD13  ILE   8          HD13      ILE   8  10.370   9.070   3.866
   62    H    TRP   9           H        TRP   9   6.492   9.303   0.314
   63    HA   TRP   9           HA       TRP   9   7.539  11.636  -1.093
   64    HB2  TRP   9           HB2      TRP   9   6.106   9.869  -2.619
   65    HB3  TRP   9           HB3      TRP   9   4.820  10.910  -2.081
   66    HD1  TRP   9           HD1      TRP   9   7.426  10.540  -4.604
   67    HE1  TRP   9           HE1      TRP   9   7.708  12.603  -6.071
   68    HE3  TRP   9           HE3      TRP   9   4.883  13.943  -1.719
   69    HZ2  TRP   9           HZ2      TRP   9   6.938  15.395  -6.010
   70    HZ3  TRP   9           HZ3      TRP   9   4.768  16.306  -2.402
   71    HH2  TRP   9           HH2      TRP   9   5.759  17.046  -4.561
   72    H    VAL  10           H        VAL  10   7.354  11.473   1.555
   73    HA   VAL  10           HA       VAL  10   4.658  12.176   2.469
   74    HB   VAL  10           HB       VAL  10   6.377  10.640   3.635
   75   HG11  VAL  10          HG11      VAL  10   7.889  11.631   5.224
   76   HG12  VAL  10          HG12      VAL  10   8.279  12.268   3.611
   77   HG13  VAL  10          HG13      VAL  10   7.392  13.264   4.784
   78   HG21  VAL  10          HG21      VAL  10   4.215  11.324   4.613
   79   HG22  VAL  10          HG22      VAL  10   5.499  11.098   5.803
   80   HG23  VAL  10          HG23      VAL  10   5.005  12.746   5.338
   81    H    GLY  11           H        GLY  11   4.050  14.165   3.292
   82    HA2  GLY  11           HA2      GLY  11   5.439  16.502   2.217
   83    HA3  GLY  11           HA3      GLY  11   3.848  16.449   2.991
   84    H    GLY  12           H        GLY  12   6.922  15.203   4.310
   85    HA2  GLY  12           HA2      GLY  12   8.078  15.642   6.240
   86    HA3  GLY  12           HA3      GLY  12   7.854  17.325   5.740
   87    H    THR  13           H        THR  13   5.388  14.953   6.986
   88    HA   THR  13           HA       THR  13   4.174  16.824   8.715
   89    HB   THR  13           HB       THR  13   4.132  13.815   8.997
   90    HG1  THR  13           HG1      THR  13   2.763  15.360   7.052
   91   HG21  THR  13          HG21      THR  13   1.957  15.915   9.365
   92   HG22  THR  13          HG22      THR  13   1.732  14.155   9.499
   93   HG23  THR  13          HG23      THR  13   2.776  14.998  10.649
   94    HA   PRO  14           HA       PRO  14   7.229  17.004  11.925
   95    HB2  PRO  14           HB3      PRO  14   4.859  16.992  13.809
   96    HB3  PRO  14           HB2      PRO  14   6.324  18.024  13.854
   97    HG2  PRO  14           HG2      PRO  14   4.024  18.991  12.809
   98    HG3  PRO  14           HG3      PRO  14   5.579  19.287  11.964
   99    HD2  PRO  14           HD2      PRO  14   3.442  17.259  11.317
  100    HD3  PRO  14           HD3      PRO  14   4.424  18.278  10.221
  101    H    GLU  15           H        GLU  15   4.749  14.467  12.177
  102    HA   GLU  15           HA       GLU  15   6.345  12.999  14.160
  103    HB2  GLU  15           HB2      GLU  15   3.619  12.450  12.931
  104    HB3  GLU  15           HB3      GLU  15   4.397  11.427  14.140
  105    HG2  GLU  15           HG2      GLU  15   3.608  14.347  14.560
  106    HG3  GLU  15           HG3      GLU  15   2.693  12.950  15.106
  107    H    GLU  16           H        GLU  16   5.604  12.977  10.701
  108    HA   GLU  16           HA       GLU  16   6.610  10.263  10.271
  109    HB2  GLU  16           HB2      GLU  16   6.116  12.576   8.351
  110    HB3  GLU  16           HB3      GLU  16   6.562  10.937   7.871
  111    HG2  GLU  16           HG2      GLU  16   4.067  11.609   9.494
  112    HG3  GLU  16           HG3      GLU  16   4.083  11.491   7.742
  113    H    LEU  17           H        LEU  17   7.845  13.592  10.266
  114    HA   LEU  17           HA       LEU  17  10.540  13.031   9.501
  115    HB2  LEU  17           HB2      LEU  17   9.248  15.184  11.225
  116    HB3  LEU  17           HB3      LEU  17  10.969  15.183  10.875
  117    HG   LEU  17           HG       LEU  17   8.833  15.282   8.708
  118   HD11  LEU  17          HD11      LEU  17  10.490  17.521   9.955
  119   HD12  LEU  17          HD12      LEU  17   9.436  17.682   8.533
  120   HD13  LEU  17          HD13      LEU  17   8.733  17.294  10.107
  121   HD21  LEU  17          HD21      LEU  17  11.844  15.781   8.615
  122   HD22  LEU  17          HD22      LEU  17  10.992  14.406   7.890
  123   HD23  LEU  17          HD23      LEU  17  10.711  16.032   7.272
  124    H    LYS  18           H        LYS  18   8.891  11.782  12.174
  125    HA   LYS  18           HA       LYS  18  11.498  11.345  13.607
  126    HB2  LYS  18           HB2      LYS  18   8.682  11.048  14.739
  127    HB3  LYS  18           HB3      LYS  18  10.202  10.735  15.579
  128    HG2  LYS  18           HG2      LYS  18  10.826  13.138  15.333
  129    HG3  LYS  18           HG3      LYS  18   9.283  13.437  14.516
  130    HD2  LYS  18           HD2      LYS  18   8.096  12.570  16.598
  131    HD3  LYS  18           HD3      LYS  18   9.680  12.473  17.376
  132    HE2  LYS  18           HE2      LYS  18   8.756  14.532  18.088
  133    HE3  LYS  18           HE3      LYS  18   9.982  14.952  16.886
  134    HZ1  LYS  18           HZ1      LYS  18   7.047  14.809  16.413
  135    HZ2  LYS  18           HZ2      LYS  18   7.935  16.185  16.540
  136    HZ3  LYS  18           HZ3      LYS  18   8.142  15.176  15.258
  137    H    LYS  19           H        LYS  19   8.350   9.742  12.822
  138    HA   LYS  19           HA       LYS  19   9.263   7.122  13.345
  139    HB2  LYS  19           HB2      LYS  19   7.099   8.123  11.447
  140    HB3  LYS  19           HB3      LYS  19   7.313   6.432  11.914
  141    HG2  LYS  19           HG2      LYS  19   6.631   6.809  14.149
  142    HG3  LYS  19           HG3      LYS  19   6.942   8.545  14.067
  143    HD2  LYS  19           HD2      LYS  19   4.546   8.165  14.061
  144    HD3  LYS  19           HD3      LYS  19   5.076   8.877  12.535
  145    HE2  LYS  19           HE2      LYS  19   5.139   6.434  11.633
  146    HE3  LYS  19           HE3      LYS  19   4.225   6.002  13.085
  147    HZ1  LYS  19           HZ1      LYS  19   3.438   7.965  11.007
  148    HZ2  LYS  19           HZ2      LYS  19   2.775   6.476  11.209
  149    HZ3  LYS  19           HZ3      LYS  19   2.533   7.624  12.347
  150    H    LEU  20           H        LEU  20   9.120   8.864  10.165
  151    HA   LEU  20           HA       LEU  20  10.208   6.521   8.805
  152    HB2  LEU  20           HB2      LEU  20   9.895   9.344   7.745
  153    HB3  LEU  20           HB3      LEU  20  10.227   7.891   6.813
  154    HG   LEU  20           HG       LEU  20   7.636   8.663   8.209
  155   HD11  LEU  20          HD11      LEU  20   6.696   8.495   5.983
  156   HD12  LEU  20          HD12      LEU  20   8.092   9.582   5.983
  157   HD13  LEU  20          HD13      LEU  20   8.252   7.937   5.327
  158   HD21  LEU  20          HD21      LEU  20   8.330   5.958   6.959
  159   HD22  LEU  20          HD22      LEU  20   7.899   6.254   8.660
  160   HD23  LEU  20          HD23      LEU  20   6.692   6.493   7.398
  161    H    LYS  21           H        LYS  21  11.511   9.514  10.238
  162    HA   LYS  21           HA       LYS  21  14.137   9.215   9.116
  163    HB2  LYS  21           HB2      LYS  21  13.295  11.273  10.233
  164    HB3  LYS  21           HB3      LYS  21  13.292  10.432  11.784
  165    HG2  LYS  21           HG2      LYS  21  15.218  11.897  11.554
  166    HG3  LYS  21           HG3      LYS  21  15.738  10.220  11.718
  167    HD2  LYS  21           HD2      LYS  21  16.317  10.068   9.385
  168    HD3  LYS  21           HD3      LYS  21  15.458  11.587   9.008
  169    HE2  LYS  21           HE2      LYS  21  17.078  12.805  10.501
  170    HE3  LYS  21           HE3      LYS  21  17.969  11.298  10.724
  171    HZ1  LYS  21           HZ1      LYS  21  17.575  12.717   8.147
  172    HZ2  LYS  21           HZ2      LYS  21  18.959  12.647   8.994
  173    HZ3  LYS  21           HZ3      LYS  21  18.369  11.295   8.298
  174    H    GLU  22           H        GLU  22  12.596   7.825  12.077
  175    HA   GLU  22           HA       GLU  22  14.906   6.363  12.891
  176    HB2  GLU  22           HB2      GLU  22  12.816   6.813  14.261
  177    HB3  GLU  22           HB3      GLU  22  11.978   5.611  13.284
  178    HG2  GLU  22           HG2      GLU  22  12.637   4.522  15.282
  179    HG3  GLU  22           HG3      GLU  22  13.689   3.900  14.021
  180    H    GLU  23           H        GLU  23  12.135   5.475  10.734
  181    HA   GLU  23           HA       GLU  23  12.985   2.911  10.035
  182    HB2  GLU  23           HB2      GLU  23  10.799   4.149   9.447
  183    HB3  GLU  23           HB3      GLU  23  11.686   4.826   8.084
  184    HG2  GLU  23           HG2      GLU  23  10.556   2.973   7.203
  185    HG3  GLU  23           HG3      GLU  23  12.215   2.425   7.373
  186    H    ALA  24           H        ALA  24  14.094   6.047   8.692
  187    HA   ALA  24           HA       ALA  24  15.733   4.987   6.636
  188    HB1  ALA  24           HB1      ALA  24  16.218   7.576   8.167
  189    HB2  ALA  24           HB2      ALA  24  16.665   7.197   6.498
  190    HB3  ALA  24           HB3      ALA  24  14.957   7.399   6.937
  191    H    LYS  25           H        LYS  25  16.224   4.833  10.039
  192    HA   LYS  25           HA       LYS  25  19.129   4.180   9.666
  193    HB2  LYS  25           HB2      LYS  25  17.497   5.164  12.027
  194    HB3  LYS  25           HB3      LYS  25  18.895   4.138  12.304
  195    HG2  LYS  25           HG2      LYS  25  19.562   6.419  12.529
  196    HG3  LYS  25           HG3      LYS  25  20.368   5.688  11.142
  197    HD2  LYS  25           HD2      LYS  25  18.837   6.896   9.600
  198    HD3  LYS  25           HD3      LYS  25  17.938   7.534  10.981
  199    HE2  LYS  25           HE2      LYS  25  19.418   9.253  10.187
  200    HE3  LYS  25           HE3      LYS  25  19.983   8.712  11.768
  201    HZ1  LYS  25           HZ1      LYS  25  21.801   8.970  10.192
  202    HZ2  LYS  25           HZ2      LYS  25  21.694   7.409  10.633
  203    HZ3  LYS  25           HZ3      LYS  25  21.152   7.887   9.164
  204    H    LYS  26           H        LYS  26  15.935   2.950  10.711
  205    HA   LYS  26           HA       LYS  26  16.885   0.424  11.710
  206    HB2  LYS  26           HB2      LYS  26  14.682   1.447  12.214
  207    HB3  LYS  26           HB3      LYS  26  14.227   1.268  10.507
  208    HG2  LYS  26           HG2      LYS  26  14.229  -1.129  10.663
  209    HG3  LYS  26           HG3      LYS  26  14.856  -1.090  12.321
  210    HD2  LYS  26           HD2      LYS  26  12.855  -0.307  13.230
  211    HD3  LYS  26           HD3      LYS  26  12.314   0.442  11.735
  212    HE2  LYS  26           HE2      LYS  26  12.382  -2.564  12.242
  213    HE3  LYS  26           HE3      LYS  26  10.962  -1.517  12.354
  214    HZ1  LYS  26           HZ1      LYS  26  11.482  -0.904   9.957
  215    HZ2  LYS  26           HZ2      LYS  26  12.460  -2.214   9.921
  216    HZ3  LYS  26           HZ3      LYS  26  10.870  -2.416  10.223
  217    H    ALA  27           H        ALA  27  15.901   1.598   8.500
  218    HA   ALA  27           HA       ALA  27  16.867  -0.888   7.186
  219    HB1  ALA  27           HB1      ALA  27  14.245   0.634   6.787
  220    HB2  ALA  27           HB2      ALA  27  14.859  -0.588   5.662
  221    HB3  ALA  27           HB3      ALA  27  14.439  -1.048   7.320
  222    H    ASN  28           H        ASN  28  17.249  -0.464   4.859
  223    HA   ASN  28           HA       ASN  28  18.910   1.928   4.628
  224    HB2  ASN  28           HB2      ASN  28  19.511  -0.460   3.900
  225    HB3  ASN  28           HB3      ASN  28  18.390  -0.217   2.551
  226   HD21  ASN  28          HD21      ASN  28  21.133   1.611   4.126
  227   HD22  ASN  28          HD22      ASN  28  21.887   2.043   2.617
  228    H    ILE  29           H        ILE  29  15.716   1.768   4.253
  229    HA   ILE  29           HA       ILE  29  15.194   2.427   1.594
  230    HB   ILE  29           HB       ILE  29  12.953   3.079   2.417
  231   HG12  ILE  29          HG12      ILE  29  12.314   2.469   4.749
  232   HG13  ILE  29          HG13      ILE  29  14.006   2.295   5.186
  233   HG21  ILE  29          HG21      ILE  29  13.559   0.748   1.836
  234   HG22  ILE  29          HG22      ILE  29  14.035   0.460   3.516
  235   HG23  ILE  29          HG23      ILE  29  12.345   0.810   3.108
  236   HD11  ILE  29          HD11      ILE  29  12.961   4.416   5.964
  237   HD12  ILE  29          HD12      ILE  29  14.356   4.694   4.930
  238   HD13  ILE  29          HD13      ILE  29  12.710   4.897   4.269
  239    H    ARG  30           H        ARG  30  14.210   4.395   0.681
  240    HA   ARG  30           HA       ARG  30  16.151   6.569   1.199
  241    HB2  ARG  30           HB2      ARG  30  16.180   5.375  -0.986
  242    HB3  ARG  30           HB3      ARG  30  14.518   5.891  -1.298
  243    HG2  ARG  30           HG2      ARG  30  15.218   8.249  -1.351
  244    HG3  ARG  30           HG3      ARG  30  16.835   7.807  -0.784
  245    HD2  ARG  30           HD2      ARG  30  16.995   8.220  -3.114
  246    HD3  ARG  30           HD3      ARG  30  17.171   6.471  -2.877
  247    HE   ARG  30           HE       ARG  30  14.527   6.651  -3.411
  248   HH11  ARG  30          HH22      ARG  30  17.328   8.017  -5.137
  249   HH12  ARG  30          HH21      ARG  30  16.559   7.961  -6.680
  250   HH21  ARG  30          HH11      ARG  30  13.556   6.556  -5.377
  251   HH22  ARG  30          HH12      ARG  30  14.328   7.110  -6.838
  252    H    VAL  31           H        VAL  31  15.030   7.442   2.944
  253    HA   VAL  31           HA       VAL  31  12.396   8.587   2.573
  254    HB   VAL  31           HB       VAL  31  12.878   9.970   4.521
  255   HG11  VAL  31          HG11      VAL  31  12.835   8.190   6.124
  256   HG12  VAL  31          HG12      VAL  31  11.979   7.627   4.685
  257   HG13  VAL  31          HG13      VAL  31  13.632   7.069   5.003
  258   HG21  VAL  31          HG21      VAL  31  15.610   8.599   4.615
  259   HG22  VAL  31          HG22      VAL  31  15.314  10.328   4.332
  260   HG23  VAL  31          HG23      VAL  31  14.902   9.614   5.890
  261    H    THR  32           H        THR  32  11.818  10.553   1.820
  262    HA   THR  32           HA       THR  32  13.768  12.630   1.154
  263    HB   THR  32           HB       THR  32  11.762  11.605  -0.913
  264    HG1  THR  32           HG1      THR  32  13.408  10.087  -0.686
  265   HG21  THR  32          HG21      THR  32  12.375  13.993  -1.138
  266   HG22  THR  32          HG22      THR  32  14.100  13.564  -1.129
  267   HG23  THR  32          HG23      THR  32  13.051  13.043  -2.468
  268    H    PHE  33           H        PHE  33  12.832  14.450   2.024
  269    HA   PHE  33           HA       PHE  33   9.969  14.232   2.857
  270    HB2  PHE  33           HB2      PHE  33  12.260  15.773   4.132
  271    HB3  PHE  33           HB3      PHE  33  10.624  15.622   4.744
  272    HD1  PHE  33           HD1      PHE  33   9.800  13.147   5.233
  273    HD2  PHE  33           HD2      PHE  33  13.939  14.298   4.952
  274    HE1  PHE  33           HE1      PHE  33  10.422  11.233   6.667
  275    HE2  PHE  33           HE2      PHE  33  14.566  12.345   6.362
  276    HZ   PHE  33           HZ       PHE  33  12.810  10.841   7.260
  277    H    TRP  34           H        TRP  34   8.665  15.504   1.613
  278    HA   TRP  34           HA       TRP  34   9.748  17.929   0.307
  279    HB2  TRP  34           HB2      TRP  34   7.154  16.367   0.156
  280    HB3  TRP  34           HB3      TRP  34   7.215  18.033  -0.382
  281    HD1  TRP  34           HD1      TRP  34   8.301  18.577  -2.640
  282    HE1  TRP  34           HE1      TRP  34   9.414  17.266  -4.520
  283    HE3  TRP  34           HE3      TRP  34   8.632  13.999  -0.342
  284    HZ2  TRP  34           HZ2      TRP  34  10.400  14.573  -4.963
  285    HZ3  TRP  34           HZ3      TRP  34   9.687  12.100  -1.515
  286    HH2  TRP  34           HH2      TRP  34  10.567  12.363  -3.819
  287    H    GLY  35           H        GLY  35   9.071  20.028   0.839
  288    HA2  GLY  35           HA2      GLY  35   8.076  20.540   3.526
  289    HA3  GLY  35           HA3      GLY  35   8.338  21.721   2.225
  290    H    ASP  36           H        ASP  36   6.780  20.595   0.172
  291    HA   ASP  36           HA       ASP  36   4.191  19.702   0.986
  292    HB2  ASP  36           HB2      ASP  36   3.703  22.074   1.335
  293    HB3  ASP  36           HB3      ASP  36   4.509  22.510  -0.174