*HEADER    PROTEIN BINDING                         01-JUL-10   2L0G              
*TITLE     SOLUTION NMR STRUCTURE OF UBIQUITIN-BINDING MOTIF (UBM2) OF HUMAN     
*TITLE    2 POLYMERASE IOTA                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE IOTA;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RAD30 HOMOLOG B, ETA2;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PLASMID;                                   
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PTEV                                      
*KEYWDS    TRANSLESION DNA SYNTHESIS, DNA POLYMERASE IOTA, UBIQUITIN-BINDING     
*KEYWDS   2 MOTIF, PROTEIN BINDING                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.CUI, R.BENIRSCHKE, G.MER                                            
*REVDAT   1   03-NOV-10 2L0G    0                                                


# 517 atoms read from pdb file ubm_amb.pdb.
# 6 SER PHI:  (5 PRO C)-(6 SER N)-(6 SER CA)-(6 SER C) -99.8 -39.8
 &rst     iat =    76,    78,    80,    87,
   r1 = -100.8, r2 = -99.8, r3 = -39.8, r4 = -38.8,
   rk2 =   2.0, rk3 =   2.0,    &end

# 6 SER PSI:  (6 SER N)-(6 SER CA)-(6 SER C)-(7 ASP N) -49.2  10.8
 &rst     iat =    78,    80,    87,    89,
   r1 = -50.2, r2 = -49.2, r3 =  10.8, r4 =  11.8,
 &end

# 8 ILE PHI:  (7 ASP C)-(8 ILE N)-(8 ILE CA)-(8 ILE C) -139.5 -79.5
 &rst     iat =    99,   101,   103,   118,
   r1 = -140.5, r2 = -139.5, r3 = -79.5, r4 = -78.5,
 &end

# 8 ILE PSI:  (8 ILE N)-(8 ILE CA)-(8 ILE C)-(9 ASP N) 109.8 169.8
 &rst     iat =   101,   103,   118,   120,
   r1 = 108.8, r2 = 109.8, r3 = 169.8, r4 = 170.8,
 &end

# 9 ASP PSI:  (9 ASP N)-(9 ASP CA)-(9 ASP C)-(10 PRO N)  99.4 159.4
 &rst     iat =   120,   122,   130,   132,
   r1 =  98.4, r2 =  99.4, r3 = 159.4, r4 = 160.4,
 &end

# 10 PRO PSI:  (10 PRO N)-(10 PRO CA)-(10 PRO C)-(11 GLN N) -64.1  -4.1
 &rst     iat =   132,   142,   144,   146,
   r1 = -65.1, r2 = -64.1, r3 =  -4.1, r4 =  -3.1,
 &end

# 11 GLN PHI:  (10 PRO C)-(11 GLN N)-(11 GLN CA)-(11 GLN C) -93.2 -33.2
 &rst     iat =   144,   146,   148,   161,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 11 GLN PSI:  (11 GLN N)-(11 GLN CA)-(11 GLN C)-(12 VAL N) -65.1  -5.1
 &rst     iat =   146,   148,   161,   163,
   r1 = -66.1, r2 = -65.1, r3 =  -5.1, r4 =  -4.1,
 &end

# 12 VAL PHI:  (11 GLN C)-(12 VAL N)-(12 VAL CA)-(12 VAL C) -99.1 -39.0
 &rst     iat =   161,   163,   165,   177,
   r1 = -100.1, r2 = -99.1, r3 = -39.0, r4 = -38.0,
 &end

# 12 VAL PSI:  (12 VAL N)-(12 VAL CA)-(12 VAL C)-(13 PHE N) -68.3  -8.4
 &rst     iat =   163,   165,   177,   179,
   r1 = -69.3, r2 = -68.3, r3 =  -8.4, r4 =  -7.4,
 &end

# 13 PHE PHI:  (12 VAL C)-(13 PHE N)-(13 PHE CA)-(13 PHE C) -95.3 -35.3
 &rst     iat =   177,   179,   181,   197,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 13 PHE PSI:  (13 PHE N)-(13 PHE CA)-(13 PHE C)-(14 TYR N) -71.0 -11.0
 &rst     iat =   179,   181,   197,   199,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 14 TYR PHI:  (13 PHE C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -100.9 -41.0
 &rst     iat =   197,   199,   201,   218,
   r1 = -101.9, r2 = -100.9, r3 = -41.0, r4 = -40.0,
 &end

# 14 TYR PSI:  (14 TYR N)-(14 TYR CA)-(14 TYR C)-(15 GLU N) -47.1  12.9
 &rst     iat =   199,   201,   218,   220,
   r1 = -48.1, r2 = -47.1, r3 =  12.9, r4 =  13.9,
 &end

# 15 GLU PHI:  (14 TYR C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -129.4 -69.4
 &rst     iat =   218,   220,   222,   233,
   r1 = -130.4, r2 = -129.4, r3 = -69.4, r4 = -68.4,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 LEU N) -40.4  19.6
 &rst     iat =   220,   222,   233,   235,
   r1 = -41.4, r2 = -40.4, r3 =  19.6, r4 =  20.6,
 &end

# 16 LEU PHI:  (15 GLU C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -96.2 -36.2
 &rst     iat =   233,   235,   237,   252,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 PRO N) 110.5 170.5
 &rst     iat =   235,   237,   252,   254,
   r1 = 109.5, r2 = 110.5, r3 = 170.5, r4 = 171.5,
 &end

# 17 PRO PSI:  (17 PRO N)-(17 PRO CA)-(17 PRO C)-(18 GLU N) 114.4 174.4
 &rst     iat =   254,   264,   266,   268,
   r1 = 113.4, r2 = 114.4, r3 = 174.4, r4 = 175.4,
 &end

# 18 GLU PHI:  (17 PRO C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -83.7 -23.7
 &rst     iat =   266,   268,   270,   281,
   r1 = -84.7, r2 = -83.7, r3 = -23.7, r4 = -22.7,
 &end

# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 ALA N) -74.0 -14.0
 &rst     iat =   268,   270,   281,   283,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 19 ALA PHI:  (18 GLU C)-(19 ALA N)-(19 ALA CA)-(19 ALA C) -89.2 -29.2
 &rst     iat =   281,   283,   285,   291,
   r1 = -90.2, r2 = -89.2, r3 = -29.2, r4 = -28.2,
 &end

# 19 ALA PSI:  (19 ALA N)-(19 ALA CA)-(19 ALA C)-(20 VAL N) -70.6 -10.6
 &rst     iat =   283,   285,   291,   293,
   r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
 &end

# 20 VAL PHI:  (19 ALA C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -97.2 -37.2
 &rst     iat =   291,   293,   295,   307,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end

# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 GLN N) -75.5 -15.5
 &rst     iat =   293,   295,   307,   309,
   r1 = -76.5, r2 = -75.5, r3 = -15.5, r4 = -14.5,
 &end

# 21 GLN PHI:  (20 VAL C)-(21 GLN N)-(21 GLN CA)-(21 GLN C) -94.0 -34.0
 &rst     iat =   307,   309,   311,   324,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 21 GLN PSI:  (21 GLN N)-(21 GLN CA)-(21 GLN C)-(22 LYS N) -73.2 -13.2
 &rst     iat =   309,   311,   324,   326,
   r1 = -74.2, r2 = -73.2, r3 = -13.2, r4 = -12.2,
 &end

# 22 LYS PHI:  (21 GLN C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -92.4 -32.4
 &rst     iat =   324,   326,   328,   346,
   r1 = -93.4, r2 = -92.4, r3 = -32.4, r4 = -31.4,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 GLU N) -69.8  -9.8
 &rst     iat =   326,   328,   346,   348,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end

# 23 GLU PHI:  (22 LYS C)-(23 GLU N)-(23 GLU CA)-(23 GLU C) -95.8 -35.8
 &rst     iat =   346,   348,   350,   361,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 23 GLU PSI:  (23 GLU N)-(23 GLU CA)-(23 GLU C)-(24 LEU N) -72.1 -12.1
 &rst     iat =   348,   350,   361,   363,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 24 LEU PHI:  (23 GLU C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -92.9 -32.9
 &rst     iat =   361,   363,   365,   380,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 LEU N) -71.4 -11.4
 &rst     iat =   363,   365,   380,   382,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &end

# 25 LEU PHI:  (24 LEU C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -93.5 -33.5
 &rst     iat =   380,   382,   384,   399,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ALA N) -69.7  -9.7
 &rst     iat =   382,   384,   399,   401,
   r1 = -70.7, r2 = -69.7, r3 =  -9.7, r4 =  -8.7,
 &end

# 26 ALA PHI:  (25 LEU C)-(26 ALA N)-(26 ALA CA)-(26 ALA C) -93.6 -33.6
 &rst     iat =   399,   401,   403,   409,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 26 ALA PSI:  (26 ALA N)-(26 ALA CA)-(26 ALA C)-(27 GLU N) -71.9 -11.9
 &rst     iat =   401,   403,   409,   411,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 27 GLU PHI:  (26 ALA C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -92.1 -32.1
 &rst     iat =   409,   411,   413,   424,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 TRP N) -72.1 -12.1
 &rst     iat =   411,   413,   424,   426,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 28 TRP PHI:  (27 GLU C)-(28 TRP N)-(28 TRP CA)-(28 TRP C) -100.2 -40.2
 &rst     iat =   424,   426,   428,   448,
   r1 = -101.2, r2 = -100.2, r3 = -40.2, r4 = -39.2,
 &end

# 28 TRP PSI:  (28 TRP N)-(28 TRP CA)-(28 TRP C)-(29 LYS N) -61.8  -1.8
 &rst     iat =   426,   428,   448,   450,
   r1 = -62.8, r2 = -61.8, r3 =  -1.8, r4 =  -0.8,
 &end

# 29 LYS PHI:  (28 TRP C)-(29 LYS N)-(29 LYS CA)-(29 LYS C) -106.3 -46.3
 &rst     iat =   448,   450,   452,   470,
   r1 = -107.3, r2 = -106.3, r3 = -46.3, r4 = -45.3,
 &end

# 29 LYS PSI:  (29 LYS N)-(29 LYS CA)-(29 LYS C)-(30 ARG N) -56.2   3.8
 &rst     iat =   450,   452,   470,   472,
   r1 = -57.2, r2 = -56.2, r3 =   3.8, r4 =   4.8,
 &end

# 30 ARG PHI:  (29 LYS C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -107.6 -47.6
 &rst     iat =   470,   472,   474,   494,
   r1 = -108.6, r2 = -107.6, r3 = -47.6, r4 = -46.6,
 &end

# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 THR N) -62.3  -2.3
 &rst     iat =   472,   474,   494,   496,
   r1 = -63.3, r2 = -62.3, r3 =  -2.3, r4 =  -1.3,
 &end

#
#   14 TYR  HN            0 AMB  65-1:0      4.50    (#      0:65  Single Ambig)
 &rst
  ixpk= 0, nxpk= 65, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 217, 208,
 &end
#
#   21 GLN  HE2+         14 TYR  HD1         3.50    (#      1:65  Unique         2.46, 3.51 A)
 &rst
  ixpk= 1, nxpk= 65, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#   14 TYR  HA           14 TYR  HD1         2.80    (#      2:65  Unique         1.96, 1.96 A)
 &rst
  ixpk= 2, nxpk= 65, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 GLN  HA           14 TYR  HD2         4.50    (#      3:65  Unique         2.90, 3.00 A)
 &rst
  ixpk= 3, nxpk= 65, iat= 149, 217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  65-3:4        0 AMB  65-1:4      5.50    (#      4:65  Double Ambig)
 &rst
  ixpk= 4, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 143, 134, 135,
 igr2= 217, 208,
 &end
#
#    0 AMB  65-3:5        0 AMB  65-1:5      3.50    (#      5:65  Double Ambig)
 &rst
  ixpk= 5, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 204, 205, 204, 205,
 igr2= 217, 208,
 &end
#
#   14 TYR  HB-           0 AMB  65-1:6      2.80    (#      6:65  Single Ambig)
 &rst
  ixpk= 6, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 204, 205,
 igr2= 217, 208,
 &end
#
#   10 PRO  HB+          14 TYR  HD2         4.50    (#      7:65  Unique         2.70, 3.40 A)
 &rst
  ixpk= 7, nxpk= 65, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 140, 141,
 &end
#
#    8 ILE  QD1           4 PHE  HD2         4.50    (#      9:65  Unique         1.98, 2.78 A)
 &rst
  ixpk= 9, nxpk= 65, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#    0 AMB  65-3:10       0 AMB  65-1:10     4.50    (#     10:65  Double Ambig)
 &rst
  ixpk= 10, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  49,  50,  49,  50,
 igr2=  53,  61,
 &end
#
#    4 PHE  HB-           0 AMB  65-1:11     3.50    (#     11:65  Single Ambig)
 &rst
  ixpk= 11, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  49,  50,
 igr2=  53,  61,
 &end
#
#    0 AMB  65-3:12       0 AMB  65-1:12     5.50    (#     12:65  Double Ambig)
 &rst
  ixpk= 12, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 184, 185, 184, 185, 184, 185,
 igr2= 194, 190,
 &end
#
#    4 PHE  HA            4 PHE  HD2         4.50    (#     13:65  Unique         2.15, 2.18 A)
 &rst
  ixpk= 13, nxpk= 65, iat=  47,  61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HZ3           4 PHE  HD2         4.50    (#     14:65  Unique         2.66, 2.78 A)
 &rst
  ixpk= 14, nxpk= 65, iat= 444,  61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  65-3:15      13 PHE  HD1         3.50    (#     15:65  Single Ambig)
 &rst
  ixpk= 15, nxpk= 65, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 116, 117, 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  65-3:16       0 AMB  65-1:16     3.50    (#     16:65  Double Ambig)
 &rst
  ixpk= 16, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 184, 185, 184, 185, 184, 185,
 igr2= 196, 188,
 &end
#
#   13 PHE  HA            0 AMB  65-1:17     4.50    (#     17:65  Single Ambig)
 &rst
  ixpk= 17, nxpk= 65, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 188, 196,
 &end
#
#    4 PHE  HN            0 AMB  65-1:18     5.50    (#     18:65  Single Ambig)
 &rst
  ixpk= 18, nxpk= 65, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  53,  61,
 &end
#
#    0 AMB  65-3:19      13 PHE  HE1         3.50    (#     19:65  Single Ambig)
 &rst
  ixpk= 19, nxpk= 65, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 373, 374, 375, 377, 378, 379, 115, 116, 117,
 &end
#
#   24 LEU  HB+          13 PHE  HE1         4.50    (#     20:65  Unique         2.03, 2.48 A)
 &rst
  ixpk= 20, nxpk= 65, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 368, 369,
 &end
#
#    0 AMB  65-3:21      13 PHE  HE2         4.50    (#     21:65  Single Ambig)
 &rst
  ixpk= 21, nxpk= 65, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 390, 317, 318,
 &end
#
#   21 GLN  HA            0 AMB  65-1:22     5.50    (#     22:65  Single Ambig)
 &rst
  ixpk= 22, nxpk= 65, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 194, 190,
 &end
#
#    0 AMB  65-3:23       0 AMB  65-1:23     5.50    (#     23:65  Double Ambig)
 &rst
  ixpk= 23, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 385, 182,
 igr2= 194, 190,
 &end
#
#   24 LEU  HB+          13 PHE  HZ          4.50    (#     25:65  Unique         1.99, 2.16 A)
 &rst
  ixpk= 25, nxpk= 65, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 368, 369,
 &end
#
#    0 AMB  65-3:26      13 PHE  HZ          3.50    (#     26:65  Single Ambig)
 &rst
  ixpk= 26, nxpk= 65, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 390, 317, 318,
 &end
#
#    0 AMB  65-3:27      13 PHE  HZ          4.50    (#     27:65  Single Ambig)
 &rst
  ixpk= 27, nxpk= 65, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 314, 315, 353, 354, 416, 417,
 &end
#
#   21 GLN  HA           13 PHE  HZ          4.50    (#     28:65  Unique         2.73, 2.84 A)
 &rst
  ixpk= 28, nxpk= 65, iat= 312, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HN           13 PHE  HZ          5.50    (#     29:65  Unique         2.49, 2.75 A)
 &rst
  ixpk= 29, nxpk= 65, iat= 383, 192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 TRP  HE1          28 TRP  HD1         3.50    (#     30:65  Unique         2.57, 2.57 A)
 &rst
  ixpk= 30, nxpk= 65, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  65-3:31      28 TRP  HD1         5.50    (#     31:65  Single Ambig)
 &rst
  ixpk= 31, nxpk= 65, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#    0 AMB  65-3:32      28 TRP  HD1         5.50    (#     32:65  Single Ambig)
 &rst
  ixpk= 32, nxpk= 65, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 419, 420, 419, 420,
 &end
#
#    0 AMB  65-3:33      28 TRP  HD1         3.50    (#     33:65  Single Ambig)
 &rst
  ixpk= 33, nxpk= 65, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#   28 TRP  HA           28 TRP  HD1         3.50    (#     34:65  Unique         2.06, 2.15 A)
 &rst
  ixpk= 34, nxpk= 65, iat= 429, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HN           28 TRP  HD1         4.50    (#     35:65  Unique         3.59, 3.78 A)
 &rst
  ixpk= 35, nxpk= 65, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  65-3:36      28 TRP  HH2         3.50    (#     36:65  Single Ambig)
 &rst
  ixpk= 36, nxpk= 65, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 115, 116, 117, 373, 374, 375, 377, 378, 379, 373,
       374, 375, 377, 378, 379,
 &end
#
#    0 AMB  65-3:37      28 TRP  HD1         4.50    (#     37:65  Single Ambig)
 &rst
  ixpk= 37, nxpk= 65, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 416, 417, 416, 417,  72,  73,
 &end
#
#   24 LEU  HB+          28 TRP  HH2         5.50    (#     38:65  Unique         3.03, 4.28 A)
 &rst
  ixpk= 38, nxpk= 65, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
#    0 AMB  65-3:39      28 TRP  HH2         5.50    (#     39:65  Single Ambig)
 &rst
  ixpk= 39, nxpk= 65, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 184, 185, 184, 185,  49,  50,
 &end
#
#    0 AMB  65-3:40      28 TRP  HZ3         4.50    (#     40:65  Single Ambig)
 &rst
  ixpk= 40, nxpk= 65, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 392, 393, 394, 396, 397, 398, 373, 374, 375, 377,
       378, 379,
 &end
#
#   25 LEU  HA           28 TRP  HE3         4.50    (#     41:65  Unique         2.05, 2.74 A)
 &rst
  ixpk= 41, nxpk= 65, iat= 385, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HE3          28 TRP  HZ3         5.50    (#     42:65  Unique         2.46, 2.46 A)
 &rst
  ixpk= 42, nxpk= 65, iat= 446, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  65-3:43       0 AMB  65-1:43     4.50    (#     43:65  Double Ambig)
 &rst
  ixpk= 43, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41, 137, 138,
 igr2= 210, 215,
 &end
#
#   14 TYR  HA            0 AMB  65-1:44     5.50    (#     44:65  Single Ambig)
 &rst
  ixpk= 44, nxpk= 65, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 210, 215,
 &end
#
#   28 TRP  HE1          28 TRP  HZ2         4.50    (#     45:65  Unique         2.82, 2.82 A)
 &rst
  ixpk= 45, nxpk= 65, iat= 437, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  65-3:46      28 TRP  HZ2         3.50    (#     46:65  Single Ambig)
 &rst
  ixpk= 46, nxpk= 65, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379, 115, 116, 117,
 &end
#
#    0 AMB  65-3:47      28 TRP  HZ2         5.50    (#     47:65  Single Ambig)
 &rst
  ixpk= 47, nxpk= 65, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  72,  73, 106,
 &end
#
#   10 PRO  HB-          14 TYR  HD2         4.50    (#     48:65  Unique         2.70, 3.40 A)
 &rst
  ixpk= 48, nxpk= 65, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 140, 141,
 &end
#
#   10 PRO  HA            0 AMB  65-1:49     5.50    (#     49:65  Single Ambig)
 &rst
  ixpk= 49, nxpk= 65, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  53,  61,
 &end
#
#   14 TYR  HN            0 AMB  65-1:50     5.50    (#     50:65  Single Ambig)
 &rst
  ixpk= 50, nxpk= 65, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 196, 188,
 &end
#
#   14 TYR  HA           13 PHE  HD2         5.50    (#     51:65  Unique         3.42, 3.54 A)
 &rst
  ixpk= 51, nxpk= 65, iat= 202, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  65-3:52       0 AMB  65-1:52     5.50    (#     52:65  Double Ambig)
 &rst
  ixpk= 52, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 240, 241, 368, 369, 240, 241,
 igr2= 196, 188,
 &end
#
#   25 LEU  QD-          13 PHE  HE2         4.50    (#     53:65  Unique         2.52, 3.74 A)
 &rst
  ixpk= 53, nxpk= 65, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#    8 ILE  QD1           4 PHE  HE2         4.50    (#     54:65  Unique         2.60, 3.03 A)
 &rst
  ixpk= 54, nxpk= 65, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#   10 PRO  HG+           4 PHE  HE1         5.50    (#     55:65  Unique         6.11, 6.43 A)
 &rst
  ixpk= 55, nxpk= 65, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 138,
 &end
#
#    0 AMB  65-3:56       0 AMB  65-1:56     4.50    (#     56:65  Double Ambig)
 &rst
  ixpk= 56, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 184, 185, 184, 185,
 igr2=  59,  55,
 &end
#
#   10 PRO  HA            4 PHE  HE1         5.50    (#     57:65  Unique         3.13, 3.25 A)
 &rst
  ixpk= 57, nxpk= 65, iat= 143,  55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  QD+          28 TRP  HE3         4.50    (#     58:65  Unique         2.25, 5.09 A)
 &rst
  ixpk= 58, nxpk= 65, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  65-3:59      28 TRP  HE3         5.50    (#     59:65  Single Ambig)
 &rst
  ixpk= 59, nxpk= 65, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 387, 388,  69,  70,  69,  70,
 &end
#
#    0 AMB  65-3:60      28 TRP  HE3         3.50    (#     60:65  Single Ambig)
 &rst
  ixpk= 60, nxpk= 65, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  65-3:61      14 TYR  HE2         5.50    (#     61:65  Single Ambig)
 &rst
  ixpk= 61, nxpk= 65, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 143, 134, 135,
 &end
#
#   25 LEU  QD-          14 TYR  HE1         5.50    (#     62:65  Unique         5.51, 7.10 A)
 &rst
  ixpk= 62, nxpk= 65, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  65-3:63       0 AMB  65-1:63     5.50    (#     63:65  Double Ambig)
 &rst
  ixpk= 63, nxpk= 65, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 204, 205, 204, 205,
 igr2= 215, 210,
 &end
#
#    0 AMB  65-3:64      28 TRP  HH2         5.50    (#     64:65  Single Ambig)
 &rst
  ixpk= 64, nxpk= 65, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 385, 182,
 &end
#
#    0 AMB  65-3:65      28 TRP  HE3         7.00    (#     65:65  Single Ambig)
 &rst
  ixpk= 65, nxpk= 65, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 390, 455, 456, 455, 456,  32,  33,
 &end
#
#   13 PHE  HB+           4 PHE  HZ          5.50    (#     66:65  Unique         2.49, 3.08 A)
 &rst
  ixpk= 66, nxpk= 65, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 185,
 &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 = 100., rk3=100.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,25,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 3 atoms:  CB SD HG2 HG3
 &rst iat=31,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=27,42,30,31, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,62,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=74,68,72,73, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=71,65,69,70, &end
#
#  chirality for residue 5 atoms:  CG N HD2 HD3
 &rst iat=68,64,66,67, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=64,76,75,71, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=80,85,83,84, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=78,87,81,82, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=91,96,94,95, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=89,99,92,93, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=103,107,111,106, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=105,114,112,113, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=101,118,104,105, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=122,127,125,126, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=120,130,123,124, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=142,136,140,141, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=139,133,137,138, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=136,132,134,135, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=132,144,143,139, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=148,153,151,152, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=150,156,154,155, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=146,161,149,150, &end
#
#  chirality for residue 12 atoms:  CA CG1 CG2 HB
 &rst iat=165,169,173,168, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=163,177,166,167, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=181,186,184,185, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=179,197,182,183, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=201,206,204,205, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=199,218,202,203, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=224,230,228,229, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=220,233,223,224, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=237,242,240,241, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=239,244,248,243, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=235,252,238,239, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=264,258,262,263, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=261,255,259,260, &end
#
#  chirality for residue 17 atoms:  CG N HD2 HD3
 &rst iat=258,254,256,257, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=254,266,265,261, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=270,275,273,274, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=272,278,276,277, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=268,281,271,272, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=283,291,286,287, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=295,299,303,298, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=293,307,296,297, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=311,316,314,315, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=313,319,317,318, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=309,324,312,313, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=330,336,334,335, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=336,342,340,341, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=333,339,337,338, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=326,346,329,330, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=350,355,353,354, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=352,358,356,357, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=348,361,351,352, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 24 atoms:  CB CD1 CD2 HG
 &rst iat=367,372,376,371, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=363,380,366,367, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=386,391,395,390, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=382,399,385,386, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=401,409,404,405, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=411,424,414,415, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=426,448,429,430, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=454,460,458,459, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=460,466,464,465, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=457,463,461,462, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=450,470,453,454, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=474,479,477,478, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=476,482,480,481, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=479,485,483,484, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=472,494,475,476, &end
#
#  chirality for residue 31 atoms:  CA CG2 OG1 HB
 &rst iat=498,502,506,501, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=496,508,499,500, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=510,515,513,514, &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=29,27,25,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,29, &end
#
#  trans-omega constraint for residue 5
 &rst iat=74,64,62,46, &end
#
#  trans-omega constraint for residue 6
 &rst iat=80,78,76,74, &end
#
#  trans-omega constraint for residue 7
 &rst iat=91,89,87,80, &end
#
#  trans-omega constraint for residue 8
 &rst iat=103,101,99,91, &end
#
#  trans-omega constraint for residue 9
 &rst iat=122,120,118,103, &end
#
#  trans-omega constraint for residue 10
 &rst iat=142,132,130,122, &end
#
#  trans-omega constraint for residue 11
 &rst iat=148,146,144,142, &end
#
#  trans-omega constraint for residue 12
 &rst iat=165,163,161,148, &end
#
#  trans-omega constraint for residue 13
 &rst iat=181,179,177,165, &end
#
#  trans-omega constraint for residue 14
 &rst iat=201,199,197,181, &end
#
#  trans-omega constraint for residue 15
 &rst iat=222,220,218,201, &end
#
#  trans-omega constraint for residue 16
 &rst iat=237,235,233,222, &end
#
#  trans-omega constraint for residue 17
 &rst iat=264,254,252,237, &end
#
#  trans-omega constraint for residue 18
 &rst iat=270,268,266,264, &end
#
#  trans-omega constraint for residue 19
 &rst iat=285,283,281,270, &end
#
#  trans-omega constraint for residue 20
 &rst iat=295,293,291,285, &end
#
#  trans-omega constraint for residue 21
 &rst iat=311,309,307,295, &end
#
#  trans-omega constraint for residue 22
 &rst iat=328,326,324,311, &end
#
#  trans-omega constraint for residue 23
 &rst iat=350,348,346,328, &end
#
#  trans-omega constraint for residue 24
 &rst iat=365,363,361,350, &end
#
#  trans-omega constraint for residue 25
 &rst iat=384,382,380,365, &end
#
#  trans-omega constraint for residue 26
 &rst iat=403,401,399,384, &end
#
#  trans-omega constraint for residue 27
 &rst iat=413,411,409,403, &end
#
#  trans-omega constraint for residue 28
 &rst iat=428,426,424,413, &end
#
#  trans-omega constraint for residue 29
 &rst iat=452,450,448,428, &end
#
#  trans-omega constraint for residue 30
 &rst iat=474,472,470,452, &end
#
#  trans-omega constraint for residue 31
 &rst iat=498,496,494,474, &end
#
#  trans-omega constraint for residue 32
 &rst iat=512,510,508,498, &end
#
#    0 AMB  25-3:0        4 PHE  HA          2.80    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  66,  67,  49,  50,
 &end
#
#    5 PRO  HD+           4 PHE  HA          2.80    (#      1:25  Unique         2.33, 2.41 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  66,  67,
 &end
#
#    4 PHE  HD2           4 PHE  HA          4.50    (#      2:25  Unique         2.15, 2.18 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  61,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 PHE  HN            4 PHE  HA          3.50    (#      3:25  Unique         2.81, 2.92 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  45,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ILE  QD1           4 PHE  HB+         4.50    (#      4:25  Unique         3.78, 5.06 A)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 115, 116, 117,
 igr2=  49,  50,
 &end
#
#    0 AMB  25-3:5        0 AMB  25-1:5      5.50    (#      5:25  Double Ambig)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  72,  73, 106,
 igr2=  49,  50,  49,  50,
 &end
#
#    0 AMB  25-3:6        0 AMB  25-1:6      5.50    (#      6:25  Double Ambig)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  39,  40,  41,  72,  73,
 igr2=  49,  50,  49,  50,
 &end
#
#    5 PRO  HD+           4 PHE  HB+         4.50    (#      7:25  Unique         2.03, 3.46 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67,
 igr2=  49,  50,
 &end
#
#    4 PHE  HA            4 PHE  HB+         3.50    (#      8:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    0 AMB  25-3:9        0 AMB  25-1:9      3.50    (#      9:25  Double Ambig)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  53,  61,
 igr2=  49,  50,  49,  50,
 &end
#
#    4 PHE  HN            4 PHE  HB+         3.50    (#     10:25  Unique         2.21, 2.93 A)
 &rst
  ixpk= 10, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    0 AMB  25-3:11       0 AMB  25-1:11     4.50    (#     11:25  Double Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 igr2= 184, 185, 184, 185,
 &end
#
#    8 ILE  HB            0 AMB  25-1:12     4.50    (#     12:25  Single Ambig)
 &rst
  ixpk= 12, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:13       0 AMB  25-1:13     4.50    (#     13:25  Double Ambig)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1=  72,  73, 140, 141, 140, 141, 140, 141, 137, 138,
       137, 138, 151, 152,
 igr2=  49,  50, 184, 185, 184, 185, 184, 185, 184, 185,
      
 &end
#
#   12 VAL  HB            0 AMB  25-1:14     5.50    (#     14:25  Single Ambig)
 &rst
  ixpk= 14, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 184, 185, 184, 185,
 &end
#
#    3 MET  HG+           4 PHE  HB-         5.50    (#     15:25  Unique         3.28, 5.95 A)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  35,  36,
 igr2=  49,  50,
 &end
#
#    5 PRO  HD+           4 PHE  HB-         3.50    (#     16:25  Unique         2.03, 3.46 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  66,  67,
 igr2=  49,  50,
 &end
#
#    0 AMB  25-3:17       0 AMB  25-1:17     4.50    (#     17:25  Double Ambig)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  83,  84, 166, 134, 135, 134, 135,
 igr2=  49,  50, 184, 185, 184, 185,
 &end
#
#    4 PHE  HA            4 PHE  HB-         3.50    (#     18:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    9 ASP  HA            0 AMB  25-1:19     5.50    (#     19:25  Single Ambig)
 &rst
  ixpk= 19, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 184, 185, 184, 185,  49,  50,
 &end
#
#   14 TYR  HA            0 AMB  25-1:20     5.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:21       0 AMB  25-1:21     3.50    (#     21:25  Double Ambig)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  53,  61,  59,  55,
 igr2=  49,  50, 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:22       0 AMB  25-1:22     3.50    (#     22:25  Double Ambig)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  59,  55,  61,
 igr2= 184, 185, 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:24       0 AMB  25-1:24     4.50    (#     24:25  Double Ambig)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 208, 322, 323, 217,
 igr2= 184, 185, 184, 185, 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:25       3 MET  HA          3.50    (#     25:25  Single Ambig)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  32,  33,  32,  33,
 &end
#
#    3 MET  HG-           3 MET  HA          4.50    (#     26:25  Unique         2.41, 3.07 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  35,  36,
 &end
#
#    4 PHE  HN            3 MET  HA          3.50    (#     27:25  Unique         2.42, 3.34 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  45,  30, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 LYS  HD-           0 AMB  25-1:28     2.80    (#     28:25  Single Ambig)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 337, 338,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:29       0 AMB  25-1:29     2.80    (#     29:25  Double Ambig)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 337, 338, 337, 338, 334, 335, 334, 335, 334, 335,
      
 igr2= 331, 332, 331, 332, 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:30       0 AMB  25-1:30     3.50    (#     30:25  Double Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  35,  36,  35,  36, 356, 357,
 igr2=  32,  33,  32,  33, 331, 332,
 &end
#
#    0 AMB  25-3:31       0 AMB  25-1:31     4.50    (#     31:25  Double Ambig)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 340, 341, 340, 341, 340, 341,
 igr2= 331, 332, 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:32       0 AMB  25-1:32     4.50    (#     32:25  Double Ambig)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
 igr1= 271,   6,   7,   6,   7,   6,   7, 296,
 igr2= 331, 332, 331, 332,  32,  33,  32,  33,  32,  33,
       331, 332,
 &end
#
#   22 LYS  HA            0 AMB  25-1:33     2.80    (#     33:25  Single Ambig)
 &rst
  ixpk= 33, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:34       0 AMB  25-1:34     3.50    (#     34:25  Double Ambig)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 286, 351,
 igr2= 331, 332, 331, 332,
 &end
#
#   23 GLU  HN            0 AMB  25-1:35     3.50    (#     35:25  Single Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 331, 332, 331, 332,
 &end
#
#   22 LYS  HN            0 AMB  25-1:36     2.80    (#     36:25  Single Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:37       0 AMB  25-1:37     3.50    (#     37:25  Double Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  32,  33,  32,  33,
 igr2=  35,  36,  35,  36,
 &end
#
#    3 MET  HA            3 MET  HG+         4.50    (#     38:25  Unique         2.41, 3.07 A)
 &rst
  ixpk= 38, nxpk= 25, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  35,  36,
 &end
#
#    4 PHE  HN            3 MET  HG+         5.50    (#     39:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    3 MET  HA            3 MET  HG-         4.50    (#     40:25  Unique         2.41, 3.07 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  35,  36,
 &end
#
#    6 SER  HN            6 SER  HB+         4.50    (#     41:25  Unique         3.14, 3.68 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  83,  84,
 &end
#
#    7 ASP  HN            6 SER  HB+         5.50    (#     42:25  Unique         3.88, 4.14 A)
 &rst
  ixpk= 42, nxpk= 25, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  83,  84,
 &end
#
#    6 SER  HA            6 SER  HB-         2.80    (#     43:25  Unique         2.32, 2.78 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  83,  84,
 &end
#
#    6 SER  HN            6 SER  HB-         4.50    (#     44:25  Unique         3.14, 3.68 A)
 &rst
  ixpk= 44, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  83,  84,
 &end
#
#    7 ASP  HN            6 SER  HB-         5.50    (#     45:25  Unique         3.88, 4.14 A)
 &rst
  ixpk= 45, nxpk= 25, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  83,  84,
 &end
#
#    6 SER  HA            6 SER  HB+         2.80    (#     46:25  Unique         2.32, 2.78 A)
 &rst
  ixpk= 46, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  83,  84,
 &end
#
#    8 ILE  QG2           8 ILE  HA          3.50    (#     47:25  Unique         2.09, 2.89 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 108, 109, 110,
 &end
#
#    8 ILE  HG1-          8 ILE  HA          3.50    (#     48:25  Unique         3.57, 3.67 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    8 ILE  HG1+          8 ILE  HA          3.50    (#     49:25  Unique         3.57, 3.67 A)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    8 ILE  HB            8 ILE  HA          3.50    (#     50:25  Unique         2.59, 2.60 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:51       8 ILE  HA          5.50    (#     51:25  Single Ambig)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 125, 126,  94,  95,
 &end
#
#    0 AMB  25-3:52       8 ILE  HA          5.50    (#     52:25  Single Ambig)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 125, 126, 184, 185, 184, 185,  66,  67,
 &end
#
#    0 AMB  25-3:53      14 TYR  HA          2.80    (#     53:25  Single Ambig)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 208, 322, 323,
 &end
#
#    9 ASP  HN            8 ILE  HA          2.80    (#     54:25  Unique         2.14, 2.14 A)
 &rst
  ixpk= 54, nxpk= 25, iat= 121, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:55       8 ILE  HB          2.80    (#     55:25  Single Ambig)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 108, 109, 110, 115, 116, 117,
 &end
#
#    8 ILE  HG1-          8 ILE  HB          3.50    (#     56:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    8 ILE  HG1+          8 ILE  HB          3.50    (#     57:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    0 AMB  25-3:58       8 ILE  HB          4.50    (#     58:25  Single Ambig)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126,  49,  50,  94,  95,
 &end
#
#    0 AMB  25-3:59       8 ILE  HB          3.50    (#     59:25  Single Ambig)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 184, 185, 184, 185,
 &end
#
#    8 ILE  HA            8 ILE  HB          3.50    (#     60:25  Unique         2.59, 2.60 A)
 &rst
  ixpk= 60, nxpk= 25, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 PHE  HD1           8 ILE  HB          5.50    (#     61:25  Unique         3.37, 3.42 A)
 &rst
  ixpk= 61, nxpk= 25, iat= 188, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:62       8 ILE  HB          5.50    (#     62:25  Single Ambig)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442,  57,
 &end
#
#    0 AMB  25-3:63       8 ILE  HB          4.50    (#     63:25  Single Ambig)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  61,  59,  53,
 &end
#
#    8 ILE  HN            8 ILE  HB          3.50    (#     64:25  Unique         3.63, 3.63 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HN            8 ILE  HB          4.50    (#     65:25  Unique         3.44, 3.46 A)
 &rst
  ixpk= 65, nxpk= 25, iat= 121, 106, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:66       0 AMB  25-1:66     2.80    (#     66:25  Double Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 108, 109, 110, 115, 116, 117,
 igr2= 112, 113, 112, 113,
 &end
#
#    8 ILE  HB            8 ILE  HG1+        3.50    (#     67:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 67, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#   12 VAL  HB            8 ILE  HG1+        5.50    (#     68:25  Unique         5.95, 6.25 A)
 &rst
  ixpk= 68, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:69       0 AMB  25-1:69     5.50    (#     69:25  Double Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  49,  50,  94,  95,
 igr2= 112, 113, 112, 113,
 &end
#
#    0 AMB  25-3:70       0 AMB  25-1:70     4.50    (#     70:25  Double Ambig)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  66,  67,  49,  50,
 igr2= 112, 113, 112, 113,
 &end
#
#    8 ILE  HA            8 ILE  HG1+        3.50    (#     71:25  Unique         3.57, 3.67 A)
 &rst
  ixpk= 71, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#    8 ILE  HN            8 ILE  HG1+        4.50    (#     72:25  Unique         1.97, 2.23 A)
 &rst
  ixpk= 72, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#    9 ASP  HN            8 ILE  HG1+        4.50    (#     73:25  Unique         4.68, 5.08 A)
 &rst
  ixpk= 73, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:74       8 ILE  HG1-        2.80    (#     74:25  Single Ambig)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 108, 109, 110, 115, 116, 117,
 igr2= 112, 113,
 &end
#
#    8 ILE  HB            8 ILE  HG1-        3.50    (#     75:25  Unique         2.65, 2.82 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#   12 VAL  HB            8 ILE  HG1-        5.50    (#     76:25  Unique         5.95, 6.25 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:77       8 ILE  HG1-        4.50    (#     77:25  Single Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  66,  67,  49,  50,
 igr2= 112, 113,
 &end
#
#    8 ILE  HA            8 ILE  HG1-        3.50    (#     78:25  Unique         3.57, 3.67 A)
 &rst
  ixpk= 78, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#    8 ILE  HN            8 ILE  HG1-        4.50    (#     79:25  Unique         1.97, 2.23 A)
 &rst
  ixpk= 79, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#    9 ASP  HN            8 ILE  HG1-        4.50    (#     80:25  Unique         4.68, 5.08 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 112, 113,
 &end
#
#   13 PHE  HN            8 ILE  HG1-        7.00    (#     81:25  Unique         5.69, 6.14 A)
 &rst
  ixpk= 81, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 112, 113,
 &end
#
#    7 ASP  HN            8 ILE  HG1-        7.00    (#     82:25  Unique         3.30, 3.42 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:83       8 ILE  HG1-        5.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  49,  50,  94,  95,
 igr2= 112, 113,
 &end
#
#    8 ILE  HG1-          8 ILE  QG2         3.50    (#     84:25  Unique         2.08, 3.36 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 112, 113,
 igr2= 108, 109, 110,
 &end
#
#    8 ILE  HG1+          8 ILE  QG2         3.50    (#     85:25  Unique         2.08, 3.36 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 112, 113,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:86       8 ILE  QG2         4.50    (#     86:25  Single Ambig)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  69,  70,  69,  70,
 igr2= 108, 109, 110,
 &end
#
#    8 ILE  HB            8 ILE  QG2         2.80    (#     87:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 87, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    5 PRO  HB+           8 ILE  QG2         4.50    (#     88:25  Unique         5.45, 6.62 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  72,  73,
 igr2= 108, 109, 110,
 &end
#
#   12 VAL  HB            8 ILE  QG2         4.50    (#     89:25  Unique         4.38, 5.21 A)
 &rst
  ixpk= 89, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:90       8 ILE  QG2         4.50    (#     90:25  Single Ambig)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  94,  95, 125, 126,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:91       8 ILE  QG2         3.50    (#     91:25  Single Ambig)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 184, 185, 184, 185,  66,  67, 125, 126,
 igr2= 108, 109, 110,
 &end
#
#   13 PHE  HA            8 ILE  QG2         4.50    (#     92:25  Unique         5.14, 6.08 A)
 &rst
  ixpk= 92, nxpk= 25, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    8 ILE  HA            8 ILE  QG2         3.50    (#     93:25  Unique         2.09, 2.89 A)
 &rst
  ixpk= 93, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:94       8 ILE  QG2         4.50    (#     94:25  Single Ambig)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 188, 444,
 igr2= 108, 109, 110,
 &end
#
#   28 TRP  HH2           8 ILE  QG2         4.50    (#     95:25  Unique         3.09, 4.30 A)
 &rst
  ixpk= 95, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:96       8 ILE  QG2         4.50    (#     96:25  Single Ambig)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  61,  59,
 igr2= 108, 109, 110,
 &end
#
#   13 PHE  HE1           8 ILE  QG2         5.50    (#     97:25  Unique         5.18, 5.85 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 108, 109, 110,
 &end
#
#   28 TRP  HZ2           8 ILE  QG2         4.50    (#     98:25  Unique         4.06, 5.14 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#   13 PHE  HN            8 ILE  QG2         4.50    (#     99:25  Unique         5.09, 5.89 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    9 ASP  HN            8 ILE  QG2         4.50    (#    100:25  Unique         4.04, 4.67 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#    8 ILE  HG1-          8 ILE  QD1         2.80    (#    101:25  Unique         2.34, 2.62 A)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 112, 113,
 igr2= 115, 116, 117,
 &end
#
#    8 ILE  HG1+          8 ILE  QD1         2.80    (#    102:25  Unique         2.34, 2.62 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 112, 113,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:103      8 ILE  QD1         4.50    (#    103:25  Single Ambig)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  69,  70,  69,  70,
 igr2= 115, 116, 117,
 &end
#
#   24 LEU  HG            8 ILE  QD1         4.50    (#    104:25  Unique         5.00, 5.81 A)
 &rst
  ixpk= 104, nxpk= 25, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    8 ILE  HB            8 ILE  QD1         3.50    (#    105:25  Unique         2.54, 2.95 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 115, 116, 117,
 &end
#
#   16 LEU  HG            8 ILE  QD1         5.50    (#    106:25  Unique         6.30, 6.90 A)
 &rst
  ixpk= 106, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#    5 PRO  HB+           8 ILE  QD1         5.50    (#    107:25  Unique         5.07, 6.08 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  72,  73,
 igr2= 115, 116, 117,
 &end
#
#   12 VAL  HB            8 ILE  QD1         5.50    (#    108:25  Unique         5.32, 5.99 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:109      8 ILE  QD1         5.50    (#    109:25  Single Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  49,  50,  94,  95,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:110      8 ILE  QD1         3.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67, 184, 185, 184, 185,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:111      8 ILE  QD1         5.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 143,
 igr2= 115, 116, 117,
 &end
#
#    8 ILE  HA            8 ILE  QD1         4.50    (#    112:25  Unique         4.81, 5.06 A)
 &rst
  ixpk= 112, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:113      8 ILE  QD1         4.50    (#    113:25  Single Ambig)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 188, 444,
 igr2= 115, 116, 117,
 &end
#
#   28 TRP  HH2           8 ILE  QD1         5.50    (#    114:25  Unique         2.00, 2.60 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:115      8 ILE  QD1         4.50    (#    115:25  Single Ambig)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  61,  59,
 igr2= 115, 116, 117,
 &end
#
#   13 PHE  HE1           8 ILE  QD1         5.50    (#    116:25  Unique         3.10, 3.70 A)
 &rst
  ixpk= 116, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#   28 TRP  HZ2           8 ILE  QD1         4.50    (#    117:25  Unique         3.57, 4.65 A)
 &rst
  ixpk= 117, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    9 ASP  HN            8 ILE  QD1         5.50    (#    118:25  Unique         5.55, 6.12 A)
 &rst
  ixpk= 118, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 115, 116, 117,
 &end
#
#    8 ILE  QD1          10 PRO  HA          5.50    (#    119:25  Unique         5.14, 6.24 A)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 115, 116, 117,
 &end
#
#   10 PRO  HG-          10 PRO  HA          4.50    (#    120:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 137, 138,
 &end
#
#   10 PRO  HB-          10 PRO  HA          3.50    (#    121:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 140, 141,
 &end
#
#   10 PRO  HB+          10 PRO  HA          3.50    (#    122:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 140, 141,
 &end
#
#    0 AMB  25-3:123     10 PRO  HA          3.50    (#    123:25  Single Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:124     10 PRO  HA          5.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 196, 188,
 &end
#
#    0 AMB  25-3:125     10 PRO  HA          4.50    (#    125:25  Single Ambig)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  53,
 &end
#
#   12 VAL  HN           10 PRO  HA          4.50    (#    126:25  Unique         4.46, 4.48 A)
 &rst
  ixpk= 126, nxpk= 25, iat= 164, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 PHE  HN           10 PRO  HA          4.50    (#    127:25  Unique         4.00, 4.01 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 180, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 GLN  HN           10 PRO  HA          4.50    (#    128:25  Unique         3.56, 3.56 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 147, 143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:129     20 VAL  HB          4.50    (#    129:25  Single Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 247, 249, 250, 251, 368, 369,
 &end
#
#    0 AMB  25-3:130      0 AMB  25-1:130    3.50    (#    130:25  Double Ambig)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
       378, 379, 115, 116, 117,
 igr2= 298,  72,  73,
 &end
#
#   20 VAL  QG-          20 VAL  HB          2.80    (#    131:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:132      0 AMB  25-1:132    2.80    (#    132:25  Double Ambig)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    5 PRO  HD-           5 PRO  HB+         4.50    (#    133:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#   17 PRO  HD-          20 VAL  HB          3.50    (#    134:25  Unique         2.10, 3.04 A)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 256, 257,
 &end
#
#   20 VAL  HA           20 VAL  HB          3.50    (#    135:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 135, nxpk= 25, iat= 296, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PRO  HA            5 PRO  HB+         3.50    (#    136:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  72,  73,
 &end
#
#    0 AMB  25-3:137     20 VAL  HB          4.50    (#    137:25  Single Ambig)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 238, 265,
 &end
#
#   20 VAL  HN           20 VAL  HB          3.50    (#    138:25  Unique         2.44, 2.51 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 GLN  HN           20 VAL  HB          3.50    (#    139:25  Unique         2.67, 2.81 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 310, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLN  HN           11 GLN  HA          3.50    (#    140:25  Unique         2.82, 2.82 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:141      0 AMB  25-1:141    4.50    (#    141:25  Double Ambig)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 200, 497,
 igr2= 149, 414,
 &end
#
#   14 TYR  HB+          11 GLN  HA          4.50    (#    142:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 204, 205,
 &end
#
#   14 TYR  HB-          11 GLN  HA          4.50    (#    143:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 204, 205,
 &end
#
#   11 GLN  HG-          11 GLN  HA          3.50    (#    144:25  Unique         2.41, 2.69 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    0 AMB  25-3:145      0 AMB  25-1:145    2.80    (#    145:25  Double Ambig)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 353, 354, 353, 354, 151, 152, 151, 152,
 igr2= 351, 149,
 &end
#
#    0 AMB  25-3:146      0 AMB  25-1:146    4.50    (#    146:25  Double Ambig)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
       175, 176,
 igr2= 151, 152, 151, 152,
 &end
#
#    0 AMB  25-3:147      0 AMB  25-1:147    3.50    (#    147:25  Double Ambig)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 317, 318, 170, 171, 172, 174, 175, 176,
 igr2= 314, 315, 151, 152, 151, 152,
 &end
#
#    0 AMB  25-3:148     21 GLN  HB-         4.50    (#    148:25  Single Ambig)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 240, 241, 368, 369, 334, 335, 334, 335,
 igr2= 314, 315,
 &end
#
#   11 GLN  HG-           0 AMB  25-1:149    2.80    (#    149:25  Single Ambig)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 154, 155,
 igr2= 151, 152, 151, 152,
 &end
#
#   21 GLN  HA           21 GLN  HB-         4.50    (#    150:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 150, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 314, 315,
 &end
#
#    0 AMB  25-3:151      0 AMB  25-1:151    3.50    (#    151:25  Double Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 271, 166,
 igr2= 314, 315, 151, 152,
 &end
#
#   11 GLN  HA            0 AMB  25-1:152    3.50    (#    152:25  Single Ambig)
 &rst
  ixpk= 152, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 151, 152, 151, 152,
 &end
#
#    0 AMB  25-3:153     21 GLN  HB-         4.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 194, 192,
 igr2= 314, 315,
 &end
#
#   12 VAL  HN            0 AMB  25-1:154    3.50    (#    154:25  Single Ambig)
 &rst
  ixpk= 154, nxpk= 25, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 151, 152, 151, 152,
 &end
#
#   21 GLN  HN           21 GLN  HB-         3.50    (#    155:25  Unique         2.08, 2.84 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 314, 315,
 &end
#
#   22 LYS  HN           21 GLN  HB-         3.50    (#    156:25  Unique         2.63, 3.07 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 314, 315,
 &end
#
#   11 GLN  HN            0 AMB  25-1:157    2.80    (#    157:25  Single Ambig)
 &rst
  ixpk= 157, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 151, 152, 151, 152,
 &end
#
#   11 GLN  HN           11 GLN  HG+         4.50    (#    158:25  Unique         1.97, 3.48 A)
 &rst
  ixpk= 158, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#   11 GLN  HN           11 GLN  HG-         4.50    (#    159:25  Unique         1.97, 3.48 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#   11 GLN  HE2-         11 GLN  HG+         4.50    (#    160:25  Unique         2.34, 3.38 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 159, 160,
 igr2= 154, 155,
 &end
#
#   11 GLN  HE2-         11 GLN  HG-         4.50    (#    161:25  Unique         2.34, 3.38 A)
 &rst
  ixpk= 161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 159, 160,
 igr2= 154, 155,
 &end
#
#   11 GLN  HE2+         11 GLN  HG+         5.50    (#    162:25  Unique         2.34, 3.38 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 159, 160,
 igr2= 154, 155,
 &end
#
#   11 GLN  HE2+         11 GLN  HG-         5.50    (#    163:25  Unique         2.34, 3.38 A)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 159, 160,
 igr2= 154, 155,
 &end
#
#   11 GLN  HA           11 GLN  HG+         4.50    (#    164:25  Unique         2.41, 2.69 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#   11 GLN  HA           11 GLN  HG-         4.50    (#    165:25  Unique         2.41, 2.69 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 154, 155,
 &end
#
#   10 PRO  HD+          11 GLN  HG-         5.50    (#    166:25  Unique         3.18, 6.25 A)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 134, 135,
 igr2= 154, 155,
 &end
#
#   14 TYR  HB-          11 GLN  HG-         5.50    (#    167:25  Unique         4.43, 5.42 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 204, 205,
 igr2= 154, 155,
 &end
#
#    0 AMB  25-3:168     11 GLN  HG-         2.80    (#    168:25  Single Ambig)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 151, 152, 151, 152,
 igr2= 154, 155,
 &end
#
#    0 AMB  25-3:169      0 AMB  25-1:169    2.80    (#    169:25  Double Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 151, 152, 151, 152,
 igr2= 154, 155, 154, 155,
 &end
#
#   12 VAL  QG-          11 GLN  HG+         5.50    (#    170:25  Unique         2.52, 7.67 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171, 172, 174, 175, 176,
 igr2= 154, 155,
 &end
#
#   12 VAL  QG-          11 GLN  HG-         5.50    (#    171:25  Unique         2.52, 7.67 A)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171, 172, 174, 175, 176,
 igr2= 154, 155,
 &end
#
#    0 AMB  25-3:172      0 AMB  25-1:172    3.50    (#    172:25  Double Ambig)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306,
 igr2= 166, 296,
 &end
#
#   20 VAL  QG-          20 VAL  HA          2.80    (#    173:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   19 ALA  QB           20 VAL  HA          4.50    (#    174:25  Unique         3.73, 4.69 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 288, 289, 290,
 &end
#
#    0 AMB  25-3:175     20 VAL  HA          5.50    (#    175:25  Single Ambig)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 368, 369, 371, 240, 241,
 &end
#
#    0 AMB  25-3:176     20 VAL  HA          5.50    (#    176:25  Single Ambig)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:177     20 VAL  HA          3.50    (#    177:25  Single Ambig)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 353, 354, 353, 354,
 &end
#
#    0 AMB  25-3:178      0 AMB  25-1:178    4.50    (#    178:25  Double Ambig)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 225, 226, 298,
 igr2= 166, 296,
 &end
#
#    0 AMB  25-3:179     12 VAL  HA          3.50    (#    179:25  Single Ambig)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 225, 226, 168,
 &end
#
#    0 AMB  25-3:180     20 VAL  HA          4.50    (#    180:25  Single Ambig)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 286, 351,
 &end
#
#   19 ALA  HA           20 VAL  HA          4.50    (#    181:25  Unique         4.79, 4.79 A)
 &rst
  ixpk= 181, nxpk= 25, iat= 286, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:182     12 VAL  HA          5.50    (#    182:25  Single Ambig)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 223, 202,
 &end
#
#   20 VAL  HN           20 VAL  HA          3.50    (#    183:25  Unique         2.75, 2.77 A)
 &rst
  ixpk= 183, nxpk= 25, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  HN           12 VAL  HA          3.50    (#    184:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 184, nxpk= 25, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HN           20 VAL  HA          4.50    (#    185:25  Unique         3.56, 3.61 A)
 &rst
  ixpk= 185, nxpk= 25, iat= 349, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HN           20 VAL  HA          4.50    (#    186:25  Unique         3.48, 3.51 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 310, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  HN           20 VAL  HA          4.50    (#    187:25  Unique         3.78, 3.84 A)
 &rst
  ixpk= 187, nxpk= 25, iat= 364, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:188     12 VAL  HB          4.50    (#    188:25  Single Ambig)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 108, 109, 110, 115, 116, 117,
 &end
#
#   12 VAL  QG+          12 VAL  HB          2.80    (#    189:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#   12 VAL  QG-          12 VAL  HB          2.80    (#    190:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#    8 ILE  HG1+         12 VAL  HB          5.50    (#    191:25  Unique         5.95, 6.25 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 112, 113,
 &end
#
#    8 ILE  HB           12 VAL  HB          4.50    (#    192:25  Unique         3.56, 3.58 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 106, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ASP  HB-          12 VAL  HB          4.50    (#    193:25  Unique         2.93, 3.60 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 125, 126,
 &end
#
#    0 AMB  25-3:194     12 VAL  HB          3.50    (#    194:25  Single Ambig)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 125, 126, 184, 185, 184, 185,
 &end
#
#   12 VAL  HA           12 VAL  HB          3.50    (#    195:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HA           12 VAL  HB          5.50    (#    196:25  Unique         4.83, 4.92 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 123, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 VAL  HN           12 VAL  HB          3.50    (#    197:25  Unique         2.57, 2.64 A)
 &rst
  ixpk= 197, nxpk= 25, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 PHE  HN           12 VAL  HB          3.50    (#    198:25  Unique         2.10, 2.12 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 180, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HN           12 VAL  HB          4.50    (#    199:25  Unique         3.40, 3.46 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 121, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 LEU  QD+          12 VAL  QG+         3.50    (#    200:25  Unique         3.25, 6.83 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  25-3:201      0 AMB  25-1:201    4.50    (#    201:25  Double Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 243, 225, 226,
 igr2= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
       175, 176,
 &end
#
#   12 VAL  HB           12 VAL  QG+         2.80    (#    202:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 202, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    9 ASP  HB+          12 VAL  QG+         4.50    (#    203:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 125, 126,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#   12 VAL  HA           12 VAL  QG+         3.50    (#    204:25  Unique         2.44, 3.11 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  25-3:205      0 AMB  25-1:205    4.50    (#    205:25  Double Ambig)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 182, 134, 135,
 igr2= 170, 171, 172, 174, 175, 176, 170, 171, 172, 174,
       175, 176,
 &end
#
#   12 VAL  HN           12 VAL  QG+         4.50    (#    206:25  Unique         1.94, 3.69 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#   13 PHE  HN           12 VAL  QG+         4.50    (#    207:25  Unique         3.19, 4.19 A)
 &rst
  ixpk= 207, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#   21 GLN  HN           20 VAL  QG-         4.50    (#    208:25  Unique         3.42, 4.62 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  HN           20 VAL  QG-         4.50    (#    209:25  Unique         2.10, 3.78 A)
 &rst
  ixpk= 209, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  HA           20 VAL  QG-         3.50    (#    210:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 210, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 PRO  HD-          20 VAL  QG-         4.50    (#    211:25  Unique         2.45, 4.51 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 256, 257,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  HB           20 VAL  QG-         2.80    (#    212:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 212, nxpk= 25, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   24 LEU  HG           20 VAL  QG-         3.50    (#    213:25  Unique         2.69, 4.83 A)
 &rst
  ixpk= 213, nxpk= 25, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:214     20 VAL  QG-         2.80    (#    214:25  Single Ambig)
 &rst
  ixpk= 214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
       378, 379,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   16 LEU  QD+          13 PHE  HA          3.50    (#    215:25  Unique         2.05, 3.57 A)
 &rst
  ixpk= 215, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  QD-          13 PHE  HA          3.50    (#    216:25  Unique         2.05, 3.57 A)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HB+          13 PHE  HA          4.50    (#    217:25  Unique         3.58, 4.10 A)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 240, 241,
 &end
#
#   16 LEU  HG           13 PHE  HA          3.50    (#    218:25  Unique         1.99, 2.01 A)
 &rst
  ixpk= 218, nxpk= 25, iat= 243, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:219     13 PHE  HA          2.80    (#    219:25  Single Ambig)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:220     13 PHE  HA          3.50    (#    220:25  Single Ambig)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 188, 196,
 &end
#
#    0 AMB  25-3:221     13 PHE  HA          4.50    (#    221:25  Single Ambig)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 221,
 &end
#
#   13 PHE  HN           13 PHE  HA          3.50    (#    222:25  Unique         2.78, 2.78 A)
 &rst
  ixpk= 222, nxpk= 25, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 PHE  HN            0 AMB  25-1:223    2.80    (#    223:25  Single Ambig)
 &rst
  ixpk= 223, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:224      0 AMB  25-1:224    4.50    (#    224:25  Double Ambig)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 102,
 igr2= 184, 185, 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:225      0 AMB  25-1:225    4.50    (#    225:25  Double Ambig)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 194, 190, 192,
 igr2= 184, 185, 184, 185, 184, 185,
 &end
#
#    4 PHE  HZ            0 AMB  25-1:226    4.50    (#    226:25  Single Ambig)
 &rst
  ixpk= 226, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:227      0 AMB  25-1:227    2.80    (#    227:25  Double Ambig)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 196, 188,
 igr2= 184, 185, 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:228      0 AMB  25-1:228    2.80    (#    228:25  Double Ambig)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 182, 143,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  25-3:229      0 AMB  25-1:229    4.50    (#    229:25  Double Ambig)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 243, 317, 318, 317, 318, 140, 141,
 igr2= 184, 185, 184, 185, 184, 185, 184, 185,  49,  50,
      
 &end
#
#    8 ILE  QD1           0 AMB  25-1:230    3.50    (#    230:25  Single Ambig)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 115, 116, 117,
 igr2= 184, 185, 184, 185,
 &end
#
#   14 TYR  HB-          14 TYR  HA          3.50    (#    231:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 204, 205,
 &end
#
#   14 TYR  HB+          14 TYR  HA          3.50    (#    232:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 204, 205,
 &end
#
#    0 AMB  25-3:233     14 TYR  HA          3.50    (#    233:25  Single Ambig)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 322, 323, 196,
 &end
#
#    0 AMB  25-3:234     14 TYR  HA          2.80    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 208, 322, 323,
 &end
#
#    0 AMB  25-3:235     14 TYR  HA          3.50    (#    235:25  Single Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 236,
 &end
#
#   14 TYR  HN           14 TYR  HA          3.50    (#    236:25  Unique         2.78, 2.78 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 TYR  HN           14 TYR  HB+         3.50    (#    237:25  Unique         2.23, 2.90 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#   15 GLU  HN           14 TYR  HB+         4.50    (#    238:25  Unique         2.92, 3.24 A)
 &rst
  ixpk= 238, nxpk= 25, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:239      0 AMB  25-1:239    3.50    (#    239:25  Double Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 217, 208,
 igr2= 204, 205, 204, 205,
 &end
#
#    0 AMB  25-3:240      0 AMB  25-1:240    5.50    (#    240:25  Double Ambig)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 215, 210,  57,
 igr2= 204, 205, 204, 205, 204, 205,
 &end
#
#    0 AMB  25-3:241      0 AMB  25-1:241    5.50    (#    241:25  Double Ambig)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323, 196,
 igr2= 204, 205, 204, 205,
 &end
#
#   14 TYR  HA           14 TYR  HB+         3.50    (#    243:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 243, nxpk= 25, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#   11 GLN  HA           14 TYR  HB+         4.50    (#    244:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:245      0 AMB  25-1:245    5.50    (#    245:25  Double Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 154, 155, 228, 229, 228, 229,
 igr2= 204, 205, 204, 205, 204, 205,
 &end
#
#    0 AMB  25-3:246     14 TYR  HB-         5.50    (#    246:25  Single Ambig)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 228, 229, 228, 229,
 igr2= 204, 205,
 &end
#
#   10 PRO  HA           14 TYR  HB-         5.50    (#    247:25  Unique         4.66, 5.43 A)
 &rst
  ixpk= 247, nxpk= 25, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#   11 GLN  HA           14 TYR  HB-         4.50    (#    248:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 248, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#   14 TYR  HA           14 TYR  HB-         3.50    (#    249:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:250     14 TYR  HB-         5.50    (#    250:25  Single Ambig)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 322, 323, 196,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:251     14 TYR  HB-         5.50    (#    251:25  Single Ambig)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 215, 210,  57,
 igr2= 204, 205,
 &end
#
#    4 PHE  HE1          14 TYR  HB-         5.50    (#    252:25  Unique         6.23, 6.70 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:253     14 TYR  HB-         2.80    (#    253:25  Single Ambig)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 217, 208,
 igr2= 204, 205,
 &end
#
#   15 GLU  HN           14 TYR  HB-         4.50    (#    254:25  Unique         2.92, 3.24 A)
 &rst
  ixpk= 254, nxpk= 25, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 204, 205,
 &end
#
#   14 TYR  HN           14 TYR  HB-         3.50    (#    255:25  Unique         2.23, 2.90 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#    0 AMB  25-3:256     15 GLU  HA          3.50    (#    256:25  Single Ambig)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 236,
 &end
#
#   15 GLU  HB+          15 GLU  HA          3.50    (#    257:25  Unique         2.25, 2.80 A)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 225, 226,
 &end
#
#   15 GLU  HB-          15 GLU  HA          3.50    (#    258:25  Unique         2.25, 2.80 A)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 225, 226,
 &end
#
#   16 LEU  QD+          16 LEU  HA          5.50    (#    259:25  Unique         1.99, 3.79 A)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  QD-          16 LEU  HA          2.80    (#    260:25  Unique         1.99, 3.79 A)
 &rst
  ixpk= 260, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HB-          16 LEU  HA          3.50    (#    261:25  Unique         2.41, 2.71 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#   16 LEU  HB+          16 LEU  HA          3.50    (#    262:25  Unique         2.41, 2.71 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#    0 AMB  25-3:263     16 LEU  HA          3.50    (#    263:25  Single Ambig)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 243, 317, 318,
 &end
#
#    0 AMB  25-3:264     16 LEU  HA          4.50    (#    264:25  Single Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 259, 260, 259, 260,
 &end
#
#   17 PRO  HD-          16 LEU  HA          2.80    (#    265:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 256, 257,
 &end
#
#   17 PRO  HD+          16 LEU  HA          2.80    (#    266:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 266, nxpk= 25, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 256, 257,
 &end
#
#   16 LEU  HN           16 LEU  HA          3.50    (#    267:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 267, nxpk= 25, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HN           16 LEU  HB-         4.50    (#    268:25  Unique         2.53, 3.07 A)
 &rst
  ixpk= 268, nxpk= 25, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 240, 241,
 &end
#
#   21 GLN  HN           16 LEU  HB-         5.50    (#    269:25  Unique         3.75, 4.13 A)
 &rst
  ixpk= 269, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 240, 241,
 &end
#
#   21 GLN  HE2-         16 LEU  HB-         5.50    (#    270:25  Unique         2.97, 5.09 A)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 322, 323,
 igr2= 240, 241,
 &end
#
#   20 VAL  HN           16 LEU  HB-         5.50    (#    271:25  Unique         4.51, 5.21 A)
 &rst
  ixpk= 271, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 240, 241,
 &end
#
#   16 LEU  HA           16 LEU  HB-         3.50    (#    272:25  Unique         2.41, 2.71 A)
 &rst
  ixpk= 272, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#   17 PRO  HD+          16 LEU  HB-         3.50    (#    273:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 256, 257,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:274     16 LEU  HB-         7.00    (#    274:25  Single Ambig)
 &rst
  ixpk= 274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 296, 271, 166,
 igr2= 240, 241,
 &end
#
#   21 GLN  HA           16 LEU  HB-         5.50    (#    275:25  Unique         3.90, 4.31 A)
 &rst
  ixpk= 275, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 240, 241,
 &end
#
#   17 PRO  HD-          16 LEU  HB-         3.50    (#    276:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 256, 257,
 igr2= 240, 241,
 &end
#
#   20 VAL  HB           16 LEU  HB-         3.50    (#    278:25  Unique         2.23, 3.06 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:279     16 LEU  HB-         3.50    (#    279:25  Single Ambig)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 317, 318, 243,
 igr2= 240, 241,
 &end
#
#   16 LEU  QD-          16 LEU  HB-         3.50    (#    280:25  Unique         2.31, 3.29 A)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 240, 241,
 &end
#
#   16 LEU  QD+          16 LEU  HB-         3.50    (#    281:25  Unique         2.31, 3.29 A)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:282      0 AMB  25-1:282    2.80    (#    282:25  Double Ambig)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 317, 318, 243,
 igr2= 240, 241, 240, 241,
 &end
#
#   14 TYR  HB-          16 LEU  HB+         5.50    (#    283:25  Unique         6.73, 7.53 A)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 204, 205,
 igr2= 240, 241,
 &end
#
#   17 PRO  HD-          16 LEU  HB+         4.50    (#    284:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 256, 257,
 igr2= 240, 241,
 &end
#
#   21 GLN  HA            0 AMB  25-1:285    4.50    (#    285:25  Single Ambig)
 &rst
  ixpk= 285, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 368, 369, 240, 241,
 &end
#
#   24 LEU  HA           24 LEU  HB+         3.50    (#    286:25  Unique         2.63, 2.81 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   17 PRO  HD+          16 LEU  HB+         4.50    (#    287:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 256, 257,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:288      0 AMB  25-1:288    5.50    (#    288:25  Double Ambig)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 202, 223,
 igr2= 240, 241, 240, 241,
 &end
#
#   16 LEU  HA           16 LEU  HB+         3.50    (#    289:25  Unique         2.41, 2.71 A)
 &rst
  ixpk= 289, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:290      0 AMB  25-1:290    4.50    (#    290:25  Double Ambig)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 444, 322, 323, 196,
 igr2= 368, 369, 240, 241, 240, 241,
 &end
#
#   28 TRP  HH2          24 LEU  HB+         5.50    (#    291:25  Unique         3.03, 4.28 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:292      0 AMB  25-1:292    3.50    (#    292:25  Double Ambig)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 192, 190,
 igr2= 368, 369, 368, 369,
 &end
#
#    0 AMB  25-3:293      0 AMB  25-1:293    4.50    (#    293:25  Double Ambig)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 294,  59,  61,
 igr2= 240, 241, 368, 369, 368, 369, 368, 369,
 &end
#
#    0 AMB  25-3:294      0 AMB  25-1:294    4.50    (#    294:25  Double Ambig)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 322, 323, 440,
 igr2= 240, 241, 368, 369,
 &end
#
#   16 LEU  HN           16 LEU  HB+         3.50    (#    295:25  Unique         2.53, 3.07 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#    0 AMB  25-3:296      0 AMB  25-1:296    4.50    (#    296:25  Double Ambig)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 310, 412,
 igr2= 240, 241, 368, 369, 368, 369,
 &end
#
#   24 LEU  HN           24 LEU  HB+         3.50    (#    297:25  Unique         2.21, 2.88 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   16 LEU  HN           16 LEU  HG          3.50    (#    298:25  Unique         2.21, 2.25 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 236, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HA           16 LEU  HG          4.50    (#    299:25  Unique         3.25, 3.29 A)
 &rst
  ixpk= 299, nxpk= 25, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 PHE  HA           16 LEU  HG          3.50    (#    300:25  Unique         1.99, 2.01 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 182, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  HA           16 LEU  HG          5.50    (#    301:25  Unique         4.83, 4.90 A)
 &rst
  ixpk= 301, nxpk= 25, iat= 166, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HB-          16 LEU  HG          4.50    (#    302:25  Unique         2.41, 2.72 A)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 240, 241,
 &end
#
#   16 LEU  QD-          16 LEU  HG          3.50    (#    303:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 303, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:304      0 AMB  25-1:304    2.80    (#    304:25  Double Ambig)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 300, 301, 302, 304, 305, 306, 170, 171, 172, 174,
       175, 176,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#    0 AMB  25-3:305      0 AMB  25-1:305    3.50    (#    305:25  Double Ambig)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 240, 241, 317, 318,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   16 LEU  HB+          16 LEU  QD+         3.50    (#    306:25  Unique         2.31, 3.29 A)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 240, 241,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HG           16 LEU  QD+         2.80    (#    307:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 307, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:308      0 AMB  25-1:308    4.50    (#    308:25  Double Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 184, 185, 184, 185,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   17 PRO  HD-          16 LEU  QD+         5.50    (#    309:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 256, 257,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   21 GLN  HA           16 LEU  QD+         5.50    (#    310:25  Unique         3.41, 5.88 A)
 &rst
  ixpk= 310, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:311      0 AMB  25-1:311    3.50    (#    311:25  Double Ambig)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 182, 256, 257,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#    0 AMB  25-3:312      0 AMB  25-1:312    5.50    (#    312:25  Double Ambig)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 223, 202,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   16 LEU  HA           16 LEU  QD+         4.50    (#    313:25  Unique         1.99, 3.79 A)
 &rst
  ixpk= 313, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:314      0 AMB  25-1:314    4.50    (#    314:25  Double Ambig)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 188, 196,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#    0 AMB  25-3:315      0 AMB  25-1:315    5.50    (#    315:25  Double Ambig)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  59, 294,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#    0 AMB  25-3:316      0 AMB  25-1:316    5.50    (#    316:25  Double Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 190, 192, 194,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251, 245, 246, 247, 249, 250, 251,
 &end
#
#   21 GLN  HE2-         16 LEU  QD+         5.50    (#    317:25  Unique         4.64, 7.50 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:318      0 AMB  25-1:318    4.50    (#    318:25  Double Ambig)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 236, 221,
 igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
       250, 251,
 &end
#
#   13 PHE  HN           16 LEU  QD+         5.50    (#    319:25  Unique         4.55, 5.88 A)
 &rst
  ixpk= 319, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HA           16 LEU  QD-         2.80    (#    320:25  Unique         1.99, 3.79 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:321     16 LEU  QD-         3.50    (#    321:25  Single Ambig)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 256, 257,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PRO  HD-          16 LEU  QD-         3.50    (#    322:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 256, 257,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HG           16 LEU  QD-         2.80    (#    323:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HB+          16 LEU  QD-         3.50    (#    324:25  Unique         2.31, 3.29 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 240, 241,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:325     16 LEU  QD-         2.80    (#    325:25  Single Ambig)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 300, 301, 302, 304, 305, 306, 240, 241,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PRO  HB-          17 PRO  HA          3.50    (#    326:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 262, 263,
 &end
#
#    0 AMB  25-3:327     17 PRO  HA          3.50    (#    327:25  Single Ambig)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 259, 260, 259, 260, 273, 274,
 &end
#
#   17 PRO  HB+          17 PRO  HA          2.80    (#    328:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 262, 263,
 &end
#
#   17 PRO  HD-          17 PRO  HA          4.50    (#    329:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 256, 257,
 &end
#
#   18 GLU  HA           17 PRO  HA          4.50    (#    330:25  Unique         4.31, 4.31 A)
 &rst
  ixpk= 330, nxpk= 25, iat= 271, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD+          17 PRO  HA          4.50    (#    331:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 256, 257,
 &end
#
#   18 GLU  HN           17 PRO  HA          2.80    (#    332:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 269, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HN           17 PRO  HB+         4.50    (#    333:25  Unique         2.45, 2.92 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 262, 263,
 &end
#
#   20 VAL  HN           17 PRO  HB+         4.50    (#    334:25  Unique         3.28, 4.03 A)
 &rst
  ixpk= 334, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 262, 263,
 &end
#
#   17 PRO  HA           17 PRO  HB+         2.80    (#    335:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 262, 263,
 &end
#
#   17 PRO  HD+          17 PRO  HB+         4.50    (#    336:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 256, 257,
 igr2= 262, 263,
 &end
#
#   12 VAL  HA            0 AMB  25-1:337    5.50    (#    337:25  Single Ambig)
 &rst
  ixpk= 337, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 228, 229, 228, 229,
 &end
#
#   17 PRO  HD-          17 PRO  HB+         4.50    (#    338:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 256, 257,
 igr2= 262, 263,
 &end
#
#    0 AMB  25-3:339      0 AMB  25-1:339    2.80    (#    339:25  Double Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 259, 260, 259, 260,
 igr2= 262, 263, 262, 263,
 &end
#
#   19 ALA  QB           17 PRO  HB+         5.50    (#    340:25  Unique         3.03, 4.91 A)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288, 289, 290,
 igr2= 262, 263,
 &end
#
#    0 AMB  25-3:341      0 AMB  25-1:341    4.50    (#    341:25  Double Ambig)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
 igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306, 300, 301, 302, 304, 305, 306,
 igr2= 228, 229, 228, 229, 262, 263, 262, 263,
 &end
#
#    0 AMB  25-3:342     17 PRO  HB-         3.50    (#    342:25  Single Ambig)
 &rst
  ixpk= 342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 igr2= 262, 263,
 &end
#
#   19 ALA  QB           17 PRO  HB-         4.50    (#    343:25  Unique         3.03, 4.91 A)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 288, 289, 290,
 igr2= 262, 263,
 &end
#
#    0 AMB  25-3:344     17 PRO  HB-         2.80    (#    344:25  Single Ambig)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 259, 260, 259, 260,
 igr2= 262, 263,
 &end
#
#   17 PRO  HD-          17 PRO  HB-         3.50    (#    345:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 256, 257,
 igr2= 262, 263,
 &end
#
#    0 AMB  25-3:346     17 PRO  HB-         5.50    (#    346:25  Single Ambig)
 &rst
  ixpk= 346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 271, 296,
 igr2= 262, 263,
 &end
#
#   17 PRO  HD+          17 PRO  HB-         4.50    (#    347:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 256, 257,
 igr2= 262, 263,
 &end
#
#   17 PRO  HA           17 PRO  HB-         3.50    (#    348:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 262, 263,
 &end
#
#   20 VAL  HN           17 PRO  HB-         3.50    (#    349:25  Unique         3.28, 4.03 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 262, 263,
 &end
#
#   21 GLN  HN           17 PRO  HB-         5.50    (#    350:25  Unique         4.59, 5.28 A)
 &rst
  ixpk= 350, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 262, 263,
 &end
#
#   19 ALA  HN           17 PRO  HB-         4.50    (#    351:25  Unique         2.33, 3.27 A)
 &rst
  ixpk= 351, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 262, 263,
 &end
#
#   18 GLU  HN            0 AMB  25-1:352    5.50    (#    352:25  Single Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 259, 260, 259, 260,
 &end
#
#   20 VAL  HN            0 AMB  25-1:353    5.50    (#    353:25  Single Ambig)
 &rst
  ixpk= 353, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 259, 260, 259, 260,
 &end
#
#    0 AMB  25-3:354      0 AMB  25-1:354    3.50    (#    354:25  Double Ambig)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 265, 238,
 igr2= 259, 260, 259, 260, 259, 260,
 &end
#
#    0 AMB  25-3:355      0 AMB  25-1:355    2.80    (#    355:25  Double Ambig)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 256, 257, 256, 257,
 igr2= 259, 260, 259, 260,
 &end
#
#   17 PRO  HD-           0 AMB  25-1:356    2.80    (#    356:25  Single Ambig)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 256, 257,
 igr2= 259, 260, 259, 260,
 &end
#
#    0 AMB  25-3:357      0 AMB  25-1:357    2.80    (#    357:25  Double Ambig)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 262, 263, 262, 263,
 igr2= 259, 260, 259, 260,
 &end
#
#   17 PRO  HB-           0 AMB  25-1:359    2.80    (#    359:25  Single Ambig)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 262, 263,
 igr2= 259, 260, 259, 260,
 &end
#
#    0 AMB  25-3:360      0 AMB  25-1:360    2.80    (#    360:25  Double Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 igr2= 259, 260, 259, 260,
 &end
#
#   16 LEU  QD-           0 AMB  25-1:361    4.50    (#    361:25  Single Ambig)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 259, 260, 259, 260,
 &end
#
#   19 ALA  QB            0 AMB  25-1:362    4.50    (#    362:25  Single Ambig)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 288, 289, 290,
 igr2= 259, 260, 259, 260,
 &end
#
#   16 LEU  QD+          17 PRO  HD+         5.50    (#    363:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 256, 257,
 &end
#
#   16 LEU  QD-          17 PRO  HD+         3.50    (#    364:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:365      0 AMB  25-1:365    3.50    (#    365:25  Double Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 igr2= 256, 257, 256, 257,
 &end
#
#   16 LEU  HB-          17 PRO  HD+         3.50    (#    366:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 240, 241,
 igr2= 256, 257,
 &end
#
#   19 ALA  QB           17 PRO  HD+         5.50    (#    367:25  Unique         5.34, 6.74 A)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288, 289, 290,
 igr2= 256, 257,
 &end
#
#   17 PRO  HB-          17 PRO  HD+         4.50    (#    368:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 262, 263,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:369      0 AMB  25-1:369    2.80    (#    369:25  Double Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 259, 260, 259, 260,
 igr2= 256, 257, 256, 257,
 &end
#
#   17 PRO  HB+          17 PRO  HD+         4.50    (#    370:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 262, 263,
 igr2= 256, 257,
 &end
#
#   16 LEU  HA           17 PRO  HD+         2.80    (#    371:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 256, 257,
 &end
#
#   20 VAL  HN           17 PRO  HD+         5.50    (#    372:25  Unique         3.76, 4.40 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 257,
 &end
#
#   16 LEU  HN           17 PRO  HD+         5.50    (#    373:25  Unique         4.77, 4.92 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 257,
 &end
#
#   21 GLN  HN           17 PRO  HD-         5.50    (#    374:25  Unique         4.11, 5.04 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 257,
 &end
#
#   16 LEU  HN           17 PRO  HD-         5.50    (#    375:25  Unique         4.77, 4.92 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 257,
 &end
#
#   20 VAL  HN           17 PRO  HD-         4.50    (#    376:25  Unique         3.76, 4.40 A)
 &rst
  ixpk= 376, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 256, 257,
 &end
#
#   16 LEU  HA           17 PRO  HD-         2.80    (#    377:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:378     17 PRO  HD-         5.50    (#    378:25  Single Ambig)
 &rst
  ixpk= 378, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 223, 202,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:379     17 PRO  HD-         4.50    (#    379:25  Single Ambig)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 271,
 igr2= 256, 257,
 &end
#
#   17 PRO  HB+          17 PRO  HD-         4.50    (#    380:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 262, 263,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:381     17 PRO  HD-         2.80    (#    381:25  Single Ambig)
 &rst
  ixpk= 381, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 259, 260, 259, 260,
 igr2= 256, 257,
 &end
#
#   20 VAL  HB           17 PRO  HD-         3.50    (#    382:25  Unique         2.10, 3.04 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 256, 257,
 &end
#
#   17 PRO  HB-          17 PRO  HD-         3.50    (#    383:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 262, 263,
 igr2= 256, 257,
 &end
#
#   16 LEU  HB-          17 PRO  HD-         3.50    (#    384:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 240, 241,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:385     17 PRO  HD-         3.50    (#    385:25  Single Ambig)
 &rst
  ixpk= 385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 igr2= 256, 257,
 &end
#
#   16 LEU  QD-          17 PRO  HD-         3.50    (#    386:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 256, 257,
 &end
#
#   16 LEU  QD+          17 PRO  HD-         5.50    (#    387:25  Unique         2.79, 4.77 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:388     18 GLU  HA          5.50    (#    388:25  Single Ambig)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 317, 318, 240, 241,
 &end
#
#    0 AMB  25-3:389     18 GLU  HA          5.50    (#    389:25  Single Ambig)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 337, 338, 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:390     18 GLU  HA          3.50    (#    390:25  Single Ambig)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 314, 315, 317, 318,
 &end
#
#    0 AMB  25-3:391     18 GLU  HA          2.80    (#    391:25  Single Ambig)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 273, 274, 314, 315,
 &end
#
#   18 GLU  HG+          18 GLU  HA          4.50    (#    392:25  Unique         2.28, 2.96 A)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 276, 277,
 &end
#
#   18 GLU  HG-          18 GLU  HA          4.50    (#    393:25  Unique         2.28, 2.96 A)
 &rst
  ixpk= 393, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 276, 277,
 &end
#
#   19 ALA  HA           18 GLU  HA          4.50    (#    394:25  Unique         4.78, 4.79 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 286, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HA           18 GLU  HA          5.50    (#    395:25  Unique         4.31, 4.31 A)
 &rst
  ixpk= 395, nxpk= 25, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 VAL  HN           18 GLU  HA          5.50    (#    396:25  Unique         5.07, 5.10 A)
 &rst
  ixpk= 396, nxpk= 25, iat= 294, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HE2-         18 GLU  HA          4.50    (#    397:25  Unique         3.12, 4.60 A)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   21 GLN  HN           18 GLU  HA          4.50    (#    398:25  Unique         3.67, 3.70 A)
 &rst
  ixpk= 398, nxpk= 25, iat= 310, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HN           18 GLU  HA          3.50    (#    399:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 399, nxpk= 25, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HN           18 GLU  HB-         3.50    (#    400:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 273, 274,
 &end
#
#   18 GLU  HA           18 GLU  HB-         3.50    (#    401:25  Unique         2.38, 2.72 A)
 &rst
  ixpk= 401, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 273, 274,
 &end
#
#   18 GLU  HG+          18 GLU  HB-         3.50    (#    402:25  Unique         2.23, 2.72 A)
 &rst
  ixpk= 402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 276, 277,
 igr2= 273, 274,
 &end
#
#    0 AMB  25-3:403     18 GLU  HB-         4.50    (#    403:25  Single Ambig)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 337, 338, 288, 289, 290,
 igr2= 273, 274,
 &end
#
#   20 VAL  QG-          23 GLU  HB+         4.50    (#    404:25  Unique         4.10, 6.01 A)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 353, 354,
 &end
#
#    0 AMB  25-3:405      0 AMB  25-1:405    2.80    (#    405:25  Double Ambig)
 &rst
  ixpk= 405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 271, 366, 296,
 igr2= 273, 274, 416, 417, 416, 417, 353, 354,
 &end
#
#   27 GLU  HA            0 AMB  25-1:406    2.80    (#    406:25  Single Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 416, 417, 416, 417,
 &end
#
#   23 GLU  HA           23 GLU  HB-         3.50    (#    407:25  Unique         2.40, 2.79 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 353, 354,
 &end
#
#   20 VAL  QG-          23 GLU  HB-         4.50    (#    408:25  Unique         4.10, 6.01 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 353, 354,
 &end
#
#    0 AMB  25-3:409     23 GLU  HB-         5.50    (#    409:25  Single Ambig)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 igr2= 353, 354,
 &end
#
#   23 GLU  HN           23 GLU  HB-         3.50    (#    410:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 410, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 353, 354,
 &end
#
#   23 GLU  HN           23 GLU  HB+         3.50    (#    411:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 411, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 353, 354,
 &end
#
#   27 GLU  HN            0 AMB  25-1:412    2.80    (#    412:25  Single Ambig)
 &rst
  ixpk= 412, nxpk= 25, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 416, 417, 416, 417,
 &end
#
#   24 LEU  HN           23 GLU  HB-         3.50    (#    413:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 353, 354,
 &end
#
#   24 LEU  HN           23 GLU  HB+         3.50    (#    414:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 353, 354,
 &end
#
#   28 TRP  HN            0 AMB  25-1:415    3.50    (#    415:25  Single Ambig)
 &rst
  ixpk= 415, nxpk= 25, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 416, 417, 416, 417,
 &end
#
#   18 GLU  HN           18 GLU  HB+         3.50    (#    416:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 273, 274,
 &end
#
#   18 GLU  HN           18 GLU  HG+         5.50    (#    417:25  Unique         4.32, 4.44 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 277,
 &end
#
#   22 LYS  HN           18 GLU  HG+         7.00    (#    418:25  Unique         4.14, 4.66 A)
 &rst
  ixpk= 418, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 276, 277,
 &end
#
#   18 GLU  HA           18 GLU  HG+         4.50    (#    419:25  Unique         2.28, 2.96 A)
 &rst
  ixpk= 419, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 276, 277,
 &end
#
#    0 AMB  25-3:420      0 AMB  25-1:420    5.50    (#    420:25  Double Ambig)
 &rst
  ixpk= 420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 340, 341, 340, 341,
 igr2= 276, 277, 276, 277,
 &end
#
#   18 GLU  HB+          18 GLU  HG+         3.50    (#    421:25  Unique         2.23, 2.72 A)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 273, 274,
 igr2= 276, 277,
 &end
#
#   22 LYS  HD+          18 GLU  HG+         4.50    (#    422:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 337, 338,
 igr2= 276, 277,
 &end
#
#   22 LYS  HD-          18 GLU  HG+         5.50    (#    423:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 337, 338,
 igr2= 276, 277,
 &end
#
#   22 LYS  HD-          18 GLU  HG-         5.50    (#    424:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 337, 338,
 igr2= 276, 277,
 &end
#
#   22 LYS  HD+          18 GLU  HG-         4.50    (#    425:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 337, 338,
 igr2= 276, 277,
 &end
#
#   18 GLU  HB-          18 GLU  HG-         2.80    (#    426:25  Unique         2.23, 2.72 A)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 273, 274,
 igr2= 276, 277,
 &end
#
#    0 AMB  25-3:427     18 GLU  HG-         5.50    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 340, 341, 340, 341,
 igr2= 276, 277,
 &end
#
#   18 GLU  HA           18 GLU  HG-         4.50    (#    428:25  Unique         2.28, 2.96 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 276, 277,
 &end
#
#   18 GLU  HN           18 GLU  HG-         5.50    (#    429:25  Unique         4.32, 4.44 A)
 &rst
  ixpk= 429, nxpk= 25, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 276, 277,
 &end
#
#   19 ALA  HN           19 ALA  HA          3.50    (#    430:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 LYS  HN           19 ALA  HA          4.50    (#    431:25  Unique         3.39, 3.51 A)
 &rst
  ixpk= 431, nxpk= 25, iat= 327, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           19 ALA  HA          5.50    (#    432:25  Unique         4.21, 4.24 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 349, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:433     19 ALA  HA          4.50    (#    433:25  Single Ambig)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 273, 274, 298,
 &end
#
#    0 AMB  25-3:434     19 ALA  HA          3.50    (#    434:25  Single Ambig)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:435     19 ALA  HA          3.50    (#    435:25  Single Ambig)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 337, 338, 334, 335, 334, 335,
 &end
#
#   19 ALA  QB           19 ALA  HA          2.80    (#    436:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 288, 289, 290,
 &end
#
#   20 VAL  QG+          19 ALA  QB          3.50    (#    437:25  Unique         2.91, 6.11 A)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 288, 289, 290,
 &end
#
#   22 LYS  HD+          19 ALA  QB          4.50    (#    438:25  Unique         5.43, 7.16 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 337, 338,
 igr2= 288, 289, 290,
 &end
#
#   17 PRO  HB-          19 ALA  QB          3.50    (#    439:25  Unique         3.03, 4.91 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 262, 263,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  25-3:440     19 ALA  QB          4.50    (#    440:25  Single Ambig)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 273, 274, 298,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  25-3:441     19 ALA  QB          4.50    (#    441:25  Single Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 271,
 igr2= 288, 289, 290,
 &end
#
#   19 ALA  HA           19 ALA  QB          2.80    (#    442:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 442, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 288, 289, 290,
 &end
#
#   20 VAL  HN           19 ALA  QB          3.50    (#    443:25  Unique         2.03, 2.99 A)
 &rst
  ixpk= 443, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 288, 289, 290,
 &end
#
#   19 ALA  HN           19 ALA  QB          3.50    (#    444:25  Unique         2.07, 2.88 A)
 &rst
  ixpk= 444, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 288, 289, 290,
 &end
#
#   19 ALA  QB           20 VAL  QG+         3.50    (#    445:25  Unique         2.91, 6.11 A)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 288, 289, 290,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   24 LEU  HG           20 VAL  QG+         4.50    (#    446:25  Unique         2.69, 4.83 A)
 &rst
  ixpk= 446, nxpk= 25, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:447      0 AMB  25-1:447    3.50    (#    447:25  Double Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 106, 262, 263,
 igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306,
 &end
#
#   20 VAL  HB           20 VAL  QG+         2.80    (#    448:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 448, nxpk= 25, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:449      0 AMB  25-1:449    2.80    (#    449:25  Double Ambig)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 259, 260, 259, 260,
 igr2= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 &end
#
#    0 AMB  25-3:450      0 AMB  25-1:450    4.50    (#    450:25  Double Ambig)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 228, 229, 228, 229, 262, 263,
 igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306,
 &end
#
#   17 PRO  HD-          20 VAL  QG+         3.50    (#    451:25  Unique         2.45, 4.51 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 256, 257,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  HA           20 VAL  QG+         2.80    (#    452:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 452, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:453      0 AMB  25-1:453    3.50    (#    453:25  Double Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 256, 257, 182,
 igr2= 300, 301, 302, 304, 305, 306, 170, 171, 172, 174,
       175, 176,
 &end
#
#    0 AMB  25-3:454      0 AMB  25-1:454    5.50    (#    454:25  Double Ambig)
 &rst
  ixpk= 454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 238, 265,
 igr2= 300, 301, 302, 304, 305, 306, 300, 301, 302, 304,
       305, 306,
 &end
#
#   20 VAL  HN           20 VAL  QG+         3.50    (#    455:25  Unique         2.10, 3.78 A)
 &rst
  ixpk= 455, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   21 GLN  HN           20 VAL  QG+         5.50    (#    456:25  Unique         3.42, 4.62 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   24 LEU  HN           21 GLN  HA          4.50    (#    457:25  Unique         3.67, 3.79 A)
 &rst
  ixpk= 457, nxpk= 25, iat= 364, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 LYS  HN           21 GLN  HA          4.50    (#    458:25  Unique         3.52, 3.53 A)
 &rst
  ixpk= 458, nxpk= 25, iat= 327, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HN           21 GLN  HA          3.50    (#    459:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 459, nxpk= 25, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 GLN  HE2-         21 GLN  HA          5.50    (#    460:25  Unique         4.50, 5.37 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   23 GLU  HN           21 GLN  HA          7.00    (#    461:25  Unique         4.43, 4.54 A)
 &rst
  ixpk= 461, nxpk= 25, iat= 349, 312, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:462     21 GLN  HA          5.50    (#    462:25  Single Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 294,  59,
 &end
#
#    0 AMB  25-3:463     21 GLN  HA          3.50    (#    463:25  Single Ambig)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 192, 194,
 &end
#
#    0 AMB  25-3:464     21 GLN  HA          4.50    (#    464:25  Single Ambig)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 322, 323, 196, 444, 188,
 &end
#
#    0 AMB  25-3:465     21 GLN  HA          4.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 329, 256, 257, 182,
 &end
#
#    0 AMB  25-3:466     21 GLN  HA          4.50    (#    466:25  Single Ambig)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 296, 271, 366,
 &end
#
#   21 GLN  HB-          21 GLN  HA          3.50    (#    467:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 467, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#    0 AMB  25-3:468     21 GLN  HA          2.80    (#    468:25  Single Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 317, 318, 314, 315,
 &end
#
#    0 AMB  25-3:469     21 GLN  HA          3.50    (#    469:25  Single Ambig)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 368, 369, 240, 241,
 &end
#
#   21 GLN  HG-          21 GLN  HA          3.50    (#    470:25  Unique         2.08, 2.66 A)
 &rst
  ixpk= 470, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 317, 318,
 &end
#
#    0 AMB  25-3:471     21 GLN  HA          3.50    (#    471:25  Single Ambig)
 &rst
  ixpk= 471, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 245, 246, 247, 249, 250, 251, 373, 374, 375, 377,
       378, 379, 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:472     21 GLN  HA          4.50    (#    472:25  Single Ambig)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 368, 369, 245, 246, 247, 249, 250, 251,
 &end
#
#   21 GLN  HG-          21 GLN  HB+         2.80    (#    473:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 317, 318,
 igr2= 314, 315,
 &end
#
#   18 GLU  HG-          21 GLN  HB+         5.50    (#    474:25  Unique         4.07, 5.13 A)
 &rst
  ixpk= 474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 276, 277,
 igr2= 314, 315,
 &end
#
#   21 GLN  HA           21 GLN  HB+         3.50    (#    475:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 314, 315,
 &end
#
#   18 GLU  HA           21 GLN  HB+         4.50    (#    476:25  Unique         2.44, 3.12 A)
 &rst
  ixpk= 476, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 314, 315,
 &end
#
#   21 GLN  HE2+         21 GLN  HB+         4.50    (#    477:25  Unique         2.62, 3.98 A)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 314, 315,
 &end
#
#    0 AMB  25-3:478      0 AMB  25-1:478    3.50    (#    478:25  Double Ambig)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 194, 192,
 igr2= 314, 315, 314, 315,
 &end
#
#   21 GLN  HE2-         21 GLN  HB+         4.50    (#    479:25  Unique         2.62, 3.98 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 314, 315,
 &end
#
#   21 GLN  HN           21 GLN  HB+         3.50    (#    480:25  Unique         2.08, 2.84 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 314, 315,
 &end
#
#   22 LYS  HN           21 GLN  HB+         4.50    (#    481:25  Unique         2.63, 3.07 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 314, 315,
 &end
#
#    3 MET  HA            0 AMB  25-1:482    3.50    (#    482:25  Single Ambig)
 &rst
  ixpk= 482, nxpk= 25, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  32,  33,  32,  33,
 &end
#
#    0 AMB  25-3:483     21 GLN  HG-         4.50    (#    483:25  Single Ambig)
 &rst
  ixpk= 483, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 245, 246, 247, 249, 250, 251, 368, 369,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:484     21 GLN  HG-         4.50    (#    484:25  Single Ambig)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 245, 246, 247, 249, 250, 251, 392, 393, 394, 396,
       397, 398,
 igr2= 317, 318,
 &end
#
#   16 LEU  HB+          21 GLN  HG-         3.50    (#    485:25  Unique         2.21, 3.22 A)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 240, 241,
 igr2= 317, 318,
 &end
#
#   21 GLN  HB-          21 GLN  HG-         3.50    (#    486:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 314, 315,
 igr2= 317, 318,
 &end
#
#   21 GLN  HA           21 GLN  HG-         3.50    (#    487:25  Unique         2.08, 2.66 A)
 &rst
  ixpk= 487, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:488     21 GLN  HG-         5.50    (#    488:25  Single Ambig)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 271, 296,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:489     21 GLN  HG-         5.50    (#    489:25  Single Ambig)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 256, 257, 182, 329,
 igr2= 317, 318,
 &end
#
#   14 TYR  HA           21 GLN  HG-         5.50    (#    490:25  Unique         4.21, 4.64 A)
 &rst
  ixpk= 490, nxpk= 25, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:491     21 GLN  HG-         4.50    (#    491:25  Single Ambig)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 322, 323, 196,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:492     21 GLN  HG-         4.50    (#    492:25  Single Ambig)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 194, 192,
 igr2= 317, 318,
 &end
#
#   21 GLN  HE2-         21 GLN  HG-         4.50    (#    493:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 317, 318,
 &end
#
#   16 LEU  HN           21 GLN  HG-         5.50    (#    494:25  Unique         4.20, 4.52 A)
 &rst
  ixpk= 494, nxpk= 25, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 317, 318,
 &end
#
#   21 GLN  HN           21 GLN  HG-         4.50    (#    495:25  Unique         2.52, 3.40 A)
 &rst
  ixpk= 495, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 317, 318,
 &end
#
#   22 LYS  HN           21 GLN  HG-         5.50    (#    496:25  Unique         4.51, 4.88 A)
 &rst
  ixpk= 496, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 317, 318,
 &end
#
#   22 LYS  HN           22 LYS  HA          3.50    (#    497:25  Unique         2.78, 2.82 A)
 &rst
  ixpk= 497, nxpk= 25, iat= 327, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ALA  HN           22 LYS  HA          4.50    (#    498:25  Unique         3.32, 3.56 A)
 &rst
  ixpk= 498, nxpk= 25, iat= 402, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 LYS  HA          4.50    (#    499:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 499, nxpk= 25, iat= 349, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:500     22 LYS  HA          2.80    (#    500:25  Single Ambig)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 387, 388, 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:501     22 LYS  HA          3.50    (#    501:25  Single Ambig)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 337, 338, 334, 335, 334, 335,
 &end
#
#   22 LYS  HD-          22 LYS  HA          3.50    (#    502:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   25 LEU  QD-          22 LYS  HA          3.50    (#    503:25  Unique         3.34, 5.53 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#    3 MET  HA            0 AMB  25-1:504    4.50    (#    504:25  Single Ambig)
 &rst
  ixpk= 504, nxpk= 25, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  32,  33,  32,  33,
 &end
#
#   22 LYS  HN            0 AMB  25-1:505    4.50    (#    505:25  Single Ambig)
 &rst
  ixpk= 505, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:506      0 AMB  25-1:506    5.50    (#    506:25  Double Ambig)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 473, 451,
 igr2= 461, 462, 461, 462, 461, 462,
 &end
#
#    0 AMB  25-3:507      0 AMB  25-1:507    3.50    (#    507:25  Double Ambig)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 453,
 igr2= 461, 462, 461, 462, 461, 462,
 &end
#
#    0 AMB  25-3:508      0 AMB  25-1:508    3.50    (#    508:25  Double Ambig)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 286, 351,
 igr2= 334, 335, 334, 335, 334, 335,
 &end
#
#   22 LYS  HA            0 AMB  25-1:509    4.50    (#    509:25  Single Ambig)
 &rst
  ixpk= 509, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 334, 335, 334, 335,
 &end
#
#   18 GLU  HA            0 AMB  25-1:510    5.50    (#    510:25  Single Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:511      0 AMB  25-1:511    3.50    (#    511:25  Double Ambig)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 464, 465, 464, 465, 464, 465, 340, 341, 340, 341,
       340, 341,
 igr2= 461, 462, 461, 462, 461, 462, 334, 335, 334, 335,
       334, 335,
 &end
#
#    0 AMB  25-3:512      0 AMB  25-1:512    3.50    (#    512:25  Double Ambig)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 276, 277, 276, 277, 356, 357,
 igr2= 334, 335, 334, 335, 334, 335,
 &end
#
#   18 GLU  HG-           0 AMB  25-1:513    3.50    (#    513:25  Single Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 276, 277,
 igr2= 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:514      0 AMB  25-1:514    3.50    (#    514:25  Double Ambig)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 314, 315, 273, 274, 273, 274, 353, 354, 353, 354,
      
 igr2= 334, 335, 334, 335, 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:515      0 AMB  25-1:515    2.80    (#    515:25  Double Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 331, 332, 331, 332, 331, 332, 387, 388,
 igr2= 334, 335, 334, 335, 334, 335, 461, 462,
 &end
#
#    0 AMB  25-3:516      0 AMB  25-1:516    2.80    (#    516:25  Double Ambig)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 458, 459, 337, 338,
 igr2= 461, 462, 461, 462, 334, 335, 334, 335,
 &end
#
#    0 AMB  25-3:517      0 AMB  25-1:517    2.80    (#    517:25  Double Ambig)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 331, 332, 331, 332,
 igr2= 337, 338, 337, 338,
 &end
#
#    0 AMB  25-3:518      0 AMB  25-1:518    4.50    (#    518:25  Double Ambig)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 340, 341, 340, 341,
 igr2= 337, 338, 337, 338,
 &end
#
#   22 LYS  HA           22 LYS  HD+         4.50    (#    519:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 519, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   19 ALA  HA           22 LYS  HD+         5.50    (#    520:25  Unique         3.39, 4.74 A)
 &rst
  ixpk= 520, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   23 GLU  HN           22 LYS  HD+         5.50    (#    521:25  Unique         4.77, 5.78 A)
 &rst
  ixpk= 521, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   22 LYS  HN           22 LYS  HD+         3.50    (#    522:25  Unique         2.45, 4.10 A)
 &rst
  ixpk= 522, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   22 LYS  HN           22 LYS  HD-         4.50    (#    523:25  Unique         2.45, 4.10 A)
 &rst
  ixpk= 523, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 337, 338,
 &end
#
#   22 LYS  HA           22 LYS  HD-         3.50    (#    524:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 524, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:525     22 LYS  HD-         4.50    (#    525:25  Single Ambig)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 340, 341, 340, 341,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:526     22 LYS  HD-         2.80    (#    526:25  Single Ambig)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 331, 332, 331, 332,
 igr2= 337, 338,
 &end
#
#   22 LYS  HD-           0 AMB  25-1:527    3.50    (#    527:25  Single Ambig)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 337, 338,
 igr2= 340, 341, 340, 341,
 &end
#
#    0 AMB  25-3:528      0 AMB  25-1:528    2.80    (#    528:25  Double Ambig)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 337, 338, 337, 338, 334, 335, 334, 335, 334, 335,
      
 igr2= 340, 341, 340, 341, 340, 341, 340, 341,
 &end
#
#    0 AMB  25-3:529      0 AMB  25-1:529    3.50    (#    529:25  Double Ambig)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 331, 332, 331, 332, 331, 332,
 igr2= 340, 341, 340, 341, 340, 341,
 &end
#
#   18 GLU  HA            0 AMB  25-1:530    4.50    (#    530:25  Single Ambig)
 &rst
  ixpk= 530, nxpk= 25, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 340, 341, 340, 341,
 &end
#
#    0 AMB  25-3:531      0 AMB  25-1:531    4.50    (#    531:25  Double Ambig)
 &rst
  ixpk= 531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 286, 351,
 igr2= 340, 341, 340, 341,
 &end
#
#    0 AMB  25-3:532     27 GLU  HA          3.50    (#    532:25  Single Ambig)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 412, 473, 451,
 &end
#
#   14 TYR  HD2          11 GLN  HG+         5.50    (#    533:25  Unique         4.39, 4.83 A)
 &rst
  ixpk= 533, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#   14 TYR  HD2          11 GLN  HG-         5.50    (#    534:25  Unique         4.39, 4.83 A)
 &rst
  ixpk= 534, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 154, 155,
 &end
#
#   24 LEU  QD+          24 LEU  HA          2.80    (#    535:25  Unique         2.02, 3.12 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:536     24 LEU  HA          3.50    (#    536:25  Single Ambig)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 368, 369, 371,
 &end
#
#    0 AMB  25-3:537     24 LEU  HA          3.50    (#    537:25  Single Ambig)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 416, 417, 416, 417,
 &end
#
#    0 AMB  25-3:538     24 LEU  HA          4.50    (#    538:25  Single Ambig)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 419, 420, 419, 420,
 &end
#
#   27 GLU  HN           24 LEU  HA          4.50    (#    539:25  Unique         3.68, 3.83 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 412, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HN           24 LEU  HA          4.50    (#    540:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 540, nxpk= 25, iat= 383, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LEU  HN           24 LEU  HA          3.50    (#    541:25  Unique         2.76, 2.77 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HZ3          24 LEU  HB-         5.50    (#    542:25  Unique         2.78, 3.71 A)
 &rst
  ixpk= 542, nxpk= 25, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#   28 TRP  HH2          24 LEU  HB-         5.50    (#    543:25  Unique         3.03, 4.28 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:544     24 LEU  HB-         4.50    (#    544:25  Single Ambig)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 192, 190,
 igr2= 368, 369,
 &end
#
#   28 TRP  HZ2          24 LEU  HB-         5.50    (#    545:25  Unique         4.06, 5.36 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#   26 ALA  HN           24 LEU  HB-         7.00    (#    546:25  Unique         4.70, 5.41 A)
 &rst
  ixpk= 546, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 368, 369,
 &end
#
#   25 LEU  HN           24 LEU  HB-         4.50    (#    547:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 547, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   24 LEU  HN           24 LEU  HB-         4.50    (#    548:25  Unique         2.21, 2.88 A)
 &rst
  ixpk= 548, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:549     24 LEU  HB-         5.50    (#    549:25  Single Ambig)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 385, 329,
 igr2= 368, 369,
 &end
#
#   24 LEU  HA           24 LEU  HB-         3.50    (#    550:25  Unique         2.63, 2.81 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   21 GLN  HA           24 LEU  HB-         5.50    (#    551:25  Unique         2.71, 3.51 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:552     24 LEU  HB-         5.50    (#    552:25  Single Ambig)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 416, 417, 416, 417, 298,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:553     24 LEU  HB-         5.50    (#    553:25  Single Ambig)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 390, 317, 318, 314, 315,
 igr2= 368, 369,
 &end
#
#    0 AMB  25-3:554      0 AMB  25-1:554    3.50    (#    554:25  Double Ambig)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 387, 388, 406, 407, 408,  69,  70,  69,  70,
 igr2= 368, 369, 368, 369, 368, 369, 368, 369,
 &end
#
#    0 AMB  25-3:555      0 AMB  25-1:555    4.50    (#    555:25  Double Ambig)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 385, 329,
 igr2= 368, 369, 368, 369,
 &end
#
#    0 AMB  25-3:556      0 AMB  25-1:556    4.50    (#    556:25  Double Ambig)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 310, 412,
 igr2= 368, 369, 368, 369,
 &end
#
#   25 LEU  HN           24 LEU  HB+         3.50    (#    557:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   24 LEU  HN           24 LEU  QD+         4.50    (#    558:25  Unique         2.01, 3.95 A)
 &rst
  ixpk= 558, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 TRP  HZ2          24 LEU  QD+         4.50    (#    559:25  Unique         2.64, 4.62 A)
 &rst
  ixpk= 559, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   13 PHE  HE1          24 LEU  QD+         4.50    (#    560:25  Unique         2.07, 3.85 A)
 &rst
  ixpk= 560, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:561      0 AMB  25-1:561    5.50    (#    561:25  Double Ambig)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 444, 188,
 igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#   24 LEU  HA           24 LEU  QD+         2.80    (#    563:25  Unique         2.02, 3.12 A)
 &rst
  ixpk= 563, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 GLU  HG+          24 LEU  QD+         4.50    (#    564:25  Unique         3.00, 6.89 A)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 356, 357,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:565      0 AMB  25-1:565    4.50    (#    565:25  Double Ambig)
 &rst
  ixpk= 565, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 353, 354, 416, 417,
 igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#    0 AMB  25-3:566      0 AMB  25-1:566    4.50    (#    566:25  Double Ambig)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 317, 318, 390,
 igr2= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#   24 LEU  HG           24 LEU  QD+         2.80    (#    567:25  Unique         2.27, 2.63 A)
 &rst
  ixpk= 567, nxpk= 25, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:569     24 LEU  QD-         2.80    (#    569:25  Single Ambig)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 371, 368, 369,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:570     24 LEU  QD-         4.50    (#    570:25  Single Ambig)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 317, 318, 390, 243,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:571     24 LEU  QD-         4.50    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 353, 354, 416, 417,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   21 GLN  HA           24 LEU  QD-         4.50    (#    573:25  Unique         4.48, 5.84 A)
 &rst
  ixpk= 573, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   24 LEU  HA           24 LEU  QD-         4.50    (#    574:25  Unique         2.02, 3.12 A)
 &rst
  ixpk= 574, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:575     24 LEU  QD-         5.50    (#    575:25  Single Ambig)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 385, 182,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:576     24 LEU  QD-         4.50    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 444, 188,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 TRP  HH2          24 LEU  QD-         4.50    (#    577:25  Unique         2.26, 4.53 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:578     24 LEU  QD-         4.50    (#    578:25  Single Ambig)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  59,  61,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   13 PHE  HE1          24 LEU  QD-         3.50    (#    579:25  Unique         2.07, 3.85 A)
 &rst
  ixpk= 579, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 TRP  HZ2          24 LEU  QD-         4.50    (#    580:25  Unique         2.64, 4.62 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   25 LEU  HN           24 LEU  QD-         5.50    (#    581:25  Unique         4.51, 5.41 A)
 &rst
  ixpk= 581, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   24 LEU  HN           24 LEU  QD-         4.50    (#    582:25  Unique         2.01, 3.95 A)
 &rst
  ixpk= 582, nxpk= 25, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   28 TRP  HN           25 LEU  HA          5.50    (#    583:25  Unique         3.35, 3.62 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 427, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  HN           25 LEU  HA          3.50    (#    584:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ALA  HN           25 LEU  HA          4.50    (#    585:25  Unique         3.50, 3.57 A)
 &rst
  ixpk= 585, nxpk= 25, iat= 402, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HE3          25 LEU  HA          3.50    (#    586:25  Unique         2.05, 2.74 A)
 &rst
  ixpk= 586, nxpk= 25, iat= 446, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:587     25 LEU  HA          3.50    (#    587:25  Single Ambig)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#   25 LEU  HB+          25 LEU  HA          3.50    (#    588:25  Unique         2.50, 2.78 A)
 &rst
  ixpk= 588, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   25 LEU  HB-          25 LEU  HA          3.50    (#    589:25  Unique         2.50, 2.78 A)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   25 LEU  QD+          25 LEU  HA          2.80    (#    590:25  Unique         2.00, 3.71 A)
 &rst
  ixpk= 590, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  QD+          25 LEU  HB+         3.50    (#    591:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 392, 393, 394, 396, 397, 398,
 igr2= 387, 388,
 &end
#
#   25 LEU  QD-          25 LEU  HB+         3.50    (#    592:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 392, 393, 394, 396, 397, 398,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:593      0 AMB  25-1:593    3.50    (#    593:25  Double Ambig)
 &rst
  ixpk= 593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 385, 329,
 igr2= 387, 388, 387, 388,
 &end
#
#    0 AMB  25-3:594      0 AMB  25-1:594    5.50    (#    594:25  Double Ambig)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 404, 351,
 igr2= 387, 388, 387, 388,
 &end
#
#    0 AMB  25-3:595      0 AMB  25-1:595    5.50    (#    595:25  Double Ambig)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 192, 194,
 igr2= 387, 388, 387, 388,
 &end
#
#   26 ALA  HN           25 LEU  HB+         3.50    (#    596:25  Unique         2.17, 2.71 A)
 &rst
  ixpk= 596, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   25 LEU  HN           25 LEU  HB+         3.50    (#    597:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   25 LEU  HN           25 LEU  HB-         3.50    (#    598:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 598, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:599     25 LEU  HB-         5.50    (#    599:25  Single Ambig)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 451, 310,
 igr2= 387, 388,
 &end
#
#   26 ALA  HN           25 LEU  HB-         4.50    (#    600:25  Unique         2.17, 2.71 A)
 &rst
  ixpk= 600, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   28 TRP  HE3          25 LEU  HB-         5.50    (#    601:25  Unique         4.36, 5.35 A)
 &rst
  ixpk= 601, nxpk= 25, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:602     25 LEU  HB-         5.50    (#    602:25  Single Ambig)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 192, 194,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:603     25 LEU  HB-         5.50    (#    603:25  Single Ambig)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 404, 351,
 igr2= 387, 388,
 &end
#
#   25 LEU  HA           25 LEU  HB-         3.50    (#    604:25  Unique         2.50, 2.78 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:605     25 LEU  HB-         5.50    (#    605:25  Single Ambig)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 431, 432, 431, 432,
 igr2= 387, 388,
 &end
#
#   25 LEU  QD-          25 LEU  HB-         3.50    (#    606:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 392, 393, 394, 396, 397, 398,
 igr2= 387, 388,
 &end
#
#   25 LEU  QD+          25 LEU  HB-         3.50    (#    607:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 392, 393, 394, 396, 397, 398,
 igr2= 387, 388,
 &end
#
#   25 LEU  QD+          25 LEU  HG          3.50    (#    608:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  QD-          25 LEU  HG          3.50    (#    609:25  Unique         2.39, 2.63 A)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  HB-          25 LEU  HG          3.50    (#    610:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   21 GLN  HB-          25 LEU  HG          4.50    (#    611:25  Unique         3.32, 4.51 A)
 &rst
  ixpk= 611, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 314, 315,
 &end
#
#    0 AMB  25-3:612     25 LEU  HG          5.50    (#    612:25  Single Ambig)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 340, 341, 340, 341,
 &end
#
#    0 AMB  25-3:614     25 LEU  HG          3.50    (#    614:25  Single Ambig)
 &rst
  ixpk= 614, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 385, 329,
 &end
#
#    0 AMB  25-3:615     25 LEU  HG          3.50    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 194, 192,
 &end
#
#   25 LEU  HN           25 LEU  HG          3.50    (#    616:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 616, nxpk= 25, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           25 LEU  QD-         4.50    (#    617:25  Unique         3.17, 4.49 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:618     25 LEU  QD-         5.50    (#    618:25  Single Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 451, 412, 310,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   26 ALA  HN           25 LEU  QD-         5.50    (#    619:25  Unique         4.60, 5.43 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   28 TRP  HE3          25 LEU  QD-         5.50    (#    620:25  Unique         2.25, 5.09 A)
 &rst
  ixpk= 620, nxpk= 25, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:622     25 LEU  QD-         3.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 194, 192,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:623     25 LEU  QD-         5.50    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  57, 210,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:624     25 LEU  QD-         5.50    (#    624:25  Single Ambig)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 444, 322, 323,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   22 LYS  HA           25 LEU  QD-         3.50    (#    625:25  Unique         3.34, 5.53 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:626     25 LEU  QD-         5.50    (#    626:25  Single Ambig)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 340, 341, 340, 341,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   21 GLN  HB-          25 LEU  QD-         4.50    (#    627:25  Unique         3.03, 5.75 A)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 314, 315,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  HB+          25 LEU  QD-         2.80    (#    628:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 387, 388,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:629     25 LEU  QD-         4.50    (#    629:25  Single Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 461, 462, 461, 462, 368, 369, 334, 335, 334, 335,
      
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  HB-          25 LEU  QD-         3.50    (#    630:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 387, 388,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#   25 LEU  HB-          25 LEU  QD+         3.50    (#    631:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 387, 388,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:632      0 AMB  25-1:632    4.50    (#    632:25  Double Ambig)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
 igr1= 461, 462, 461, 462, 368, 369, 334, 335,
 igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
       397, 398, 392, 393, 394, 396, 397, 398, 392, 393,
       394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:633      0 AMB  25-1:633    3.50    (#    633:25  Double Ambig)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 314, 315, 317, 318,
 igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
       397, 398, 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:634      0 AMB  25-1:634    4.50    (#    634:25  Double Ambig)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 431, 432, 431, 432,
 igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
       397, 398,
 &end
#
#   25 LEU  HA           25 LEU  QD+         3.50    (#    635:25  Unique         2.00, 3.71 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:636      0 AMB  25-1:636    3.50    (#    636:25  Double Ambig)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 194, 192,
 igr2= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
       397, 398,
 &end
#
#   28 TRP  HE3          25 LEU  QD+         3.50    (#    637:25  Unique         2.25, 5.09 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  25-3:638     26 ALA  HA          3.50    (#    638:25  Single Ambig)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 451, 412, 473,
 &end
#
#   26 ALA  HN           26 ALA  HA          3.50    (#    639:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:640     26 ALA  HA          3.50    (#    640:25  Single Ambig)
 &rst
  ixpk= 640, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 456, 455, 456,
 &end
#
#    0 AMB  25-3:641     26 ALA  HA          4.50    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 461, 462, 461, 462, 480, 481,
 &end
#
#    0 AMB  25-3:642     26 ALA  HA          2.80    (#    642:25  Single Ambig)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 458, 459, 406, 407, 408,
 &end
#
#    0 AMB  25-3:643     26 ALA  QB          3.50    (#    643:25  Single Ambig)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 387, 388, 331, 332, 331, 332,
 igr2= 406, 407, 408,
 &end
#
#    0 AMB  25-3:644     26 ALA  QB          3.50    (#    644:25  Single Ambig)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 416, 417, 416, 417, 353, 354,
 igr2= 406, 407, 408,
 &end
#
#    0 AMB  25-3:645     26 ALA  QB          4.50    (#    645:25  Single Ambig)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 356, 357, 419, 420, 419, 420,
 igr2= 406, 407, 408,
 &end
#
#   23 GLU  HG-          26 ALA  QB          5.50    (#    646:25  Unique         4.54, 6.10 A)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 356, 357,
 igr2= 406, 407, 408,
 &end
#
#   22 LYS  HA           26 ALA  QB          5.50    (#    647:25  Unique         3.98, 5.00 A)
 &rst
  ixpk= 647, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
#    0 AMB  25-3:648     26 ALA  QB          2.80    (#    648:25  Single Ambig)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 404, 351,
 igr2= 406, 407, 408,
 &end
#
#   26 ALA  HN           26 ALA  QB          2.80    (#    649:25  Unique         2.20, 2.89 A)
 &rst
  ixpk= 649, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 406, 407, 408,
 &end
#
#   27 GLU  HN           26 ALA  QB          3.50    (#    650:25  Unique         2.28, 3.39 A)
 &rst
  ixpk= 650, nxpk= 25, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 406, 407, 408,
 &end
#
#    0 AMB  25-3:651     26 ALA  QB          5.50    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 383, 497,
 igr2= 406, 407, 408,
 &end
#
#   28 TRP  HN           26 ALA  QB          5.50    (#    652:25  Unique         4.77, 5.72 A)
 &rst
  ixpk= 652, nxpk= 25, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 406, 407, 408,
 &end
#
#   14 TYR  HD2          11 GLN  HA          5.50    (#    653:25  Unique         2.90, 3.00 A)
 &rst
  ixpk= 653, nxpk= 25, iat= 217, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:654      0 AMB  25-1:654    4.50    (#    654:25  Double Ambig)
 &rst
  ixpk= 654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 392, 393, 394, 396, 397, 398, 392, 393, 394, 396,
       397, 398, 373, 374, 375, 377, 378, 379,
 igr2= 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:655      0 AMB  25-1:655    4.50    (#    655:25  Double Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 458, 459, 458, 459, 387, 388,  69,  70,  69,  70,
      
 igr2= 431, 432, 431, 432, 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:656      0 AMB  25-1:656    4.50    (#    656:25  Double Ambig)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 455, 456, 455, 456, 455, 456, 390,  32,  33,
 igr2= 431, 432, 431, 432, 431, 432, 431, 432, 431, 432,
      
 &end
#
#    0 AMB  25-3:657      0 AMB  25-1:657    5.50    (#    657:25  Double Ambig)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  72,  73,  72,  73,
 igr2= 431, 432, 431, 432,
 &end
#
#   24 LEU  HA            0 AMB  25-1:658    4.50    (#    658:25  Single Ambig)
 &rst
  ixpk= 658, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 431, 432, 431, 432,
 &end
#
#   25 LEU  HA            0 AMB  25-1:659    3.50    (#    659:25  Single Ambig)
 &rst
  ixpk= 659, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:660      0 AMB  25-1:660    4.50    (#    660:25  Double Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 453, 404, 414,
 igr2= 431, 432, 431, 432, 431, 432, 431, 432,
 &end
#
#   28 TRP  HA            0 AMB  25-1:661    3.50    (#    661:25  Single Ambig)
 &rst
  ixpk= 661, nxpk= 25, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 431, 432, 431, 432,
 &end
#
#   28 TRP  HD1           0 AMB  25-1:662    3.50    (#    662:25  Single Ambig)
 &rst
  ixpk= 662, nxpk= 25, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 431, 432, 431, 432,
 &end
#
#   28 TRP  HE3           0 AMB  25-1:663    3.50    (#    663:25  Single Ambig)
 &rst
  ixpk= 663, nxpk= 25, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 431, 432, 431, 432,
 &end
#
#   29 LYS  HN            0 AMB  25-1:664    3.50    (#    664:25  Single Ambig)
 &rst
  ixpk= 664, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 431, 432, 431, 432,
 &end
#
#   28 TRP  HN            0 AMB  25-1:665    2.80    (#    665:25  Single Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 431, 432, 431, 432,
 &end
#
#   28 TRP  HN           28 TRP  HA          4.50    (#    666:25  Unique         2.78, 2.84 A)
 &rst
  ixpk= 666, nxpk= 25, iat= 427, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HD1          28 TRP  HA          3.50    (#    667:25  Unique         2.06, 2.15 A)
 &rst
  ixpk= 667, nxpk= 25, iat= 435, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:668     28 TRP  HA          2.80    (#    668:25  Single Ambig)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  25-3:669     30 ARG  HA          3.50    (#    669:25  Single Ambig)
 &rst
  ixpk= 669, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 480, 481, 461, 462, 461, 462,
 &end
#
#   30 ARG  HG+          30 ARG  HA          3.50    (#    670:25  Unique         2.48, 3.28 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 480, 481,
 &end
#
#    0 AMB  25-3:671     30 ARG  HA          2.80    (#    671:25  Single Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 477, 478, 477, 478,
 &end
#
#    0 AMB  25-3:672     30 ARG  HA          4.50    (#    672:25  Single Ambig)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 483, 484, 483, 484,
 &end
#
#   30 ARG  HN           30 ARG  HA          3.50    (#    673:25  Unique         2.80, 2.86 A)
 &rst
  ixpk= 673, nxpk= 25, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           30 ARG  HA          4.50    (#    674:25  Unique         3.46, 3.51 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 497, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN            0 AMB  25-1:675    4.50    (#    675:25  Single Ambig)
 &rst
  ixpk= 675, nxpk= 25, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 513, 514, 513, 514,
 &end
#
#    0 AMB  25-3:676      0 AMB  25-1:676    4.50    (#    676:25  Double Ambig)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 501, 475,
 igr2= 513, 514, 513, 514, 513, 514,
 &end
#
#   29 LYS  HA            0 AMB  25-1:677    5.50    (#    677:25  Single Ambig)
 &rst
  ixpk= 677, nxpk= 25, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 513, 514, 513, 514,
 &end
#
#   31 THR  QG2          31 THR  HA          3.50    (#    678:25  Unique         2.14, 3.04 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 503, 504, 505,
 &end
#
#   32 GLY  HN           31 THR  HA          3.50    (#    679:25  Unique         2.15, 2.77 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 511, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           31 THR  HA          4.50    (#    680:25  Unique         2.76, 2.86 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 497, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 THR  HN           31 THR  HB          5.50    (#    681:25  Unique         2.66, 3.38 A)
 &rst
  ixpk= 681, nxpk= 25, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLY  HN           31 THR  HB          5.50    (#    682:25  Unique         2.64, 3.67 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 TRP  HA           31 THR  HB          4.50    (#    683:25  Unique         4.26, 4.48 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 429, 501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 THR  QG2          31 THR  HB          3.50    (#    684:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 503, 504, 505,
 &end
#
#   30 ARG  HG-          31 THR  QG2         4.50    (#    685:25  Unique         3.75, 6.10 A)
 &rst
  ixpk= 685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 480, 481,
 igr2= 503, 504, 505,
 &end
#
#    0 AMB  25-3:686     31 THR  QG2         3.50    (#    686:25  Single Ambig)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 477, 478, 477, 478,
 igr2= 503, 504, 505,
 &end
#
#    0 AMB  25-3:687     31 THR  QG2         4.50    (#    687:25  Single Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 419, 420, 419, 420,
 igr2= 503, 504, 505,
 &end
#
#    0 AMB  25-3:688     31 THR  QG2         2.80    (#    688:25  Single Ambig)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 499, 501,
 igr2= 503, 504, 505,
 &end
#
#    0 AMB  25-3:689     31 THR  QG2         5.50    (#    689:25  Single Ambig)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 473, 451,
 igr2= 503, 504, 505,
 &end
#
#   31 THR  HN           31 THR  QG2         5.50    (#    690:25  Unique         1.94, 3.63 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 503, 504, 505,
 &end
#
#   30 ARG  HN            0 AMB  25-1:691    3.50    (#    691:25  Single Ambig)
 &rst
  ixpk= 691, nxpk= 25, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 477, 478, 477, 478,
 &end
#
#   30 ARG  HA            0 AMB  25-1:692    3.50    (#    692:25  Single Ambig)
 &rst
  ixpk= 692, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 477, 478, 477, 478,
 &end
#
#   27 GLU  HA            0 AMB  25-1:693    3.50    (#    693:25  Single Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 477, 478, 477, 478,
 &end
#
#    0 AMB  25-3:694      0 AMB  25-1:694    3.50    (#    694:25  Double Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 483, 484, 483, 484, 483, 484,
 igr2= 477, 478, 477, 478, 477, 478,
 &end
#
#    0 AMB  25-3:695      0 AMB  25-1:695    3.50    (#    695:25  Double Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 483, 484, 483, 484,
 igr2= 480, 481, 480, 481,
 &end
#
#   10 PRO  HD-          10 PRO  HG-         3.50    (#    696:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 134, 135,
 igr2= 137, 138,
 &end
#
#    0 AMB  25-3:697      0 AMB  25-1:697    4.50    (#    697:25  Double Ambig)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 414, 404, 149,
 igr2= 480, 481, 480, 481, 137, 138,
 &end
#
#   30 ARG  HA           30 ARG  HG+         4.50    (#    698:25  Unique         2.48, 3.28 A)
 &rst
  ixpk= 698, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 480, 481,
 &end
#
#   30 ARG  HE           30 ARG  HG+         5.50    (#    699:25  Unique         2.31, 3.04 A)
 &rst
  ixpk= 699, nxpk= 25, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   30 ARG  HN           30 ARG  HG+         4.50    (#    700:25  Unique         1.94, 4.16 A)
 &rst
  ixpk= 700, nxpk= 25, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-3:701      0 AMB  25-1:701    5.50    (#    701:25  Double Ambig)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 473, 451,
 igr2= 483, 484, 483, 484,
 &end
#
#   30 ARG  HA            0 AMB  25-1:702    4.50    (#    702:25  Single Ambig)
 &rst
  ixpk= 702, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 483, 484, 483, 484,
 &end
#
#    0 AMB  25-3:703      0 AMB  25-1:703    4.50    (#    703:25  Double Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 414, 404, 453,
 igr2= 483, 484, 483, 484, 483, 484,
 &end
#
#    0 AMB  25-3:704      0 AMB  25-1:704    3.50    (#    704:25  Double Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 477, 478, 477, 478, 477, 478,
 igr2= 483, 484, 483, 484, 483, 484,
 &end
#
#    0 AMB  25-3:705      0 AMB  25-1:705    3.50    (#    705:25  Double Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 480, 481, 480, 481,
 igr2= 483, 484, 483, 484,
 &end
#
#   30 ARG  HG-           0 AMB  25-1:706    3.50    (#    706:25  Single Ambig)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 480, 481,
 igr2= 483, 484, 483, 484,
 &end
#
#   29 LYS  HG-          29 LYS  HA          3.50    (#    707:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 458, 459,
 &end
#
#    0 AMB  25-3:708     29 LYS  HA          4.50    (#    708:25  Single Ambig)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 461, 462, 461, 462,
 &end
#
#    0 AMB  25-3:709     29 LYS  HA          3.50    (#    709:25  Single Ambig)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 456, 455, 456,
 &end
#
#    0 AMB  25-3:710     29 LYS  HA          3.50    (#    710:25  Single Ambig)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 473,
 &end
#
#    0 AMB  25-3:711      0 AMB  25-1:711    4.50    (#    711:25  Double Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 473, 451,
 igr2= 458, 459, 458, 459,
 &end
#
#    0 AMB  25-3:712      0 AMB  25-1:712    4.50    (#    712:25  Double Ambig)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 404, 453,
 igr2= 458, 459, 458, 459,
 &end
#
#    0 AMB  25-3:713      0 AMB  25-1:713    4.50    (#    713:25  Double Ambig)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 464, 465, 464, 465,
 igr2= 458, 459, 458, 459,
 &end
#
#    0 AMB  25-3:714      0 AMB  25-1:714    3.50    (#    714:25  Double Ambig)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 455, 456, 455, 456,
 igr2= 458, 459, 458, 459,
 &end
#
#    0 AMB  25-3:715      0 AMB  25-1:715    2.80    (#    715:25  Double Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 461, 462, 461, 462,
 igr2= 458, 459, 458, 459,
 &end
#
#    0 AMB  25-3:716     29 LYS  HG-         2.80    (#    716:25  Single Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 461, 462, 461, 462,
 igr2= 458, 459,
 &end
#
#    0 AMB  25-3:717     29 LYS  HG-         3.50    (#    717:25  Single Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 455, 456, 455, 456,
 igr2= 458, 459,
 &end
#
#    0 AMB  25-3:718     29 LYS  HG-         4.50    (#    718:25  Single Ambig)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 464, 465, 464, 465,
 igr2= 458, 459,
 &end
#
#    0 AMB  25-3:719     29 LYS  HG-         4.50    (#    719:25  Single Ambig)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 404, 453,
 igr2= 458, 459,
 &end
#
#    0 AMB  25-3:720     29 LYS  HG-         4.50    (#    720:25  Single Ambig)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 473, 451,
 igr2= 458, 459,
 &end
#
#    7 ASP  HN            6 SER  HA          4.50    (#    721:25  Unique         3.08, 3.09 A)
 &rst
  ixpk= 721, nxpk= 25, iat=  90,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 SER  HN            6 SER  HA          4.50    (#    722:25  Unique         2.28, 2.28 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  79,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ILE  HN            6 SER  HA          5.50    (#    723:25  Unique         4.00, 4.04 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 102,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:724      6 SER  HA          5.50    (#    724:25  Single Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  92,  47,
 &end
#
#    6 SER  HB+           6 SER  HA          2.80    (#    725:25  Unique         2.32, 2.78 A)
 &rst
  ixpk= 725, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  83,  84,
 &end
#
#    6 SER  HB-           6 SER  HA          3.50    (#    726:25  Unique         2.32, 2.78 A)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  83,  84,
 &end
#
#    0 AMB  25-3:727      3 MET  QE          5.50    (#    727:25  Single Ambig)
 &rst
  ixpk= 727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  53,  55,
 igr2=  39,  40,  41,
 &end
#
#    6 SER  HN            5 PRO  HA          3.50    (#    728:25  Unique         3.34, 3.34 A)
 &rst
  ixpk= 728, nxpk= 25, iat=  79,  75, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PRO  HB+           5 PRO  HA          3.50    (#    729:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 729, nxpk= 25, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  72,  73,
 &end
#
#    5 PRO  HB-           5 PRO  HA          4.50    (#    730:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  72,  73,
 &end
#
#    0 AMB  25-3:731      5 PRO  HA          4.50    (#    731:25  Single Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  69,  70,  69,  70,
 &end
#
#    8 ILE  QD1           5 PRO  HD+         4.50    (#    732:25  Unique         2.24, 3.54 A)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 115, 116, 117,
 igr2=  66,  67,
 &end
#
#    8 ILE  HG1+          5 PRO  HD+         5.50    (#    733:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 112, 113,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:734      0 AMB  25-1:734    3.50    (#    734:25  Double Ambig)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  69,  70,  69,  70,
 igr2=  66,  67,  66,  67,
 &end
#
#    5 PRO  HB-           5 PRO  HD+         4.50    (#    735:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    5 PRO  HB+           5 PRO  HD+         4.50    (#    736:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:737      0 AMB  25-1:737    4.50    (#    737:25  Double Ambig)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 431, 432, 431, 432,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  25-3:738      0 AMB  25-1:738    5.50    (#    738:25  Double Ambig)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  75,  81,
 igr2=  66,  67,  66,  67,
 &end
#
#    4 PHE  HA            5 PRO  HD+         2.80    (#    739:25  Unique         2.33, 2.41 A)
 &rst
  ixpk= 739, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  66,  67,
 &end
#
#    4 PHE  HD2           5 PRO  HD+         5.50    (#    740:25  Unique         1.99, 2.23 A)
 &rst
  ixpk= 740, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:741      0 AMB  25-1:741    5.50    (#    741:25  Double Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 446, 102,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  25-3:742      5 PRO  HD-         5.50    (#    742:25  Single Ambig)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 446, 102,
 igr2=  66,  67,
 &end
#
#    4 PHE  HD2           5 PRO  HD-         4.50    (#    743:25  Unique         1.99, 2.23 A)
 &rst
  ixpk= 743, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  66,  67,
 &end
#
#    4 PHE  HA            5 PRO  HD-         3.50    (#    744:25  Unique         2.33, 2.41 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:745      5 PRO  HD-         5.50    (#    745:25  Single Ambig)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  75,  81,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:746      5 PRO  HD-         4.50    (#    746:25  Single Ambig)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 431, 432, 431, 432,
 igr2=  66,  67,
 &end
#
#    5 PRO  HB+           5 PRO  HD-         5.50    (#    747:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    5 PRO  HB-           5 PRO  HD-         4.50    (#    748:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:749      5 PRO  HD-         3.50    (#    749:25  Single Ambig)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  69,  70,  69,  70,
 igr2=  66,  67,
 &end
#
#    8 ILE  HG1+          5 PRO  HD-         5.50    (#    750:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 112, 113,
 igr2=  66,  67,
 &end
#
#    8 ILE  HG1-          5 PRO  HD-         5.50    (#    751:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 112, 113,
 igr2=  66,  67,
 &end
#
#    8 ILE  QD1           5 PRO  HD-         4.50    (#    752:25  Unique         2.24, 3.54 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 115, 116, 117,
 igr2=  66,  67,
 &end
#
#    0 AMB  25-3:753      5 PRO  HB-         4.50    (#    753:25  Single Ambig)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 115, 116, 117, 108, 109, 110,
 igr2=  72,  73,
 &end
#
#    8 ILE  HG1-          5 PRO  HB-         5.50    (#    754:25  Unique         4.14, 4.79 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 112, 113,
 igr2=  72,  73,
 &end
#
#    0 AMB  25-3:755      5 PRO  HB-         2.80    (#    755:25  Single Ambig)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,
 &end
#
#    5 PRO  HD-           5 PRO  HB-         3.50    (#    756:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    5 PRO  HD+           5 PRO  HB-         4.50    (#    757:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    5 PRO  HA            5 PRO  HB-         3.50    (#    758:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  72,  73,
 &end
#
#    0 AMB  25-3:759      5 PRO  HB-         5.50    (#    759:25  Single Ambig)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 102, 446,
 igr2=  72,  73,
 &end
#
#    6 SER  HN            5 PRO  HB-         5.50    (#    760:25  Unique         3.88, 4.17 A)
 &rst
  ixpk= 760, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    7 ASP  HN            5 PRO  HB-         5.50    (#    761:25  Unique         3.06, 3.77 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    6 SER  HN            0 AMB  25-1:762    5.50    (#    762:25  Single Ambig)
 &rst
  ixpk= 762, nxpk= 25, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  69,  70,  69,  70,
 &end
#
#    8 ILE  HN            0 AMB  25-1:763    5.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  69,  70,  69,  70,
 &end
#
#   28 TRP  HZ2           0 AMB  25-1:764    5.50    (#    764:25  Single Ambig)
 &rst
  ixpk= 764, nxpk= 25, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:765      0 AMB  25-1:765    5.50    (#    765:25  Double Ambig)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 435, 190, 192,
 igr2=  69,  70,  69,  70,  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:766      0 AMB  25-1:766    5.50    (#    766:25  Double Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  61,  59,
 igr2=  69,  70,  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:767      0 AMB  25-1:767    5.50    (#    767:25  Double Ambig)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47,  92,
 igr2=  69,  70,  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:768      0 AMB  25-1:768    4.50    (#    768:25  Double Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  75,  81,
 igr2=  69,  70,  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:769      0 AMB  25-1:769    5.50    (#    769:25  Double Ambig)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 431, 432, 431, 432, 431, 432,
 igr2=  69,  70,  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:770      0 AMB  25-1:770    3.50    (#    770:25  Double Ambig)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  66,  67,  66,  67,
 igr2=  69,  70,  69,  70,
 &end
#
#    5 PRO  HD-           0 AMB  25-1:771    3.50    (#    771:25  Single Ambig)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  66,  67,
 igr2=  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:772      0 AMB  25-1:772    3.50    (#    772:25  Double Ambig)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,  69,  70,
 &end
#
#   24 LEU  HB-           0 AMB  25-1:774    5.50    (#    774:25  Single Ambig)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 368, 369,
 igr2=  69,  70,  69,  70,
 &end
#
#    0 AMB  25-3:775      0 AMB  25-1:775    3.50    (#    775:25  Double Ambig)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 115, 116, 117, 108, 109, 110,
 igr2=  69,  70,  69,  70,  69,  70,
 &end
#
#   10 PRO  HG-          10 PRO  HD-         3.50    (#    776:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 137, 138,
 igr2= 134, 135,
 &end
#
#   10 PRO  HG+          10 PRO  HD-         3.50    (#    777:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 137, 138,
 igr2= 134, 135,
 &end
#
#    9 ASP  HB-          10 PRO  HD-         4.50    (#    778:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 125, 126,
 igr2= 134, 135,
 &end
#
#    9 ASP  HB+          10 PRO  HD-         4.50    (#    779:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 125, 126,
 igr2= 134, 135,
 &end
#
#    0 AMB  25-3:780     10 PRO  HD-         4.50    (#    780:25  Single Ambig)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 149, 104,
 igr2= 134, 135,
 &end
#
#    9 ASP  HA           10 PRO  HD-         2.80    (#    781:25  Unique         2.34, 2.42 A)
 &rst
  ixpk= 781, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 134, 135,
 &end
#
#   11 GLN  HN           10 PRO  HD-         4.50    (#    782:25  Unique         2.69, 3.27 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 134, 135,
 &end
#
#   11 GLN  HN           10 PRO  HD+         4.50    (#    783:25  Unique         2.69, 3.27 A)
 &rst
  ixpk= 783, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 134, 135,
 &end
#
#    9 ASP  HA           10 PRO  HD+         2.80    (#    784:25  Unique         2.34, 2.42 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 134, 135,
 &end
#
#    0 AMB  25-3:785      0 AMB  25-1:785    4.50    (#    785:25  Double Ambig)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 149, 104,
 igr2= 134, 135, 134, 135,
 &end
#
#   11 GLN  HN           10 PRO  HG+         4.50    (#    787:25  Unique         2.05, 2.86 A)
 &rst
  ixpk= 787, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 137, 138,
 &end
#
#   10 PRO  HD+          10 PRO  HG+         2.80    (#    788:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 134, 135,
 igr2= 137, 138,
 &end
#
#    0 AMB  25-3:791     15 GLU  HB-         3.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 228, 229, 228, 229,
 igr2= 225, 226,
 &end
#
#   12 VAL  HA           15 GLU  HB-         4.50    (#    792:25  Unique         2.64, 3.40 A)
 &rst
  ixpk= 792, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 225, 226,
 &end
#
#   15 GLU  HA           15 GLU  HB-         3.50    (#    793:25  Unique         2.25, 2.80 A)
 &rst
  ixpk= 793, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 225, 226,
 &end
#
#   15 GLU  HN           15 GLU  HB-         3.50    (#    794:25  Unique         2.10, 2.69 A)
 &rst
  ixpk= 794, nxpk= 25, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 225, 226,
 &end
#
#   15 GLU  HN           15 GLU  HB+         3.50    (#    795:25  Unique         2.10, 2.69 A)
 &rst
  ixpk= 795, nxpk= 25, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 225, 226,
 &end
#
#   15 GLU  HA           15 GLU  HB+         3.50    (#    796:25  Unique         2.25, 2.80 A)
 &rst
  ixpk= 796, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 225, 226,
 &end
#
#   12 VAL  HA           15 GLU  HB+         5.50    (#    797:25  Unique         2.64, 3.40 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 225, 226,
 &end
#
#    0 AMB  25-3:798      0 AMB  25-1:798    3.50    (#    798:25  Double Ambig)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 228, 229, 228, 229,
 igr2= 225, 226, 225, 226,
 &end
#
#    7 ASP  HN            7 ASP  HA          3.50    (#    799:25  Unique         2.95, 2.95 A)
 &rst
  ixpk= 799, nxpk= 25, iat=  90,  92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ILE  HN            7 ASP  HA          3.50    (#    800:25  Unique         3.42, 3.43 A)
 &rst
  ixpk= 800, nxpk= 25, iat= 102,  92, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ASP  HB+           7 ASP  HA          2.80    (#    801:25  Unique         2.39, 2.80 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  94,  95,
 &end
#
#   24 LEU  HN           24 LEU  HG          3.50    (#    802:25  Unique         3.62, 3.63 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ARG  HA           30 ARG  HG-         4.50    (#    803:25  Unique         2.48, 3.28 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 480, 481,
 &end
#
#   27 GLU  HA           30 ARG  HG-         4.50    (#    804:25  Unique         3.20, 4.73 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-3:805     30 ARG  HG-         3.50    (#    805:25  Single Ambig)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 483, 484, 483, 484,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-3:806     24 LEU  HG          4.50    (#    806:25  Single Ambig)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 366, 296,
 &end
#
#    0 AMB  25-3:807     30 ARG  HG-         2.80    (#    807:25  Single Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 477, 478, 477, 478, 455, 456,
 igr2= 480, 481,
 &end
#
#   20 VAL  QG-          24 LEU  HG          4.50    (#    808:25  Unique         2.69, 4.83 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  25-3:809     24 LEU  HG          2.80    (#    809:25  Single Ambig)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#    0 AMB  25-3:810      2 HIS  HA          3.50    (#    810:25  Single Ambig)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  15,  16,  15,  16,
 &end
#
#    2 HIS  HA            0 AMB  25-1:811    4.50    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=   6,   7,   6,   7,
 &end
#
#    2 HIS  HA            0 AMB  25-1:812    4.50    (#    812:25  Single Ambig)
 &rst
  ixpk= 812, nxpk= 25, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  15,  16,  15,  16,
 &end
#
#    9 ASP  HN            9 ASP  HB+         3.50    (#    813:25  Unique         2.09, 2.83 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#   12 VAL  HN            9 ASP  HB+         5.50    (#    814:25  Unique         2.39, 3.00 A)
 &rst
  ixpk= 814, nxpk= 25, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 125, 126,
 &end
#
#    9 ASP  HA            9 ASP  HB+         3.50    (#    815:25  Unique         2.34, 2.82 A)
 &rst
  ixpk= 815, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#    0 AMB  25-3:816      0 AMB  25-1:816    5.50    (#    816:25  Double Ambig)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 104, 149,
 igr2= 125, 126, 125, 126,
 &end
#
#   10 PRO  HD+           9 ASP  HB+         5.50    (#    817:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 134, 135,
 igr2= 125, 126,
 &end
#
#   12 VAL  HB            9 ASP  HB+         4.50    (#    818:25  Unique         2.93, 3.60 A)
 &rst
  ixpk= 818, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 125, 126,
 &end
#
#   12 VAL  QG-           9 ASP  HB+         3.50    (#    819:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 170, 171, 172, 174, 175, 176,
 igr2= 125, 126,
 &end
#
#   12 VAL  QG-           9 ASP  HB-         4.50    (#    820:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 820, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 170, 171, 172, 174, 175, 176,
 igr2= 125, 126,
 &end
#
#    0 AMB  25-3:821      9 ASP  HB-         5.50    (#    821:25  Single Ambig)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 151, 152, 151, 152,
 igr2= 125, 126,
 &end
#
#   12 VAL  HB            9 ASP  HB-         4.50    (#    822:25  Unique         2.93, 3.60 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 125, 126,
 &end
#
#   10 PRO  HD+           9 ASP  HB-         4.50    (#    823:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 134, 135,
 igr2= 125, 126,
 &end
#
#    0 AMB  25-3:824      9 ASP  HB-         5.50    (#    824:25  Single Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 104, 149,
 igr2= 125, 126,
 &end
#
#    9 ASP  HA            9 ASP  HB-         3.50    (#    825:25  Unique         2.34, 2.82 A)
 &rst
  ixpk= 825, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#   12 VAL  HN            9 ASP  HB-         5.50    (#    826:25  Unique         2.39, 3.00 A)
 &rst
  ixpk= 826, nxpk= 25, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 125, 126,
 &end
#
#    9 ASP  HN            9 ASP  HB-         3.50    (#    827:25  Unique         2.09, 2.83 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 125, 126,
 &end
#
#    0 AMB  25-3:828      0 AMB  25-1:828    2.80    (#    828:25  Double Ambig)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 416, 417, 416, 417, 416, 417,
 igr2= 419, 420, 419, 420, 419, 420,
 &end
#
#   27 GLU  HA            0 AMB  25-1:829    4.50    (#    829:25  Single Ambig)
 &rst
  ixpk= 829, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 419, 420, 419, 420,
 &end
#
#    0 AMB  25-3:830      0 AMB  25-1:830    4.50    (#    830:25  Double Ambig)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 412, 451,
 igr2= 419, 420, 419, 420, 419, 420,
 &end
#
#   14 TYR  HA            0 AMB  25-1:831    5.50    (#    831:25  Single Ambig)
 &rst
  ixpk= 831, nxpk= 25, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 184, 185, 184, 185,
 &end
#
#   20 VAL  HB           20 VAL  HA          3.50    (#    832:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 832, nxpk= 25, iat= 298, 296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 PRO  HG-          10 PRO  HD+         3.50    (#    833:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 137, 138,
 igr2= 134, 135,
 &end
#
#   10 PRO  HG+          10 PRO  HD+         2.80    (#    834:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 137, 138,
 igr2= 134, 135,
 &end
#
#    9 ASP  HB-          10 PRO  HD+         4.50    (#    835:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 125, 126,
 igr2= 134, 135,
 &end
#
#    9 ASP  HB+          10 PRO  HD+         4.50    (#    836:25  Unique         1.82, 3.51 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 125, 126,
 igr2= 134, 135,
 &end
#
#    0 AMB  25-3:837     17 PRO  HD-         4.50    (#    837:25  Single Ambig)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 243, 314, 315,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:838      8 ILE  HG1-        4.50    (#    838:25  Single Ambig)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  69,  70,  69,  70,
 igr2= 112, 113,
 &end
#
#    8 ILE  HN            8 ILE  QG2         4.50    (#    839:25  Unique         3.53, 3.99 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 108, 109, 110,
 &end
#
#   16 LEU  QD+          16 LEU  HG          2.80    (#    840:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 840, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  HB+          17 PRO  HD+         4.50    (#    841:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 240, 241,
 igr2= 256, 257,
 &end
#
#   16 LEU  HB+          17 PRO  HD-         3.50    (#    842:25  Unique         1.94, 3.36 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 240, 241,
 igr2= 256, 257,
 &end
#
#    0 AMB  25-3:843     19 ALA  QB          4.50    (#    843:25  Single Ambig)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 259, 260, 259, 260, 273, 274,
 igr2= 288, 289, 290,
 &end
#
#   23 GLU  HA           24 LEU  QD+         5.50    (#    844:25  Unique         4.96, 6.76 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#   23 GLU  HG+          24 LEU  QD-         5.50    (#    845:25  Unique         3.00, 6.89 A)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 356, 357,
 igr2= 373, 374, 375, 377, 378, 379,
 &end
#
#    0 AMB  25-3:846     15 GLU  HA          4.50    (#    846:25  Single Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 228, 229, 228, 229,
 &end
#
#   20 VAL  HN           19 ALA  HA          4.50    (#    847:25  Unique         3.57, 3.57 A)
 &rst
  ixpk= 847, nxpk= 25, iat= 294, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:848     19 ALA  HA          4.50    (#    848:25  Single Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 354, 259, 260, 259, 260,
 &end
#
#   12 VAL  HB           12 VAL  QG-         2.80    (#    849:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 849, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    9 ASP  HB-          12 VAL  QG-         4.50    (#    850:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 125, 126,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    9 ASP  HB+          12 VAL  QG-         3.50    (#    851:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 125, 126,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  25-3:852      0 AMB  25-1:852    2.80    (#    852:25  Double Ambig)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 166, 296,
 igr2= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306,
 &end
#
#   12 VAL  HN           12 VAL  QG-         3.50    (#    853:25  Unique         1.94, 3.69 A)
 &rst
  ixpk= 853, nxpk= 25, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#   13 PHE  HN           12 VAL  QG-         4.50    (#    854:25  Unique         3.19, 4.19 A)
 &rst
  ixpk= 854, nxpk= 25, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    9 ASP  HN           12 VAL  QG-         4.50    (#    855:25  Unique         3.12, 4.58 A)
 &rst
  ixpk= 855, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  25-3:856      0 AMB  25-1:856    4.50    (#    856:25  Double Ambig)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 317, 318, 243, 314, 315,
 igr2= 256, 257, 256, 257, 256, 257,
 &end
#
#   30 ARG  HE            0 AMB  25-1:857    5.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 483, 484, 483, 484,
 &end
#
#    0 AMB  25-3:858      0 AMB  25-1:858    5.50    (#    858:25  Double Ambig)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 151, 152, 151, 152,
 igr2= 125, 126, 125, 126,
 &end
#
#   12 VAL  QG+           9 ASP  HB+         5.50    (#    859:25  Unique         2.00, 4.31 A)
 &rst
  ixpk= 859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171, 172, 174, 175, 176,
 igr2= 125, 126,
 &end
#
#    7 ASP  HA            7 ASP  HB-         4.50    (#    860:25  Unique         2.39, 2.80 A)
 &rst
  ixpk= 860, nxpk= 25, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  94,  95,
 &end
#
#    7 ASP  HA            7 ASP  HB+         4.50    (#    861:25  Unique         2.39, 2.80 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  94,  95,
 &end
#
#   23 GLU  HN           23 GLU  HG-         5.50    (#    862:25  Unique         2.31, 3.70 A)
 &rst
  ixpk= 862, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 356, 357,
 &end
#
#   23 GLU  HN           23 GLU  HG+         5.50    (#    863:25  Unique         2.31, 3.70 A)
 &rst
  ixpk= 863, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 356, 357,
 &end
#
#   23 GLU  HA           23 GLU  HG-         5.50    (#    864:25  Unique         2.13, 2.75 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 356, 357,
 &end
#
#   21 GLN  HN           21 GLN  HG+         3.50    (#    865:25  Unique         2.52, 3.40 A)
 &rst
  ixpk= 865, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 317, 318,
 &end
#
#   21 GLN  HE2-         21 GLN  HG+         3.50    (#    866:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:867      0 AMB  25-1:867    4.50    (#    867:25  Double Ambig)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 194, 192,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  25-3:868      0 AMB  25-1:868    4.50    (#    868:25  Double Ambig)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 322, 323, 196,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  25-3:869      0 AMB  25-1:869    4.50    (#    869:25  Double Ambig)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 271, 296,
 igr2= 317, 318, 317, 318,
 &end
#
#   21 GLN  HA           21 GLN  HG+         3.50    (#    870:25  Unique         2.08, 2.66 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 317, 318,
 &end
#
#    0 AMB  25-3:871      0 AMB  25-1:871    3.50    (#    871:25  Double Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 451, 473,
 igr2= 455, 456, 455, 456, 455, 456,
 &end
#
#   11 GLN  HN           10 PRO  HB-         4.50    (#    872:25  Unique         3.04, 3.52 A)
 &rst
  ixpk= 872, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 140, 141,
 &end
#
#   11 GLN  HN           10 PRO  HB+         5.50    (#    873:25  Unique         3.04, 3.52 A)
 &rst
  ixpk= 873, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 140, 141,
 &end
#
#    0 AMB  25-3:874      0 AMB  25-1:874    5.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 440, 322, 323,
 igr2=  72,  73, 298,
 &end
#
#   14 TYR  HE2          10 PRO  HB+         4.50    (#    875:25  Unique         2.88, 3.19 A)
 &rst
  ixpk= 875, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 140, 141,
 &end
#
#   14 TYR  HE2          10 PRO  HB-         5.50    (#    876:25  Unique         2.88, 3.19 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 140, 141,
 &end
#
#    0 AMB  25-3:877     10 PRO  HB-         3.50    (#    877:25  Single Ambig)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 143, 134, 135,
 igr2= 140, 141,
 &end
#
#    0 AMB  25-3:878      0 AMB  25-1:878    3.50    (#    878:25  Double Ambig)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 143, 134, 135,
 igr2= 140, 141, 140, 141,
 &end
#
#   10 PRO  HD+          10 PRO  HB-         3.50    (#    879:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 134, 135,
 igr2= 140, 141,
 &end
#
#    0 AMB  25-3:880     10 PRO  HB-         5.50    (#    880:25  Single Ambig)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 125, 126, 184, 185, 184, 185,  49,  50,
 igr2= 140, 141,
 &end
#
#   10 PRO  HG-          10 PRO  HB-         3.50    (#    881:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 137, 138,
 igr2= 140, 141,
 &end
#
#    0 AMB  25-3:882      0 AMB  25-1:882    2.80    (#    882:25  Double Ambig)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 453, 404,
 igr2= 455, 456, 455, 456, 455, 456,
 &end
#
#    0 AMB  25-3:883      0 AMB  25-1:883    3.50    (#    883:25  Double Ambig)
 &rst
  ixpk= 883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 180, 327,
 igr2= 166, 296,
 &end
#
#    0 AMB  25-3:884      0 AMB  25-1:884    3.50    (#    884:25  Double Ambig)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 170, 171, 172, 174, 175, 176, 300, 301, 302, 304,
       305, 306,
 igr2= 166, 296,
 &end
#
#    4 PHE  HE2           0 AMB  25-1:885    5.50    (#    885:25  Single Ambig)
 &rst
  ixpk= 885, nxpk= 25, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 431, 432, 431, 432,
 &end
#
#    8 ILE  HN            8 ILE  HA          3.50    (#    886:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 886, nxpk= 25, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 GLN  HE2+         18 GLU  HA          4.50    (#    887:25  Unique         3.12, 4.60 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   21 GLN  HA           25 LEU  HG          5.50    (#    888:25  Unique         3.26, 3.57 A)
 &rst
  ixpk= 888, nxpk= 25, iat= 312, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 ALA  QB           23 GLU  HA          3.50    (#    889:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 406, 407, 408,
 &end
#
#   26 ALA  HN           23 GLU  HA          4.50    (#    890:25  Unique         3.60, 3.95 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 402, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           23 GLU  HA          3.50    (#    891:25  Unique         2.79, 2.82 A)
 &rst
  ixpk= 891, nxpk= 25, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HN           23 GLU  HA          4.50    (#    892:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 892, nxpk= 25, iat= 364, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:893     23 GLU  HA          2.80    (#    893:25  Single Ambig)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 353, 354, 353, 354,
 &end
#
#   23 GLU  HG+          23 GLU  HA          3.50    (#    894:25  Unique         2.13, 2.75 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 356, 357,
 &end
#
#    0 AMB  25-3:895      0 AMB  25-1:895    3.50    (#    895:25  Double Ambig)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 356, 357, 154, 155,
 igr2= 351, 149,
 &end
#
#    0 AMB  25-3:896     27 GLU  HA          3.50    (#    896:25  Single Ambig)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 419, 420, 419, 420,
 &end
#
#    0 AMB  25-3:897      0 AMB  25-1:897    2.80    (#    897:25  Double Ambig)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 416, 417, 416, 417, 151, 152, 151, 152,
 igr2= 414, 149,
 &end
#
#    0 AMB  25-3:898     27 GLU  HA          3.50    (#    898:25  Single Ambig)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 477, 478, 477, 478,
 &end
#
#   29 LYS  HG-          30 ARG  HA          5.50    (#    899:25  Unique         3.61, 5.12 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 458, 459,
 &end
#
#    0 AMB  25-3:900      0 AMB  25-1:900    3.50    (#    900:25  Double Ambig)
 &rst
  ixpk= 900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  21, 310,
 igr2=  32,  33,  32,  33, 331, 332, 331, 332,
 &end
#
#    0 AMB  25-3:901     24 LEU  HG          4.50    (#    901:25  Single Ambig)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 368, 369, 245, 246, 247, 249, 250, 251,
 &end
#
# 30 ARG HN 26 ALA O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 410, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 30 ARG N 26 ALA O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 410, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 29 LYS HN 25 LEU O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 400, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 29 LYS N 25 LEU O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 400, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 28 TRP HN 24 LEU O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 381, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 28 TRP N 24 LEU O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 381, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 27 GLU HN 23 GLU O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 362, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 27 GLU N 23 GLU O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 362, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 26 ALA HN 22 LYS O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 347, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 26 ALA N 22 LYS O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 347, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 25 LEU HN 21 GLN O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 325, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 25 LEU N 21 GLN O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 325, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 24 LEU HN 20 VAL O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 308, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 24 LEU N 20 VAL O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 308, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 23 GLU HN 19 ALA O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 292, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 23 GLU N 19 ALA O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 292, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 22 LYS HN 18 GLU O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 282, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 22 LYS N 18 GLU O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 282, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 15 GLU HN 11 GLN O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 162, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 15 GLU N 11 GLN O 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 162, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 14 TYR HN 10 PRO O 2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 145, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
# 14 TYR N 10 PRO O 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 145, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 13 PHE HZ 20 VAL QQG 4.50  (# 24:65 )
 &rst
  ixpk= 24, nxpk= 65, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  15-3:0        4 PHE  HN          4.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  32,  33,  32,  33,
 &end
#
#    4 PHE  HB+           4 PHE  HN          3.50    (#      1:15  Unique         2.21, 2.93 A)
 &rst
  ixpk= 1, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  49,  50,
 &end
#
#    4 PHE  HB-           4 PHE  HN          4.50    (#      2:15  Unique         2.21, 2.93 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  49,  50,
 &end
#
#    3 MET  HA            4 PHE  HN          3.50    (#      3:15  Unique         2.42, 3.34 A)
 &rst
  ixpk= 3, nxpk= 15, iat=  30,  45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:4        4 PHE  HN          5.50    (#      4:15  Single Ambig)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  53,  61,
 &end
#
#    8 ILE  HN            7 ASP  HN          4.50    (#      5:15  Unique         1.86, 1.87 A)
 &rst
  ixpk= 5, nxpk= 15, iat= 102,  90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ASP  HA            7 ASP  HN          3.50    (#      6:15  Unique         2.95, 2.95 A)
 &rst
  ixpk= 6, nxpk= 15, iat=  92,  90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:7        7 ASP  HN          4.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  75,
 &end
#
#    6 SER  HB+           7 ASP  HN          4.50    (#      8:15  Unique         3.88, 4.14 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  83,  84,
 &end
#
#    7 ASP  HB+           7 ASP  HN          3.50    (#      9:15  Unique         2.41, 2.92 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  94,  95,
 &end
#
#    5 PRO  HB+           7 ASP  HN          5.50    (#     10:15  Unique         3.06, 3.77 A)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  72,  73,
 &end
#
#    5 PRO  HB-           7 ASP  HN          4.50    (#     11:15  Unique         3.06, 3.77 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  72,  73,
 &end
#
#    0 AMB  15-3:13       8 ILE  HN          4.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 108, 109, 110, 115, 116, 117,
 &end
#
#    8 ILE  HG1-          8 ILE  HN          4.50    (#     14:15  Unique         1.97, 2.23 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 112, 113,
 &end
#
#    8 ILE  HG1+          8 ILE  HN          4.50    (#     15:15  Unique         1.97, 2.23 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 112, 113,
 &end
#
#    0 AMB  15-3:16       8 ILE  HN          3.50    (#     16:15  Single Ambig)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 106,  72,  73,
 &end
#
#    0 AMB  15-3:17       8 ILE  HN          4.50    (#     17:15  Single Ambig)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  94,  95,  49,  50,
 &end
#
#    8 ILE  HA            8 ILE  HN          4.50    (#     18:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 104, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ASP  HA            8 ILE  HN          4.50    (#     19:15  Unique         3.42, 3.43 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  92, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ASP  HN            8 ILE  HN          4.50    (#     20:15  Unique         1.86, 1.87 A)
 &rst
  ixpk= 20, nxpk= 15, iat=  90, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:21       9 ASP  HN          4.50    (#     21:15  Single Ambig)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 102, 164,
 &end
#
#    9 ASP  HA            9 ASP  HN          3.50    (#     22:15  Unique         2.77, 2.78 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 123, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ILE  HA            9 ASP  HN          2.80    (#     23:15  Unique         2.14, 2.14 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ASP  HB+           9 ASP  HN          3.50    (#     24:15  Unique         2.09, 2.83 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 125, 126,
 &end
#
#    9 ASP  HB-           9 ASP  HN          3.50    (#     25:15  Unique         2.09, 2.83 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 125, 126,
 &end
#
#   12 VAL  HB            9 ASP  HN          4.50    (#     26:15  Unique         3.40, 3.46 A)
 &rst
  ixpk= 26, nxpk= 15, iat= 168, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ILE  HB            9 ASP  HN          4.50    (#     27:15  Unique         3.44, 3.46 A)
 &rst
  ixpk= 27, nxpk= 15, iat= 106, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ILE  HG1+          9 ASP  HN          5.50    (#     28:15  Unique         4.68, 5.08 A)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 112, 113,
 &end
#
#    8 ILE  HG1-          9 ASP  HN          5.50    (#     29:15  Unique         4.68, 5.08 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 112, 113,
 &end
#
#   12 VAL  QG-           9 ASP  HN          5.50    (#     30:15  Unique         3.12, 4.58 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  15-3:31       9 ASP  HN          4.50    (#     31:15  Single Ambig)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 108, 109, 110, 115, 116, 117,
 &end
#
#   12 VAL  QG-          11 GLN  HN          5.50    (#     32:15  Unique         3.96, 6.06 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#   10 PRO  HG-          11 GLN  HN          5.50    (#     33:15  Unique         2.05, 2.86 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 138,
 &end
#
#    0 AMB  15-3:34      11 GLN  HN          3.50    (#     34:15  Single Ambig)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 151, 152, 151, 152,
 &end
#
#   11 GLN  HG-          11 GLN  HN          4.50    (#     35:15  Unique         1.97, 3.48 A)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 154, 155,
 &end
#
#    9 ASP  HB+          11 GLN  HN          4.50    (#     36:15  Unique         2.74, 3.58 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 125, 126,
 &end
#
#   10 PRO  HD+          11 GLN  HN          4.50    (#     37:15  Unique         2.69, 3.27 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 134, 135,
 &end
#
#   11 GLN  HA           11 GLN  HN          3.50    (#     38:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HA           11 GLN  HN          4.50    (#     39:15  Unique         4.46, 4.47 A)
 &rst
  ixpk= 39, nxpk= 15, iat= 123, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HN           11 GLN  HN          3.50    (#     40:15  Unique         2.63, 2.64 A)
 &rst
  ixpk= 40, nxpk= 15, iat= 164, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLN  HN           12 VAL  HN          3.50    (#     41:15  Unique         2.63, 2.64 A)
 &rst
  ixpk= 41, nxpk= 15, iat= 147, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 PHE  HN           12 VAL  HN          3.50    (#     42:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 42, nxpk= 15, iat= 180, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLN  HA           12 VAL  HN          4.50    (#     43:15  Unique         3.53, 3.53 A)
 &rst
  ixpk= 43, nxpk= 15, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:44      12 VAL  HN          4.50    (#     44:15  Single Ambig)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 166, 134, 135,
 &end
#
#    9 ASP  HB+          12 VAL  HN          4.50    (#     45:15  Unique         2.39, 3.00 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 125, 126,
 &end
#
#   11 GLN  HG+          12 VAL  HN          5.50    (#     46:15  Unique         2.20, 4.67 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 154, 155,
 &end
#
#   12 VAL  HB           12 VAL  HN          3.50    (#     47:15  Unique         2.57, 2.64 A)
 &rst
  ixpk= 47, nxpk= 15, iat= 168, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  QG-          12 VAL  HN          3.50    (#     48:15  Unique         1.94, 3.69 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  15-3:49      13 PHE  HN          4.50    (#     49:15  Single Ambig)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 115, 116, 117, 108, 109, 110,
 &end
#
#   12 VAL  QG+          13 PHE  HN          4.50    (#     50:15  Unique         3.19, 4.19 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 170, 171, 172, 174, 175, 176,
 &end
#
#    0 AMB  15-3:51      13 PHE  HN          5.50    (#     51:15  Single Ambig)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 225, 226, 137, 138,
 &end
#
#   12 VAL  HB           13 PHE  HN          3.50    (#     52:15  Unique         2.10, 2.12 A)
 &rst
  ixpk= 52, nxpk= 15, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:53      13 PHE  HN          2.80    (#     53:15  Single Ambig)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 184, 185, 184, 185,
 &end
#
#   12 VAL  HA           13 PHE  HN          4.50    (#     54:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 54, nxpk= 15, iat= 166, 180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:55      13 PHE  HN          3.50    (#     55:15  Single Ambig)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 182, 143,
 &end
#
#    0 AMB  15-3:56      13 PHE  HN          5.50    (#     56:15  Single Ambig)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 149, 104,
 &end
#
#    0 AMB  15-3:57      13 PHE  HN          4.50    (#     57:15  Single Ambig)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 188, 196,
 &end
#
#   12 VAL  HN           13 PHE  HN          3.50    (#     58:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 58, nxpk= 15, iat= 164, 180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLN  HN           13 PHE  HN          4.50    (#     59:15  Unique         4.64, 4.64 A)
 &rst
  ixpk= 59, nxpk= 15, iat= 147, 180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:60       0 AMB  15-1:60     3.50    (#     60:15  Double Ambig)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 221, 102,
 igr2= 200,  79,
 &end
#
#    0 AMB  15-3:61      14 TYR  HN          4.50    (#     61:15  Single Ambig)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 217, 208,
 &end
#
#    0 AMB  15-3:62      14 TYR  HN          4.50    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 196, 322, 323, 188,
 &end
#
#   14 TYR  HA           14 TYR  HN          4.50    (#     63:15  Unique         2.78, 2.78 A)
 &rst
  ixpk= 63, nxpk= 15, iat= 202, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:64       6 SER  HN          3.50    (#     64:15  Single Ambig)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81,  75,
 &end
#
#    0 AMB  15-3:65       0 AMB  15-1:65     4.50    (#     65:15  Double Ambig)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  83,  84, 166,
 igr2=  79, 200,
 &end
#
#   14 TYR  HB+          14 TYR  HN          4.50    (#     66:15  Unique         2.23, 2.90 A)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 204, 205,
 &end
#
#   14 TYR  HB-          14 TYR  HN          3.50    (#     67:15  Unique         2.23, 2.90 A)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 204, 205,
 &end
#
#    0 AMB  15-3:68       0 AMB  15-1:68     3.50    (#     68:15  Double Ambig)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  49,  50, 184, 185, 184, 185,
 igr2=  79, 200,
 &end
#
#    0 AMB  15-3:69       0 AMB  15-1:69     4.50    (#     69:15  Double Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  72,  73, 225, 226, 140, 141,
 igr2=  79, 200,
 &end
#
#   15 GLU  HB-          15 GLU  HN          3.50    (#     70:15  Unique         2.10, 2.69 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 225, 226,
 &end
#
#   15 GLU  HB+          15 GLU  HN          4.50    (#     71:15  Unique         2.10, 2.69 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 225, 226,
 &end
#
#    0 AMB  15-3:72      15 GLU  HN          4.50    (#     72:15  Single Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 228, 229, 228, 229,
 &end
#
#   14 TYR  HB-          15 GLU  HN          4.50    (#     73:15  Unique         2.92, 3.24 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 204, 205,
 &end
#
#   14 TYR  HB+          15 GLU  HN          5.50    (#     74:15  Unique         2.92, 3.24 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 204, 205,
 &end
#
#   12 VAL  HA           15 GLU  HN          4.50    (#     75:15  Unique         3.63, 3.66 A)
 &rst
  ixpk= 75, nxpk= 15, iat= 166, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:76      15 GLU  HN          3.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 223, 202,
 &end
#
#   14 TYR  HN           15 GLU  HN          4.50    (#     77:15  Unique         2.71, 2.71 A)
 &rst
  ixpk= 77, nxpk= 15, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HE2-         16 LEU  HN          4.50    (#     78:15  Unique         3.18, 4.78 A)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   21 GLN  HE2+         16 LEU  HN          5.50    (#     79:15  Unique         3.18, 4.78 A)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   16 LEU  HA           16 LEU  HN          4.50    (#     80:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 238, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:81      16 LEU  HN          4.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 223, 202,
 &end
#
#    0 AMB  15-3:82      16 LEU  HN          4.50    (#     82:15  Single Ambig)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 182, 256, 257,
 &end
#
#   15 GLU  HB+          16 LEU  HN          4.50    (#     83:15  Unique         3.24, 3.65 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 225, 226,
 &end
#
#   16 LEU  HG           16 LEU  HN          3.50    (#     84:15  Unique         2.21, 2.25 A)
 &rst
  ixpk= 84, nxpk= 15, iat= 243, 236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HB+          16 LEU  HN          3.50    (#     85:15  Unique         2.53, 3.07 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#   16 LEU  HB-          16 LEU  HN          4.50    (#     86:15  Unique         2.53, 3.07 A)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 240, 241,
 &end
#
#   16 LEU  QD-          16 LEU  HN          4.50    (#     87:15  Unique         3.23, 4.24 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 LEU  QD+          16 LEU  HN          4.50    (#     88:15  Unique         3.23, 4.24 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PRO  HB-          18 GLU  HN          5.50    (#     89:15  Unique         2.45, 2.92 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 262, 263,
 &end
#
#   18 GLU  HB+          18 GLU  HN          3.50    (#     90:15  Unique         2.34, 2.53 A)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 273, 274,
 &end
#
#   18 GLU  HG+          18 GLU  HN          4.50    (#     91:15  Unique         4.32, 4.44 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 276, 277,
 &end
#
#   17 PRO  HB+          18 GLU  HN          4.50    (#     92:15  Unique         2.45, 2.92 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 262, 263,
 &end
#
#   18 GLU  HA           18 GLU  HN          4.50    (#     93:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 93, nxpk= 15, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HA           18 GLU  HN          3.50    (#     94:15  Unique         2.39, 2.46 A)
 &rst
  ixpk= 94, nxpk= 15, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           19 ALA  HN          4.50    (#     95:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 95, nxpk= 15, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ALA  HA           19 ALA  HN          3.50    (#     96:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HA           19 ALA  HN          4.50    (#     97:15  Unique         3.48, 3.50 A)
 &rst
  ixpk= 97, nxpk= 15, iat= 271, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HB+          19 ALA  HN          5.50    (#     98:15  Unique         2.33, 3.27 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 262, 263,
 &end
#
#   18 GLU  HB-          19 ALA  HN          3.50    (#     99:15  Unique         2.53, 3.44 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 273, 274,
 &end
#
#   17 PRO  HB-          19 ALA  HN          4.50    (#    100:15  Unique         2.33, 3.27 A)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 262, 263,
 &end
#
#   19 ALA  QB           19 ALA  HN          3.50    (#    101:15  Unique         2.07, 2.88 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 288, 289, 290,
 &end
#
#   20 VAL  QG+          19 ALA  HN          5.50    (#    102:15  Unique         4.76, 6.42 A)
 &rst
  ixpk= 102, nxpk= 15, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  QG+          20 VAL  HN          3.50    (#    103:15  Unique         2.10, 3.78 A)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   19 ALA  QB           20 VAL  HN          3.50    (#    104:15  Unique         2.03, 2.99 A)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 288, 289, 290,
 &end
#
#   17 PRO  HB-          20 VAL  HN          3.50    (#    105:15  Unique         3.28, 4.03 A)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 262, 263,
 &end
#
#   20 VAL  HB           20 VAL  HN          3.50    (#    106:15  Unique         2.44, 2.51 A)
 &rst
  ixpk= 106, nxpk= 15, iat= 298, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 PRO  HB+          20 VAL  HN          4.50    (#    107:15  Unique         3.28, 4.03 A)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 262, 263,
 &end
#
#   17 PRO  HD-          20 VAL  HN          5.50    (#    108:15  Unique         3.76, 4.40 A)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 257,
 &end
#
#   20 VAL  HA           20 VAL  HN          3.50    (#    109:15  Unique         2.75, 2.77 A)
 &rst
  ixpk= 109, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ALA  HA           20 VAL  HN          4.50    (#    110:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 110, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:111     20 VAL  HN          5.50    (#    111:15  Single Ambig)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265, 238,
 &end
#
#   21 GLN  HN           20 VAL  HN          3.50    (#    112:15  Unique         2.73, 2.75 A)
 &rst
  ixpk= 112, nxpk= 15, iat= 310, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ALA  HN           20 VAL  HN          4.50    (#    113:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 113, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 VAL  HN           21 GLN  HN          3.50    (#    114:15  Unique         2.73, 2.75 A)
 &rst
  ixpk= 114, nxpk= 15, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 GLN  HE2-         21 GLN  HN          5.50    (#    115:15  Unique         4.69, 5.61 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-3:116     21 GLN  HN          4.50    (#    116:15  Single Ambig)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 296, 271,
 &end
#
#   21 GLN  HA           21 GLN  HN          4.50    (#    117:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 117, nxpk= 15, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:118     21 GLN  HN          3.50    (#    118:15  Single Ambig)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 314, 315, 298,
 &end
#
#    0 AMB  15-3:119      0 AMB  15-1:119    2.80    (#    119:15  Double Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 314, 315, 455, 456, 455, 456, 317, 318,
 igr2= 310, 451,
 &end
#
#    0 AMB  15-3:120      0 AMB  15-1:120    4.50    (#    120:15  Double Ambig)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 240, 241, 461, 462, 461, 462, 368, 369,
 igr2= 310, 451,
 &end
#
#    0 AMB  15-3:121     21 GLN  HN          3.50    (#    121:15  Single Ambig)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 317, 318, 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  15-3:122     22 LYS  HN          4.50    (#    122:15  Single Ambig)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 392, 393, 394, 396, 397, 398, 300, 301, 302, 304,
       305, 306,
 &end
#
#   22 LYS  HD-          22 LYS  HN          4.50    (#    123:15  Unique         2.45, 4.10 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 337, 338,
 &end
#
#    0 AMB  15-3:124     22 LYS  HN          3.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 337, 338, 334, 335,
 &end
#
#    0 AMB  15-3:125     22 LYS  HN          2.80    (#    125:15  Single Ambig)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 331, 332, 331, 332,
 &end
#
#   21 GLN  HB-          22 LYS  HN          3.50    (#    126:15  Unique         2.63, 3.07 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#   21 GLN  HA           22 LYS  HN          4.50    (#    127:15  Unique         3.52, 3.53 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 312, 327, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:128     22 LYS  HN          4.50    (#    128:15  Single Ambig)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 271, 296,
 &end
#
#   22 LYS  HA           22 LYS  HN          3.50    (#    129:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           22 LYS  HN          5.50    (#    130:15  Unique         4.27, 4.32 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 294, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HN           22 LYS  HN          3.50    (#    131:15  Unique         2.63, 2.69 A)
 &rst
  ixpk= 131, nxpk= 15, iat= 349, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HN           23 GLU  HN          3.50    (#    132:15  Unique         2.66, 2.77 A)
 &rst
  ixpk= 132, nxpk= 15, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 LYS  HN           23 GLU  HN          3.50    (#    133:15  Unique         2.63, 2.69 A)
 &rst
  ixpk= 133, nxpk= 15, iat= 327, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           23 GLU  HN          5.50    (#    134:15  Unique         4.93, 4.95 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 294, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HA           23 GLU  HN          3.50    (#    135:15  Unique         2.79, 2.82 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 LYS  HA           23 GLU  HN          4.50    (#    136:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 329, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 VAL  HA           23 GLU  HN          4.50    (#    137:15  Unique         3.56, 3.61 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 296, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HG-          23 GLU  HN          4.50    (#    138:15  Unique         2.31, 3.70 A)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 356, 357,
 &end
#
#    0 AMB  15-3:139     23 GLU  HN          3.50    (#    139:15  Single Ambig)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 353, 354, 353, 354,
 &end
#
#    0 AMB  15-3:140     23 GLU  HN          3.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 331, 332, 331, 332,
 &end
#
#    0 AMB  15-3:141     23 GLU  HN          4.50    (#    141:15  Single Ambig)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 368, 369, 334, 335, 334, 335, 337, 338,
 &end
#
#    0 AMB  15-3:142     23 GLU  HN          5.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 406, 407, 408, 337, 338, 288, 289, 290,
 &end
#
#    0 AMB  15-3:143     23 GLU  HN          5.50    (#    143:15  Single Ambig)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 300, 301, 302, 304, 305, 306, 392, 393, 394, 396,
       397, 398,
 &end
#
#   24 LEU  QD+          24 LEU  HN          3.50    (#    144:15  Unique         2.01, 3.95 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 373, 374, 375, 377, 378, 379,
 &end
#
#   24 LEU  HB+          24 LEU  HN          2.80    (#    145:15  Unique         2.21, 2.88 A)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#    0 AMB  15-3:146     24 LEU  HN          4.50    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 390, 331, 332, 331, 332, 314, 315, 317, 318,
 &end
#
#    0 AMB  15-3:147     24 LEU  HN          3.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 353, 354, 353, 354,
 &end
#
#   21 GLN  HA           24 LEU  HN          4.50    (#    148:15  Unique         3.67, 3.79 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 312, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:149     24 LEU  HN          3.50    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 366, 296,
 &end
#
#   23 GLU  HA           24 LEU  HN          4.50    (#    150:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 150, nxpk= 15, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:151     24 LEU  HN          5.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 192, 190,
 &end
#
#   23 GLU  HN           24 LEU  HN          3.50    (#    152:15  Unique         2.66, 2.77 A)
 &rst
  ixpk= 152, nxpk= 15, iat= 349, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 GLN  HN           24 LEU  HN          5.50    (#    153:15  Unique         4.75, 4.84 A)
 &rst
  ixpk= 153, nxpk= 15, iat= 310, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 LYS  HN           24 LEU  HN          4.50    (#    154:15  Unique         4.28, 4.38 A)
 &rst
  ixpk= 154, nxpk= 15, iat= 327, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ALA  HN           25 LEU  HN          3.50    (#    155:15  Unique         2.74, 2.89 A)
 &rst
  ixpk= 155, nxpk= 15, iat= 402, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HE3          25 LEU  HN          5.50    (#    156:15  Unique         4.05, 4.61 A)
 &rst
  ixpk= 156, nxpk= 15, iat= 446, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 PHE  HZ           25 LEU  HN          4.50    (#    157:15  Unique         2.49, 2.75 A)
 &rst
  ixpk= 157, nxpk= 15, iat= 192, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HA           25 LEU  HN          3.50    (#    158:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LEU  HA           25 LEU  HN          4.50    (#    159:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 159, nxpk= 15, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HA           25 LEU  HN          5.50    (#    160:15  Unique         3.47, 3.61 A)
 &rst
  ixpk= 160, nxpk= 15, iat= 312, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LEU  HB+          25 LEU  HN          3.50    (#    161:15  Unique         2.40, 2.78 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   25 LEU  HG           25 LEU  HN          3.50    (#    162:15  Unique         2.30, 2.56 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 390, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HB-          25 LEU  HN          3.50    (#    163:15  Unique         2.23, 2.94 A)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#    0 AMB  15-3:164     25 LEU  HN          4.50    (#    164:15  Single Ambig)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 392, 393, 394, 396, 397, 398, 373, 374, 375, 377,
       378, 379,
 &end
#
#   24 LEU  HB-          25 LEU  HN          4.50    (#    165:15  Unique         2.40, 2.78 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 368, 369,
 &end
#
#   26 ALA  QB           26 ALA  HN          2.80    (#    166:15  Unique         2.20, 2.89 A)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 406, 407, 408,
 &end
#
#   25 LEU  HB+          26 ALA  HN          3.50    (#    167:15  Unique         2.17, 2.71 A)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#    0 AMB  15-3:168     26 ALA  HN          4.50    (#    168:15  Single Ambig)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 416, 417, 416, 417, 353, 354,
 &end
#
#   24 LEU  HA           26 ALA  HN          5.50    (#    169:15  Unique         4.24, 5.00 A)
 &rst
  ixpk= 169, nxpk= 15, iat= 366, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:170     26 ALA  HN          4.50    (#    170:15  Single Ambig)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 329, 385,
 &end
#
#   26 ALA  HA           26 ALA  HN          3.50    (#    171:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 171, nxpk= 15, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HN           26 ALA  HN          3.50    (#    172:15  Unique         2.77, 2.85 A)
 &rst
  ixpk= 172, nxpk= 15, iat= 412, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           26 ALA  HN          3.50    (#    173:15  Unique         2.74, 2.89 A)
 &rst
  ixpk= 173, nxpk= 15, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HN           27 GLU  HN          3.50    (#    174:15  Unique         2.51, 2.78 A)
 &rst
  ixpk= 174, nxpk= 15, iat= 427, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ALA  HN           27 GLU  HN          3.50    (#    175:15  Unique         2.77, 2.85 A)
 &rst
  ixpk= 175, nxpk= 15, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HD1           0 AMB  15-1:176    5.50    (#    176:15  Single Ambig)
 &rst
  ixpk= 176, nxpk= 15, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 412,
 &end
#
#    0 AMB  15-3:177      0 AMB  15-1:177    3.50    (#    177:15  Double Ambig)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 414, 453, 404,
 igr2= 412, 451,
 &end
#
#    0 AMB  15-3:178      0 AMB  15-1:178    4.50    (#    178:15  Double Ambig)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 366, 513, 514, 513, 514,
 igr2= 412, 451,
 &end
#
#    0 AMB  15-3:179     29 LYS  HN          4.50    (#    179:15  Single Ambig)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 431, 432, 431, 432,
 &end
#
#    0 AMB  15-3:180     27 GLU  HN          4.50    (#    180:15  Single Ambig)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 419, 420, 419, 420, 356, 357,
 &end
#
#    0 AMB  15-3:181     27 GLU  HN          3.50    (#    181:15  Single Ambig)
 &rst
  ixpk= 181, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 416, 417, 416, 417,
 &end
#
#    0 AMB  15-3:182      0 AMB  15-1:182    3.50    (#    182:15  Double Ambig)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 406, 407, 408, 458, 459,
 igr2= 412, 451,
 &end
#
#    0 AMB  15-3:183     28 TRP  HN          5.50    (#    183:15  Single Ambig)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 458, 459, 406, 407, 408,
 &end
#
#    0 AMB  15-3:184     28 TRP  HN          5.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 455, 456, 455, 456,
 &end
#
#    0 AMB  15-3:185     28 TRP  HN          3.50    (#    185:15  Single Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 416, 417, 416, 417,
 &end
#
#    0 AMB  15-3:186     28 TRP  HN          5.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 419, 420, 419, 420,
 &end
#
#    0 AMB  15-3:187     28 TRP  HN          3.50    (#    187:15  Single Ambig)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#   24 LEU  HA           28 TRP  HN          5.50    (#    188:15  Unique         3.95, 4.13 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  HA           28 TRP  HN          4.50    (#    189:15  Unique         3.35, 3.62 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:190     28 TRP  HN          4.50    (#    190:15  Single Ambig)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 414, 404, 453,
 &end
#
#   28 TRP  HA           28 TRP  HN          4.50    (#    191:15  Unique         2.78, 2.84 A)
 &rst
  ixpk= 191, nxpk= 15, iat= 429, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HD1          28 TRP  HN          4.50    (#    192:15  Unique         3.59, 3.78 A)
 &rst
  ixpk= 192, nxpk= 15, iat= 435, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 TRP  HE3          28 TRP  HN          5.50    (#    193:15  Unique         3.85, 4.16 A)
 &rst
  ixpk= 193, nxpk= 15, iat= 446, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:194     28 TRP  HN          3.50    (#    194:15  Single Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 412,
 &end
#
#   28 TRP  HN           29 LYS  HN          3.50    (#    195:15  Unique         2.36, 2.58 A)
 &rst
  ixpk= 195, nxpk= 15, iat= 427, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HN           21 GLN  HN          5.50    (#    196:15  Unique         4.05, 4.17 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 349, 310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 TRP  HA           29 LYS  HN          4.50    (#    197:15  Unique         3.36, 3.45 A)
 &rst
  ixpk= 197, nxpk= 15, iat= 429, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:198     29 LYS  HN          3.50    (#    198:15  Single Ambig)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 453, 404, 414,
 &end
#
#    0 AMB  15-3:199     29 LYS  HN          3.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 431, 432, 431, 432,
 &end
#
#   29 LYS  HG+          29 LYS  HN          4.50    (#    200:15  Unique         2.69, 4.35 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 458, 459,
 &end
#
#   30 ARG  HG+          30 ARG  HN          4.50    (#    201:15  Unique         1.94, 4.16 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    0 AMB  15-3:202     30 ARG  HN          3.50    (#    202:15  Single Ambig)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 477, 478, 477, 478, 455, 456, 455, 456,
 &end
#
#    0 AMB  15-3:203     30 ARG  HN          5.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 483, 484, 483, 484,
 &end
#
#    0 AMB  15-3:204     30 ARG  HN          3.50    (#    204:15  Single Ambig)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 414, 453, 404,
 &end
#
#   31 THR  HN           30 ARG  HN          4.50    (#    205:15  Unique         2.19, 2.50 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 497, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:206     31 THR  HN          3.50    (#    206:15  Single Ambig)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 501, 475,
 &end
#
#    0 AMB  15-3:207     31 THR  HN          4.50    (#    207:15  Single Ambig)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 477, 478, 477, 478,
 &end
#
#   31 THR  QG2          31 THR  HN          4.50    (#    208:15  Unique         1.94, 3.63 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 503, 504, 505,
 &end
#
#    0 AMB  15-3:209     32 GLY  HN          5.50    (#    209:15  Single Ambig)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 477, 478, 477, 478, 455, 456, 455, 456,
 &end
#
#   31 THR  QG2          32 GLY  HN          5.50    (#    210:15  Unique         2.21, 4.71 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 503, 504, 505,
 &end
#
#    0 AMB  15-3:211     28 TRP  HE1         4.50    (#    211:15  Single Ambig)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
       378, 379,
 &end
#
#    0 AMB  15-3:212     28 TRP  HE1         5.50    (#    212:15  Single Ambig)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  69,  70,  69,  70,
 &end
#
#    0 AMB  15-3:213     28 TRP  HE1         5.50    (#    213:15  Single Ambig)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73, 368, 369,
 &end
#
#    0 AMB  15-3:214     28 TRP  HE1         5.50    (#    214:15  Single Ambig)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  72,  73, 416, 417, 416, 417,
 &end
#
#    0 AMB  15-3:215     28 TRP  HE1         5.50    (#    215:15  Single Ambig)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 419, 420, 419, 420,
 &end
#
#    0 AMB  15-3:216     28 TRP  HE1         7.00    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 431, 432, 431, 432,
 &end
#
#   24 LEU  HA           28 TRP  HE1         5.50    (#    217:15  Unique         5.50, 5.51 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 366, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 PRO  HA           28 TRP  HE1         7.00    (#    218:15  Unique         5.90, 6.41 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  75, 437, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   28 TRP  HD1          28 TRP  HE1         3.50    (#    219:15  Unique         2.57, 2.57 A)
 &rst
  ixpk= 219, nxpk= 15, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TRP  HZ2          28 TRP  HE1         3.50    (#    220:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 220, nxpk= 15, iat= 440, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLN  HA           11 GLN  HE2-        5.50    (#    221:15  Unique         4.13, 5.15 A)
 &rst
  ixpk= 221, nxpk= 15, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 GLN  HG+          11 GLN  HE2-        4.50    (#    222:15  Unique         2.34, 3.38 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 154, 155,
 igr2= 159, 160,
 &end
#
#   10 PRO  HB-          11 GLN  HE2-        7.00    (#    223:15  Unique         5.59, 7.85 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 140, 141,
 igr2= 159, 160,
 &end
#
#    0 AMB  15-3:224      0 AMB  15-1:224    5.50    (#    224:15  Double Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 154, 155, 154, 155,
 igr2= 159, 160, 159, 160,
 &end
#
#    0 AMB  15-3:226     21 GLN  HE2-        5.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 265, 238,
 igr2= 322, 323,
 &end
#
#   14 TYR  HA           21 GLN  HE2-        4.50    (#    227:15  Unique         2.34, 3.31 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 322, 323,
 &end
#
#   18 GLU  HA           21 GLN  HE2-        4.50    (#    228:15  Unique         3.12, 4.60 A)
 &rst
  ixpk= 228, nxpk= 15, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 322, 323,
 &end
#
#   21 GLN  HA           21 GLN  HE2-        5.50    (#    229:15  Unique         4.50, 5.37 A)
 &rst
  ixpk= 229, nxpk= 15, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:230     21 GLN  HE2-        5.50    (#    230:15  Single Ambig)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 184, 185, 184, 185,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:231     21 GLN  HE2-        3.50    (#    231:15  Single Ambig)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 317, 318, 314, 315,
 igr2= 322, 323,
 &end
#
#   16 LEU  HB+          21 GLN  HE2-        4.50    (#    232:15  Unique         2.97, 5.09 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 240, 241,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:233     21 GLN  HE2-        4.50    (#    233:15  Single Ambig)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 317, 318, 240, 241,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:236      0 AMB  15-1:236    4.50    (#    236:15  Double Ambig)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 317, 318, 240, 241,
 igr2= 322, 323, 322, 323,
 &end
#
#   16 LEU  HB+          21 GLN  HE2+        5.50    (#    237:15  Unique         2.97, 5.09 A)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 240, 241,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:238      0 AMB  15-1:238    4.50    (#    238:15  Double Ambig)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 317, 318, 314, 315,
 igr2= 322, 323, 322, 323,
 &end
#
#   21 GLN  HB-          21 GLN  HE2+        4.50    (#    239:15  Unique         2.62, 3.98 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 314, 315,
 igr2= 322, 323,
 &end
#
#    0 AMB  15-3:240      0 AMB  15-1:240    5.50    (#    240:15  Double Ambig)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 204, 205, 256, 257,
 igr2= 322, 323, 322, 323,
 &end
#
#   18 GLU  HA           21 GLN  HE2+        5.50    (#    241:15  Unique         3.12, 4.60 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#   14 TYR  HA           21 GLN  HE2+        4.50    (#    242:15  Unique         2.34, 3.31 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 322, 323,
 &end
#
#   22 LYS  HN           21 GLN  HE2+        5.50    (#    243:15  Unique         5.18, 6.71 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#   18 GLU  HB-          18 GLU  HN          4.50    (#    244:15  Unique         2.34, 2.53 A)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 273, 274,
 &end
#
#    0 AMB  15-3:245     27 GLU  HN          4.50    (#    245:15  Single Ambig)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 387, 388, 455, 456, 455, 456, 331, 332,
 &end
#
#    0 AMB  15-3:246     11 GLN  HN          4.50    (#    246:15  Single Ambig)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 134, 135, 143,
 &end
#
#   25 LEU  QD-          25 LEU  HN          4.50    (#    247:15  Unique         3.17, 4.49 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 392, 393, 394, 396, 397, 398,
 &end
#
#    0 AMB  15-3:248     25 LEU  HN          5.50    (#    248:15  Single Ambig)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 314, 315, 416, 417, 416, 417, 353, 354,
 &end
#
#    9 ASP  HB-          11 GLN  HN          5.50    (#    249:15  Unique         2.74, 3.58 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 125, 126,
 &end
#
#    0 AMB  15-3:250      7 ASP  HN          5.50    (#    250:15  Single Ambig)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  69,  70,  69,  70,
 &end
#
#    8 ILE  HG1-          7 ASP  HN          7.00    (#    251:15  Unique         3.30, 3.42 A)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 112, 113,
 &end
#
#    0 AMB  15-3:252      7 ASP  HN          5.50    (#    252:15  Single Ambig)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 108, 109, 110, 115, 116, 117,
 &end
#
#   30 ARG  HA           30 ARG  HN          4.50    (#    253:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  QG-          13 PHE  HN          4.50    (#    254:15  Unique         3.19, 4.19 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 170, 171, 172, 174, 175, 176,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -3           H1       GLY  -3   1.904   1.610   6.267
    2    H2   GLY  -3           H2       GLY  -3   2.966   1.652   4.981
    3    H3   GLY  -3           H3       GLY  -3   2.711   3.008   5.902
    4    HA2  GLY  -3           HA2      GLY  -3   0.434   3.043   5.261
    5    HA3  GLY  -3           HA3      GLY  -3   1.553   3.293   3.904
    6    H    HIS  -2           H        HIS  -2  -1.269   2.207   3.944
    7    HA   HIS  -2           HA       HIS  -2  -0.794  -0.174   2.316
    8    HB2  HIS  -2           HB2      HIS  -2  -2.641  -0.221   4.749
    9    HB3  HIS  -2           HB3      HIS  -2  -2.575  -1.457   3.495
   10    HD1  HIS  -2           HD1      HIS  -2  -0.875  -0.435   6.699
   11    HD2  HIS  -2           HD2      HIS  -2  -0.210  -2.956   3.383
   12    HE1  HIS  -2           HE1      HIS  -2   0.968  -2.070   7.369
   13    H    MET  -1           H        MET  -1  -2.503  -0.403   0.830
   14    HA   MET  -1           HA       MET  -1  -3.731   0.485  -0.789
   15    HB2  MET  -1           HB2      MET  -1  -6.023   0.926  -0.373
   16    HB3  MET  -1           HB3      MET  -1  -5.508  -0.426   0.622
   17    HG2  MET  -1           HG2      MET  -1  -5.633   0.792   2.603
   18    HG3  MET  -1           HG3      MET  -1  -5.533   2.354   1.796
   19    HE1  MET  -1           HE1      MET  -1  -7.319   3.653   0.717
   20    HE2  MET  -1           HE2      MET  -1  -7.775   2.395  -0.442
   21    HE3  MET  -1           HE3      MET  -1  -9.026   3.168   0.549
   22    H    PHE 679           H        PHE 679  -1.839   2.411   0.546
   23    HA   PHE 679           HA       PHE 679  -2.623   4.898  -0.758
   24    HB2  PHE 679           HB2      PHE 679  -2.274   4.417   2.231
   25    HB3  PHE 679           HB3      PHE 679  -1.791   5.938   1.525
   26    HD1  PHE 679           HD2      PHE 679  -3.407   7.369   0.297
   27    HD2  PHE 679           HD1      PHE 679  -4.600   4.116   2.846
   28    HE1  PHE 679           HE2      PHE 679  -5.730   8.222   0.278
   29    HE2  PHE 679           HE1      PHE 679  -6.901   5.099   3.005
   30    HZ   PHE 679           HZ       PHE 679  -7.488   7.073   1.624
   31    HA   PRO 680           HA       PRO 680   1.473   5.319  -2.209
   32    HB2  PRO 680           HB2      PRO 680   1.732   7.229   0.140
   33    HB3  PRO 680           HB3      PRO 680   2.645   7.281  -1.423
   34    HG2  PRO 680           HG2      PRO 680   0.287   8.583  -1.211
   35    HG3  PRO 680           HG3      PRO 680   0.634   7.623  -2.676
   36    HD2  PRO 680           HD2      PRO 680  -1.301   7.013  -0.506
   37    HD3  PRO 680           HD3      PRO 680  -1.227   6.407  -2.173
   38    H    SER 681           H        SER 681   2.714   5.608   1.128
   39    HA   SER 681           HA       SER 681   3.525   2.810   1.196
   40    HB2  SER 681           HB2      SER 681   5.683   4.937   0.784
   41    HB3  SER 681           HB3      SER 681   5.977   3.252   1.220
   42    HG   SER 681           HG       SER 681   4.387   3.395  -0.952
   43    H    ASP 682           H        ASP 682   3.989   6.154   2.439
   44    HA   ASP 682           HA       ASP 682   4.732   5.295   5.104
   45    HB2  ASP 682           HB2      ASP 682   4.721   7.685   5.563
   46    HB3  ASP 682           HB3      ASP 682   5.656   7.340   4.104
   47    H    ILE 683           H        ILE 683   2.000   7.193   3.766
   48    HA   ILE 683           HA       ILE 683   0.459   7.136   6.063
   49    HB   ILE 683           HB       ILE 683  -1.497   7.483   4.276
   50   HG12  ILE 683          HG12      ILE 683   0.931   8.286   2.635
   51   HG13  ILE 683          HG13      ILE 683  -0.015   6.828   2.351
   52   HG21  ILE 683          HG21      ILE 683   0.603   9.624   4.643
   53   HG22  ILE 683          HG22      ILE 683  -1.141   9.820   4.325
   54   HG23  ILE 683          HG23      ILE 683  -0.614   9.175   5.879
   55   HD11  ILE 683          HD11      ILE 683  -0.758   8.542   0.851
   56   HD12  ILE 683          HD12      ILE 683  -2.053   8.341   2.057
   57   HD13  ILE 683          HD13      ILE 683  -0.943   9.736   2.127
   58    H    ASP 684           H        ASP 684  -0.518   5.655   7.080
   59    HA   ASP 684           HA       ASP 684  -1.541   3.185   5.773
   60    HB2  ASP 684           HB2      ASP 684  -0.665   3.883   8.503
   61    HB3  ASP 684           HB3      ASP 684  -2.276   3.159   8.481
   62    HA   PRO 685           HA       PRO 685  -5.344   4.788   4.900
   63    HB2  PRO 685           HB2      PRO 685  -6.940   2.867   6.554
   64    HB3  PRO 685           HB3      PRO 685  -6.960   3.115   4.779
   65    HG2  PRO 685           HG2      PRO 685  -5.791   0.911   5.906
   66    HG3  PRO 685           HG3      PRO 685  -5.085   1.725   4.476
   67    HD2  PRO 685           HD2      PRO 685  -4.312   2.069   7.380
   68    HD3  PRO 685           HD3      PRO 685  -3.250   1.794   5.945
   69    H    GLN 686           H        GLN 686  -5.225   3.896   8.360
   70    HA   GLN 686           HA       GLN 686  -7.332   5.618   9.095
   71    HB2  GLN 686           HB2      GLN 686  -6.323   3.676  10.444
   72    HB3  GLN 686           HB3      GLN 686  -5.053   4.811  10.946
   73    HG2  GLN 686           HG2      GLN 686  -6.896   6.358  11.764
   74    HG3  GLN 686           HG3      GLN 686  -8.070   5.110  11.351
   75   HE21  GLN 686          HE22      GLN 686  -5.980   6.300  13.776
   76   HE22  GLN 686          HE21      GLN 686  -6.088   4.912  14.867
   77    H    VAL 687           H        VAL 687  -3.795   6.088   8.938
   78    HA   VAL 687           HA       VAL 687  -3.759   8.669  10.143
   79    HB   VAL 687           HB       VAL 687  -1.725   7.479   8.201
   80   HG11  VAL 687          HG11      VAL 687  -1.340   9.856   8.765
   81   HG12  VAL 687          HG12      VAL 687  -1.420   9.464  10.494
   82   HG13  VAL 687          HG13      VAL 687  -0.096   8.825   9.491
   83   HG21  VAL 687          HG21      VAL 687  -2.084   5.790   9.937
   84   HG22  VAL 687          HG22      VAL 687  -0.559   6.613  10.260
   85   HG23  VAL 687          HG23      VAL 687  -2.002   7.034  11.210
   86    H    PHE 688           H        PHE 688  -4.143   7.538   6.740
   87    HA   PHE 688           HA       PHE 688  -4.041  10.193   5.650
   88    HB2  PHE 688           HB2      PHE 688  -3.861   8.152   4.246
   89    HB3  PHE 688           HB3      PHE 688  -5.561   7.787   4.572
   90    HD1  PHE 688           HD1      PHE 688  -3.292  10.478   3.270
   91    HD2  PHE 688           HD2      PHE 688  -7.299   8.878   3.285
   92    HE1  PHE 688           HE1      PHE 688  -3.957  12.114   1.557
   93    HE2  PHE 688           HE2      PHE 688  -7.933  10.462   1.489
   94    HZ   PHE 688           HZ       PHE 688  -6.245  12.095   0.620
   95    H    TYR 689           H        TYR 689  -6.709   8.271   7.117
   96    HA   TYR 689           HA       TYR 689  -8.641  10.342   6.373
   97    HB2  TYR 689           HB2      TYR 689  -8.791   7.766   7.926
   98    HB3  TYR 689           HB3      TYR 689 -10.159   8.882   7.801
   99    HD1  TYR 689           HD1      TYR 689 -10.549   9.740   5.228
  100    HD2  TYR 689           HD2      TYR 689  -8.952   5.934   6.437
  101    HE1  TYR 689           HE1      TYR 689 -11.182   8.793   3.036
  102    HE2  TYR 689           HE2      TYR 689  -9.590   4.961   4.251
  103    HH   TYR 689           HH       TYR 689 -10.598   5.357   2.180
  104    H    GLU 690           H        GLU 690  -6.488   9.891   9.071
  105    HA   GLU 690           HA       GLU 690  -7.857  11.674  10.895
  106    HB2  GLU 690           HB2      GLU 690  -5.014  10.637  10.607
  107    HB3  GLU 690           HB3      GLU 690  -5.457  11.786  11.872
  108    HG2  GLU 690           HG2      GLU 690  -6.899  10.297  12.967
  109    HG3  GLU 690           HG3      GLU 690  -7.038   9.224  11.587
  110    H    LEU 691           H        LEU 691  -6.208  12.182   7.917
  111    HA   LEU 691           HA       LEU 691  -5.321  14.890   8.398
  112    HB2  LEU 691           HB2      LEU 691  -6.143  13.501   5.819
  113    HB3  LEU 691           HB3      LEU 691  -5.333  15.057   5.899
  114    HG   LEU 691           HG       LEU 691  -4.142  12.376   6.717
  115   HD11  LEU 691          HD11      LEU 691  -4.363  12.851   4.280
  116   HD12  LEU 691          HD12      LEU 691  -3.344  14.287   4.494
  117   HD13  LEU 691          HD13      LEU 691  -2.685  12.672   4.824
  118   HD21  LEU 691          HD21      LEU 691  -2.875  15.154   6.837
  119   HD22  LEU 691          HD22      LEU 691  -3.225  14.080   8.217
  120   HD23  LEU 691          HD23      LEU 691  -2.012  13.608   7.034
  121    HA   PRO 692           HA       PRO 692  -9.297  16.938   8.205
  122    HB2  PRO 692           HB2      PRO 692  -8.067  18.905   6.290
  123    HB3  PRO 692           HB3      PRO 692  -8.934  19.219   7.823
  124    HG2  PRO 692           HG2      PRO 692  -6.220  19.441   7.673
  125    HG3  PRO 692           HG3      PRO 692  -7.004  18.721   9.116
  126    HD2  PRO 692           HD2      PRO 692  -5.751  17.288   6.760
  127    HD3  PRO 692           HD3      PRO 692  -5.561  16.963   8.521
  128    H    GLU 693           H        GLU 693 -11.083  16.720   6.854
  129    HA   GLU 693           HA       GLU 693 -11.036  15.102   4.630
  130    HB2  GLU 693           HB2      GLU 693 -12.925  15.633   6.122
  131    HB3  GLU 693           HB3      GLU 693 -13.082  17.229   5.418
  132    HG2  GLU 693           HG2      GLU 693 -13.231  14.874   3.541
  133    HG3  GLU 693           HG3      GLU 693 -14.531  15.046   4.718
  134    H    ALA 694           H        ALA 694 -10.779  18.649   4.586
  135    HA   ALA 694           HA       ALA 694 -10.807  18.743   1.732
  136    HB1  ALA 694           HB1      ALA 694 -10.070  21.092   2.017
  137    HB2  ALA 694           HB2      ALA 694 -11.387  20.710   3.150
  138    HB3  ALA 694           HB3      ALA 694  -9.701  20.779   3.726
  139    H    VAL 695           H        VAL 695  -8.205  18.002   3.954
  140    HA   VAL 695           HA       VAL 695  -6.156  18.512   1.947
  141    HB   VAL 695           HB       VAL 695  -6.118  17.040   4.610
  142   HG11  VAL 695          HG11      VAL 695  -3.774  17.483   2.725
  143   HG12  VAL 695          HG12      VAL 695  -3.659  16.895   4.399
  144   HG13  VAL 695          HG13      VAL 695  -4.480  15.917   3.167
  145   HG21  VAL 695          HG21      VAL 695  -6.249  19.519   4.745
  146   HG22  VAL 695          HG22      VAL 695  -4.685  18.923   5.321
  147   HG23  VAL 695          HG23      VAL 695  -4.817  19.642   3.705
  148    H    GLN 696           H        GLN 696  -8.315  15.888   3.005
  149    HA   GLN 696           HA       GLN 696  -6.851  13.764   1.762
  150    HB2  GLN 696           HB2      GLN 696  -9.828  14.006   2.399
  151    HB3  GLN 696           HB3      GLN 696  -9.039  12.533   1.861
  152    HG2  GLN 696           HG2      GLN 696  -7.738  12.392   3.899
  153    HG3  GLN 696           HG3      GLN 696  -8.259  13.997   4.412
  154   HE21  GLN 696          HE22      GLN 696  -9.232  13.207   6.396
  155   HE22  GLN 696          HE21      GLN 696 -10.686  12.251   6.363
  156    H    LYS 697           H        LYS 697  -9.690  15.665   0.861
  157    HA   LYS 697           HA       LYS 697 -10.147  14.999  -1.785
  158    HB2  LYS 697           HB2      LYS 697 -10.379  17.465  -0.174
  159    HB3  LYS 697           HB3      LYS 697 -10.777  17.471  -1.921
  160    HG2  LYS 697           HG2      LYS 697 -12.287  15.505  -1.600
  161    HG3  LYS 697           HG3      LYS 697 -11.912  15.499   0.148
  162    HD2  LYS 697           HD2      LYS 697 -12.639  17.819   0.276
  163    HD3  LYS 697           HD3      LYS 697 -13.076  17.757  -1.464
  164    HE2  LYS 697           HE2      LYS 697 -14.883  16.206  -1.026
  165    HE3  LYS 697           HE3      LYS 697 -14.183  15.776   0.546
  166    HZ1  LYS 697           HZ1      LYS 697 -15.573  18.326  -0.001
  167    HZ2  LYS 697           HZ2      LYS 697 -15.925  17.099   1.105
  168    HZ3  LYS 697           HZ3      LYS 697 -14.660  17.942   1.354
  169    H    GLU 698           H        GLU 698  -7.724  17.483  -0.640
  170    HA   GLU 698           HA       GLU 698  -6.939  18.127  -3.302
  171    HB2  GLU 698           HB2      GLU 698  -6.398  19.129  -0.744
  172    HB3  GLU 698           HB3      GLU 698  -4.835  18.497  -1.247
  173    HG2  GLU 698           HG2      GLU 698  -6.598  20.503  -2.727
  174    HG3  GLU 698           HG3      GLU 698  -5.081  20.846  -1.896
  175    H    LEU 699           H        LEU 699  -5.575  15.769  -0.943
  176    HA   LEU 699           HA       LEU 699  -3.470  14.814  -2.626
  177    HB2  LEU 699           HB2      LEU 699  -4.997  13.821  -0.235
  178    HB3  LEU 699           HB3      LEU 699  -3.992  12.688  -1.097
  179    HG   LEU 699           HG       LEU 699  -3.096  14.003   0.960
  180   HD11  LEU 699          HD11      LEU 699  -1.764  12.427  -0.275
  181   HD12  LEU 699          HD12      LEU 699  -1.468  13.613  -1.573
  182   HD13  LEU 699          HD13      LEU 699  -0.776  13.855   0.052
  183   HD21  LEU 699          HD21      LEU 699  -1.817  16.002   0.552
  184   HD22  LEU 699          HD22      LEU 699  -2.379  16.084  -1.124
  185   HD23  LEU 699          HD23      LEU 699  -3.529  16.293   0.216
  186    H    LEU 700           H        LEU 700  -6.955  13.962  -2.589
  187    HA   LEU 700           HA       LEU 700  -6.654  11.765  -4.436
  188    HB2  LEU 700           HB2      LEU 700  -9.034  13.663  -4.167
  189    HB3  LEU 700           HB3      LEU 700  -8.999  12.167  -5.073
  190    HG   LEU 700           HG       LEU 700  -8.862  12.443  -2.056
  191   HD11  LEU 700          HD11      LEU 700 -11.001  11.297  -2.104
  192   HD12  LEU 700          HD12      LEU 700 -11.075  12.778  -3.073
  193   HD13  LEU 700          HD13      LEU 700 -10.946  11.195  -3.880
  194   HD21  LEU 700          HD21      LEU 700  -7.436  10.556  -2.681
  195   HD22  LEU 700          HD22      LEU 700  -8.947   9.955  -2.001
  196   HD23  LEU 700          HD23      LEU 700  -8.691   9.919  -3.769
  197    H    ALA 701           H        ALA 701  -6.964  15.312  -4.859
  198    HA   ALA 701           HA       ALA 701  -7.041  15.154  -7.750
  199    HB1  ALA 701           HB1      ALA 701  -6.345  17.515  -5.946
  200    HB2  ALA 701           HB2      ALA 701  -6.752  17.584  -7.667
  201    HB3  ALA 701           HB3      ALA 701  -7.983  17.083  -6.486
  202    H    GLU 702           H        GLU 702  -4.442  15.561  -5.301
  203    HA   GLU 702           HA       GLU 702  -2.336  16.039  -7.103
  204    HB2  GLU 702           HB2      GLU 702  -2.185  16.321  -4.620
  205    HB3  GLU 702           HB3      GLU 702  -2.181  14.565  -4.447
  206    HG2  GLU 702           HG2      GLU 702   0.094  15.373  -4.306
  207    HG3  GLU 702           HG3      GLU 702  -0.069  14.432  -5.782
  208    H    TRP 703           H        TRP 703  -3.448  12.934  -5.655
  209    HA   TRP 703           HA       TRP 703  -1.738  11.325  -7.266
  210    HB2  TRP 703           HB2      TRP 703  -4.384  10.710  -5.892
  211    HB3  TRP 703           HB3      TRP 703  -3.332   9.482  -6.613
  212    HD1  TRP 703           HD1      TRP 703  -0.548  10.671  -5.493
  213    HE1  TRP 703           HE1      TRP 703  -0.006  10.551  -3.009
  214    HE3  TRP 703           HE3      TRP 703  -5.280  10.034  -3.685
  215    HZ2  TRP 703           HZ2      TRP 703  -1.434  10.063  -0.537
  216    HZ3  TRP 703           HZ3      TRP 703  -5.676   9.805  -1.250
  217    HH2  TRP 703           HH2      TRP 703  -3.734   9.711   0.318
  218    H    LYS 704           H        LYS 704  -5.148  12.469  -7.911
  219    HA   LYS 704           HA       LYS 704  -5.078  11.169 -10.443
  220    HB2  LYS 704           HB2      LYS 704  -7.141  11.882  -9.104
  221    HB3  LYS 704           HB3      LYS 704  -6.880  13.509  -9.727
  222    HG2  LYS 704           HG2      LYS 704  -8.594  12.349 -10.989
  223    HG3  LYS 704           HG3      LYS 704  -7.247  12.656 -12.049
  224    HD2  LYS 704           HD2      LYS 704  -6.978  10.007 -10.778
  225    HD3  LYS 704           HD3      LYS 704  -8.560  10.193 -11.497
  226    HE2  LYS 704           HE2      LYS 704  -7.109   9.165 -13.103
  227    HE3  LYS 704           HE3      LYS 704  -7.533  10.784 -13.690
  228    HZ1  LYS 704           HZ1      LYS 704  -5.078  10.137 -13.860
  229    HZ2  LYS 704           HZ2      LYS 704  -5.313  11.525 -12.989
  230    HZ3  LYS 704           HZ3      LYS 704  -4.992  10.071 -12.318
  231    H    ARG 705           H        ARG 705  -3.395  14.069  -9.565
  232    HA   ARG 705           HA       ARG 705  -3.160  14.727 -12.466
  233    HB2  ARG 705           HB2      ARG 705  -2.438  16.882 -11.949
  234    HB3  ARG 705           HB3      ARG 705  -3.852  16.561 -10.941
  235    HG2  ARG 705           HG2      ARG 705  -2.105  15.971  -9.123
  236    HG3  ARG 705           HG3      ARG 705  -0.931  16.809 -10.126
  237    HD2  ARG 705           HD2      ARG 705  -2.238  18.878  -9.974
  238    HD3  ARG 705           HD3      ARG 705  -3.574  18.007  -9.200
  239    HE   ARG 705           HE       ARG 705  -0.972  17.938  -7.807
  240   HH11  ARG 705          HH11      ARG 705  -4.372  19.059  -7.790
  241   HH12  ARG 705          HH12      ARG 705  -4.335  19.452  -6.099
  242   HH21  ARG 705          HH21      ARG 705  -0.957  18.630  -5.600
  243   HH22  ARG 705          HH22      ARG 705  -2.446  19.226  -4.888
  244    H    THR 706           H        THR 706  -1.678  12.689 -10.337
  245    HA   THR 706           HA       THR 706   0.860  12.958 -11.876
  246    HB   THR 706           HB       THR 706   1.943  11.947  -9.836
  247    HG1  THR 706           HG1      THR 706  -0.384  12.858  -8.511
  248   HG21  THR 706          HG21      THR 706   2.096  14.373 -10.375
  249   HG22  THR 706          HG22      THR 706   0.627  14.678  -9.433
  250   HG23  THR 706          HG23      THR 706   2.084  14.077  -8.622
  251    H    GLY 707           H        GLY 707  -1.819  10.863 -11.048
  252    HA2  GLY 707           HA2      GLY 707  -0.858   9.012 -13.103
  253    HA3  GLY 707           HA3      GLY 707  -1.217   8.341 -11.484
  Start of MODEL    2
    1    H1   GLY  -3           H1       GLY  -3   0.331   3.476   4.417
    2    H2   GLY  -3           H2       GLY  -3   1.945   3.517   4.741
    3    H3   GLY  -3           H3       GLY  -3   1.396   3.180   3.219
    4    HA2  GLY  -3           HA2      GLY  -3   2.153   1.190   4.295
    5    HA3  GLY  -3           HA3      GLY  -3   0.980   1.495   5.587
    6    H    HIS  -2           H        HIS  -2  -1.034   0.564   5.326
    7    HA   HIS  -2           HA       HIS  -2  -1.561  -1.069   3.024
    8    HB2  HIS  -2           HB2      HIS  -2  -3.565  -0.098   5.102
    9    HB3  HIS  -2           HB3      HIS  -2  -3.721  -1.499   4.062
   10    HD1  HIS  -2           HD1      HIS  -2  -2.094  -0.358   7.337
   11    HD2  HIS  -2           HD2      HIS  -2  -2.341  -3.732   4.802
   12    HE1  HIS  -2           HE1      HIS  -2  -1.236  -2.345   8.667
   13    H    MET  -1           H        MET  -1  -2.873  -0.724   1.283
   14    HA   MET  -1           HA       MET  -1  -4.116   0.204  -0.304
   15    HB2  MET  -1           HB2      MET  -1  -5.654  -0.069   1.829
   16    HB3  MET  -1           HB3      MET  -1  -5.694   1.694   1.783
   17    HG2  MET  -1           HG2      MET  -1  -6.479   1.436  -0.674
   18    HG3  MET  -1           HG3      MET  -1  -6.595  -0.289  -0.341
   19    HE1  MET  -1           HE1      MET  -1  -9.284   3.092   1.304
   20    HE2  MET  -1           HE2      MET  -1  -7.571   3.000   1.759
   21    HE3  MET  -1           HE3      MET  -1  -8.020   3.239   0.057
   22    H    PHE 679           H        PHE 679  -1.890   2.178   0.917
   23    HA   PHE 679           HA       PHE 679  -2.636   4.557  -0.660
   24    HB2  PHE 679           HB2      PHE 679  -2.333   4.293   2.346
   25    HB3  PHE 679           HB3      PHE 679  -1.765   5.752   1.583
   26    HD1  PHE 679           HD2      PHE 679  -3.284   7.301   0.416
   27    HD2  PHE 679           HD1      PHE 679  -4.717   3.967   2.737
   28    HE1  PHE 679           HE2      PHE 679  -5.582   8.219   0.324
   29    HE2  PHE 679           HE1      PHE 679  -6.992   5.030   2.817
   30    HZ   PHE 679           HZ       PHE 679  -7.441   7.062   1.485
   31    HA   PRO 680           HA       PRO 680   1.832   4.818  -1.324
   32    HB2  PRO 680           HB2      PRO 680   1.728   7.305   0.414
   33    HB3  PRO 680           HB3      PRO 680   2.732   7.012  -1.043
   34    HG2  PRO 680           HG2      PRO 680   0.411   8.362  -1.275
   35    HG3  PRO 680           HG3      PRO 680   0.828   7.112  -2.478
   36    HD2  PRO 680           HD2      PRO 680  -1.167   6.949  -0.240
   37    HD3  PRO 680           HD3      PRO 680  -1.203   6.199  -1.848
   38    H    SER 681           H        SER 681   3.881   4.537  -0.261
   39    HA   SER 681           HA       SER 681   3.842   2.544   1.515
   40    HB2  SER 681           HB2      SER 681   6.161   4.488   1.335
   41    HB3  SER 681           HB3      SER 681   6.218   2.726   1.527
   42    HG   SER 681           HG       SER 681   6.651   3.358  -0.634
   43    H    ASP 682           H        ASP 682   3.991   5.985   2.502
   44    HA   ASP 682           HA       ASP 682   4.642   5.349   5.273
   45    HB2  ASP 682           HB2      ASP 682   4.624   7.762   5.559
   46    HB3  ASP 682           HB3      ASP 682   5.637   7.306   4.192
   47    H    ILE 683           H        ILE 683   1.963   7.220   3.774
   48    HA   ILE 683           HA       ILE 683   0.414   7.274   6.109
   49    HB   ILE 683           HB       ILE 683  -1.498   7.711   4.302
   50   HG12  ILE 683          HG12      ILE 683   0.980   8.348   2.663
   51   HG13  ILE 683          HG13      ILE 683  -0.040   6.933   2.405
   52   HG21  ILE 683          HG21      ILE 683  -0.575   9.377   5.881
   53   HG22  ILE 683          HG22      ILE 683   0.712   9.738   4.692
   54   HG23  ILE 683          HG23      ILE 683  -1.004  10.039   4.297
   55   HD11  ILE 683          HD11      ILE 683  -0.878   9.859   2.132
   56   HD12  ILE 683          HD12      ILE 683  -0.645   8.684   0.855
   57   HD13  ILE 683          HD13      ILE 683  -1.982   8.464   2.007
   58    H    ASP 684           H        ASP 684  -0.682   5.763   7.109
   59    HA   ASP 684           HA       ASP 684  -1.685   3.368   5.673
   60    HB2  ASP 684           HB2      ASP 684  -0.709   3.710   8.271
   61    HB3  ASP 684           HB3      ASP 684  -2.460   3.708   8.510
   62    HA   PRO 685           HA       PRO 685  -5.533   5.133   4.828
   63    HB2  PRO 685           HB2      PRO 685  -7.183   3.085   6.280
   64    HB3  PRO 685           HB3      PRO 685  -7.183   3.479   4.541
   65    HG2  PRO 685           HG2      PRO 685  -6.057   1.177   5.499
   66    HG3  PRO 685           HG3      PRO 685  -5.339   2.079   4.128
   67    HD2  PRO 685           HD2      PRO 685  -4.599   2.208   7.065
   68    HD3  PRO 685           HD3      PRO 685  -3.494   2.020   5.654
   69    H    GLN 686           H        GLN 686  -5.380   3.965   8.186
   70    HA   GLN 686           HA       GLN 686  -7.325   5.683   9.275
   71    HB2  GLN 686           HB2      GLN 686  -4.903   4.207  10.332
   72    HB3  GLN 686           HB3      GLN 686  -5.588   5.451  11.346
   73    HG2  GLN 686           HG2      GLN 686  -7.043   3.005  10.288
   74    HG3  GLN 686           HG3      GLN 686  -6.541   3.317  11.951
   75   HE21  GLN 686          HE22      GLN 686  -7.417   6.066  12.318
   76   HE22  GLN 686          HE21      GLN 686  -9.147   6.047  12.170
   77    H    VAL 687           H        VAL 687  -3.788   6.133   8.924
   78    HA   VAL 687           HA       VAL 687  -3.785   8.711  10.117
   79    HB   VAL 687           HB       VAL 687  -1.707   7.597   8.189
   80   HG11  VAL 687          HG11      VAL 687  -0.129   8.938   9.567
   81   HG12  VAL 687          HG12      VAL 687  -1.379   9.962   8.848
   82   HG13  VAL 687          HG13      VAL 687  -1.493   9.509  10.561
   83   HG21  VAL 687          HG21      VAL 687  -2.053   5.841   9.842
   84   HG22  VAL 687          HG22      VAL 687  -0.560   6.692  10.248
   85   HG23  VAL 687          HG23      VAL 687  -2.045   7.028  11.167
   86    H    PHE 688           H        PHE 688  -4.217   7.586   6.758
   87    HA   PHE 688           HA       PHE 688  -4.012  10.187   5.591
   88    HB2  PHE 688           HB2      PHE 688  -3.839   8.074   4.282
   89    HB3  PHE 688           HB3      PHE 688  -5.552   7.751   4.589
   90    HD1  PHE 688           HD1      PHE 688  -3.221  10.338   3.226
   91    HD2  PHE 688           HD2      PHE 688  -7.246   8.807   3.227
   92    HE1  PHE 688           HE1      PHE 688  -3.818  11.920   1.436
   93    HE2  PHE 688           HE2      PHE 688  -7.818  10.328   1.342
   94    HZ   PHE 688           HZ       PHE 688  -6.079  11.886   0.447
   95    H    TYR 689           H        TYR 689  -6.817   8.373   6.965
   96    HA   TYR 689           HA       TYR 689  -8.613  10.528   6.087
   97    HB2  TYR 689           HB2      TYR 689  -9.024   7.934   7.587
   98    HB3  TYR 689           HB3      TYR 689 -10.324   9.096   7.268
   99    HD1  TYR 689           HD1      TYR 689 -10.133   9.929   4.555
  100    HD2  TYR 689           HD2      TYR 689  -9.251   6.058   6.225
  101    HE1  TYR 689           HE1      TYR 689 -10.543   8.890   2.346
  102    HE2  TYR 689           HE2      TYR 689  -9.693   5.001   4.039
  103    HH   TYR 689           HH       TYR 689 -10.354   5.343   1.831
  104    H    GLU 690           H        GLU 690  -6.737   9.800   8.931
  105    HA   GLU 690           HA       GLU 690  -8.085  11.649  10.695
  106    HB2  GLU 690           HB2      GLU 690  -5.314  10.403  10.547
  107    HB3  GLU 690           HB3      GLU 690  -5.738  11.533  11.830
  108    HG2  GLU 690           HG2      GLU 690  -7.250  10.096  12.850
  109    HG3  GLU 690           HG3      GLU 690  -7.582   9.197  11.381
  110    H    LEU 691           H        LEU 691  -6.230  12.131   7.832
  111    HA   LEU 691           HA       LEU 691  -5.250  14.779   8.441
  112    HB2  LEU 691           HB2      LEU 691  -6.023  13.566   5.755
  113    HB3  LEU 691           HB3      LEU 691  -5.115  15.049   5.965
  114    HG   LEU 691           HG       LEU 691  -4.160  12.281   6.745
  115   HD11  LEU 691          HD11      LEU 691  -3.127  14.107   4.553
  116   HD12  LEU 691          HD12      LEU 691  -2.622  12.446   4.917
  117   HD13  LEU 691          HD13      LEU 691  -4.256  12.757   4.303
  118   HD21  LEU 691          HD21      LEU 691  -2.696  14.952   6.929
  119   HD22  LEU 691          HD22      LEU 691  -3.166  13.892   8.287
  120   HD23  LEU 691          HD23      LEU 691  -1.957  13.341   7.137
  121    HA   PRO 692           HA       PRO 692  -9.040  17.089   8.247
  122    HB2  PRO 692           HB2      PRO 692  -7.781  19.003   6.308
  123    HB3  PRO 692           HB3      PRO 692  -8.524  19.346   7.895
  124    HG2  PRO 692           HG2      PRO 692  -5.812  19.383   7.564
  125    HG3  PRO 692           HG3      PRO 692  -6.553  18.734   9.065
  126    HD2  PRO 692           HD2      PRO 692  -5.543  17.198   6.659
  127    HD3  PRO 692           HD3      PRO 692  -5.280  16.868   8.412
  128    H    GLU 693           H        GLU 693 -10.825  17.043   6.964
  129    HA   GLU 693           HA       GLU 693 -11.458  15.617   4.850
  130    HB2  GLU 693           HB2      GLU 693 -13.022  17.041   6.084
  131    HB3  GLU 693           HB3      GLU 693 -12.263  18.501   5.469
  132    HG2  GLU 693           HG2      GLU 693 -14.388  18.145   4.359
  133    HG3  GLU 693           HG3      GLU 693 -13.071  18.043   3.193
  134    H    ALA 694           H        ALA 694 -10.504  19.019   4.255
  135    HA   ALA 694           HA       ALA 694 -10.427  18.580   1.487
  136    HB1  ALA 694           HB1      ALA 694  -9.173  20.796   3.184
  137    HB2  ALA 694           HB2      ALA 694  -9.462  20.894   1.428
  138    HB3  ALA 694           HB3      ALA 694 -10.845  20.778   2.533
  139    H    VAL 695           H        VAL 695  -7.884  17.919   3.782
  140    HA   VAL 695           HA       VAL 695  -5.779  18.137   1.804
  141    HB   VAL 695           HB       VAL 695  -5.863  16.791   4.526
  142   HG11  VAL 695          HG11      VAL 695  -4.219  15.599   3.127
  143   HG12  VAL 695          HG12      VAL 695  -3.472  17.144   2.681
  144   HG13  VAL 695          HG13      VAL 695  -3.408  16.575   4.368
  145   HG21  VAL 695          HG21      VAL 695  -5.942  19.255   4.624
  146   HG22  VAL 695          HG22      VAL 695  -4.357  18.683   5.168
  147   HG23  VAL 695          HG23      VAL 695  -4.535  19.357   3.537
  148    H    GLN 696           H        GLN 696  -8.174  15.742   2.888
  149    HA   GLN 696           HA       GLN 696  -6.775  13.438   1.825
  150    HB2  GLN 696           HB2      GLN 696  -9.746  13.874   2.283
  151    HB3  GLN 696           HB3      GLN 696  -8.981  12.323   2.025
  152    HG2  GLN 696           HG2      GLN 696  -8.026  12.350   4.210
  153    HG3  GLN 696           HG3      GLN 696  -8.364  14.066   4.435
  154   HE21  GLN 696          HE22      GLN 696  -9.465  13.305   6.472
  155   HE22  GLN 696          HE21      GLN 696 -11.075  12.674   6.366
  156    H    LYS 697           H        LYS 697  -9.346  15.634   0.870
  157    HA   LYS 697           HA       LYS 697  -9.932  14.469  -1.682
  158    HB2  LYS 697           HB2      LYS 697 -10.572  17.031  -0.209
  159    HB3  LYS 697           HB3      LYS 697 -10.986  16.895  -1.927
  160    HG2  LYS 697           HG2      LYS 697 -12.933  16.282  -0.633
  161    HG3  LYS 697           HG3      LYS 697 -12.316  14.836  -1.450
  162    HD2  LYS 697           HD2      LYS 697 -11.191  14.240   0.764
  163    HD3  LYS 697           HD3      LYS 697 -12.067  15.632   1.459
  164    HE2  LYS 697           HE2      LYS 697 -14.166  14.523   0.805
  165    HE3  LYS 697           HE3      LYS 697 -13.245  13.107   0.234
  166    HZ1  LYS 697           HZ1      LYS 697 -12.383  13.038   2.671
  167    HZ2  LYS 697           HZ2      LYS 697 -13.500  14.184   2.972
  168    HZ3  LYS 697           HZ3      LYS 697 -14.003  12.740   2.489
  169    H    GLU 698           H        GLU 698  -7.826  17.254  -0.727
  170    HA   GLU 698           HA       GLU 698  -7.026  17.828  -3.380
  171    HB2  GLU 698           HB2      GLU 698  -6.743  19.409  -1.548
  172    HB3  GLU 698           HB3      GLU 698  -5.701  18.280  -0.684
  173    HG2  GLU 698           HG2      GLU 698  -4.366  20.026  -1.612
  174    HG3  GLU 698           HG3      GLU 698  -3.960  18.522  -2.417
  175    H    LEU 699           H        LEU 699  -5.598  15.579  -0.924
  176    HA   LEU 699           HA       LEU 699  -3.365  14.791  -2.555
  177    HB2  LEU 699           HB2      LEU 699  -4.859  13.603  -0.215
  178    HB3  LEU 699           HB3      LEU 699  -3.676  12.639  -1.044
  179    HG   LEU 699           HG       LEU 699  -3.161  14.130   1.139
  180   HD11  LEU 699          HD11      LEU 699  -0.752  13.918   0.577
  181   HD12  LEU 699          HD12      LEU 699  -1.689  12.448   0.290
  182   HD13  LEU 699          HD13      LEU 699  -1.213  13.468  -1.086
  183   HD21  LEU 699          HD21      LEU 699  -3.440  16.346   0.050
  184   HD22  LEU 699          HD22      LEU 699  -1.800  16.080   0.650
  185   HD23  LEU 699          HD23      LEU 699  -2.138  15.941  -1.086
  186    H    LEU 700           H        LEU 700  -6.728  13.586  -2.434
  187    HA   LEU 700           HA       LEU 700  -6.191  11.425  -4.272
  188    HB2  LEU 700           HB2      LEU 700  -8.710  12.895  -3.416
  189    HB3  LEU 700           HB3      LEU 700  -8.756  11.622  -4.635
  190    HG   LEU 700           HG       LEU 700  -7.564  11.138  -1.874
  191   HD11  LEU 700          HD11      LEU 700 -10.442  10.649  -2.761
  192   HD12  LEU 700          HD12      LEU 700  -9.708  10.136  -1.217
  193   HD13  LEU 700          HD13      LEU 700  -9.893  11.858  -1.570
  194   HD21  LEU 700          HD21      LEU 700  -8.030   8.773  -2.405
  195   HD22  LEU 700          HD22      LEU 700  -8.683   9.240  -3.991
  196   HD23  LEU 700          HD23      LEU 700  -6.967   9.481  -3.619
  197    H    ALA 701           H        ALA 701  -7.210  14.855  -4.704
  198    HA   ALA 701           HA       ALA 701  -7.432  14.697  -7.557
  199    HB1  ALA 701           HB1      ALA 701  -7.301  17.145  -7.474
  200    HB2  ALA 701           HB2      ALA 701  -8.385  16.556  -6.199
  201    HB3  ALA 701           HB3      ALA 701  -6.738  17.092  -5.796
  202    H    GLU 702           H        GLU 702  -4.693  15.345  -5.336
  203    HA   GLU 702           HA       GLU 702  -2.809  16.034  -7.281
  204    HB2  GLU 702           HB2      GLU 702  -2.588  16.356  -4.784
  205    HB3  GLU 702           HB3      GLU 702  -2.261  14.629  -4.634
  206    HG2  GLU 702           HG2      GLU 702  -0.168  15.801  -4.615
  207    HG3  GLU 702           HG3      GLU 702  -0.267  14.911  -6.136
  208    H    TRP 703           H        TRP 703  -3.365  12.840  -5.690
  209    HA   TRP 703           HA       TRP 703  -1.702  11.396  -7.520
  210    HB2  TRP 703           HB2      TRP 703  -4.029  10.529  -5.748
  211    HB3  TRP 703           HB3      TRP 703  -2.880   9.411  -6.494
  212    HD1  TRP 703           HD1      TRP 703  -0.207  11.092  -5.662
  213    HE1  TRP 703           HE1      TRP 703   0.545  10.977  -3.213
  214    HE3  TRP 703           HE3      TRP 703  -4.651   9.807  -3.546
  215    HZ2  TRP 703           HZ2      TRP 703  -0.676  10.431  -0.619
  216    HZ3  TRP 703           HZ3      TRP 703  -4.877   9.591  -1.094
  217    HH2  TRP 703           HH2      TRP 703  -2.890   9.835   0.367
  218    H    LYS 704           H        LYS 704  -4.828  12.793  -8.094
  219    HA   LYS 704           HA       LYS 704  -4.970  11.126 -10.520
  220    HB2  LYS 704           HB2      LYS 704  -6.961  11.256  -8.929
  221    HB3  LYS 704           HB3      LYS 704  -7.126  12.936  -9.411
  222    HG2  LYS 704           HG2      LYS 704  -8.757  11.683 -10.564
  223    HG3  LYS 704           HG3      LYS 704  -7.606  12.167 -11.771
  224    HD2  LYS 704           HD2      LYS 704  -7.908   9.417 -10.495
  225    HD3  LYS 704           HD3      LYS 704  -8.429   9.888 -12.106
  226    HE2  LYS 704           HE2      LYS 704  -5.577   9.494 -11.126
  227    HE3  LYS 704           HE3      LYS 704  -6.444   8.530 -12.296
  228    HZ1  LYS 704           HZ1      LYS 704  -6.288  10.348 -13.867
  229    HZ2  LYS 704           HZ2      LYS 704  -5.619  11.355 -12.707
  230    HZ3  LYS 704           HZ3      LYS 704  -4.807  10.090 -13.178
  231    H    ARG 705           H        ARG 705  -3.611  14.041  -9.710
  232    HA   ARG 705           HA       ARG 705  -3.706  14.802 -12.592
  233    HB2  ARG 705           HB2      ARG 705  -3.389  17.069 -12.037
  234    HB3  ARG 705           HB3      ARG 705  -4.668  16.466 -10.976
  235    HG2  ARG 705           HG2      ARG 705  -2.616  16.136  -9.313
  236    HG3  ARG 705           HG3      ARG 705  -1.862  17.356 -10.322
  237    HD2  ARG 705           HD2      ARG 705  -3.761  18.897  -9.897
  238    HD3  ARG 705           HD3      ARG 705  -4.585  17.628  -8.964
  239    HE   ARG 705           HE       ARG 705  -1.938  18.189  -7.940
  240   HH11  ARG 705          HH12      ARG 705  -5.378  19.060  -7.645
  241   HH12  ARG 705          HH11      ARG 705  -5.183  19.682  -6.024
  242   HH21  ARG 705          HH22      ARG 705  -1.741  19.097  -5.829
  243   HH22  ARG 705          HH21      ARG 705  -3.100  19.982  -5.145
  244    H    THR 706           H        THR 706  -1.748  13.289 -10.339
  245    HA   THR 706           HA       THR 706   0.696  13.906 -11.933
  246    HB   THR 706           HB       THR 706   1.895  13.066  -9.885
  247    HG1  THR 706           HG1      THR 706  -0.597  13.434  -8.604
  248   HG21  THR 706          HG21      THR 706   1.562  15.184  -8.605
  249   HG22  THR 706          HG22      THR 706   1.684  15.477 -10.352
  250   HG23  THR 706          HG23      THR 706   0.103  15.521  -9.557
  251    H    GLY 707           H        GLY 707  -1.747  11.728 -11.512
  252    HA2  GLY 707           HA2      GLY 707  -0.670   9.772 -13.244
  253    HA3  GLY 707           HA3      GLY 707  -1.067   9.127 -11.616
  Start of MODEL    3
    1    H1   GLY  -3           H1       GLY  -3   4.155   3.484   6.716
    2    H2   GLY  -3           H2       GLY  -3   4.024   1.986   7.468
    3    H3   GLY  -3           H3       GLY  -3   4.091   2.123   5.835
    4    HA2  GLY  -3           HA2      GLY  -3   1.878   3.034   7.535
    5    HA3  GLY  -3           HA3      GLY  -3   2.036   3.304   5.782
    6    H    HIS  -2           H        HIS  -2   0.111   2.110   5.374
    7    HA   HIS  -2           HA       HIS  -2   0.611  -0.759   5.124
    8    HB2  HIS  -2           HB2      HIS  -2  -1.843   0.253   6.632
    9    HB3  HIS  -2           HB3      HIS  -2  -1.562  -1.401   6.105
   10    HD1  HIS  -2           HD1      HIS  -2  -1.422   0.532   9.120
   11    HD2  HIS  -2           HD2      HIS  -2   0.997  -2.409   7.307
   12    HE1  HIS  -2           HE1      HIS  -2  -0.028  -0.544  10.984
   13    H    MET  -1           H        MET  -1   0.217  -0.973   3.028
   14    HA   MET  -1           HA       MET  -1  -0.654  -0.758   0.958
   15    HB2  MET  -1           HB2      MET  -1  -2.872  -1.763   0.828
   16    HB3  MET  -1           HB3      MET  -1  -1.844  -2.580   1.996
   17    HG2  MET  -1           HG2      MET  -1  -2.992  -1.468   3.856
   18    HG3  MET  -1           HG3      MET  -1  -4.001  -0.561   2.725
   19    HE1  MET  -1           HE1      MET  -1  -6.145  -1.306   4.035
   20    HE2  MET  -1           HE2      MET  -1  -6.502  -2.990   4.479
   21    HE3  MET  -1           HE3      MET  -1  -5.094  -2.168   5.185
   22    H    PHE 679           H        PHE 679  -0.319   1.921   1.665
   23    HA   PHE 679           HA       PHE 679  -2.645   3.157   0.311
   24    HB2  PHE 679           HB2      PHE 679  -2.443   3.296   3.009
   25    HB3  PHE 679           HB3      PHE 679  -1.310   4.571   2.617
   26    HD1  PHE 679           HD1      PHE 679  -4.819   3.470   2.568
   27    HD2  PHE 679           HD2      PHE 679  -2.127   6.695   1.598
   28    HE1  PHE 679           HE1      PHE 679  -6.753   5.049   2.391
   29    HE2  PHE 679           HE2      PHE 679  -4.073   8.171   1.179
   30    HZ   PHE 679           HZ       PHE 679  -6.384   7.318   1.495
   31    HA   PRO 680           HA       PRO 680   0.337   5.627  -2.103
   32    HB2  PRO 680           HB2      PRO 680  -0.835   7.908  -0.503
   33    HB3  PRO 680           HB3      PRO 680  -0.502   7.843  -2.271
   34    HG2  PRO 680           HG2      PRO 680  -2.950   7.381  -0.906
   35    HG3  PRO 680           HG3      PRO 680  -2.639   6.939  -2.622
   36    HD2  PRO 680           HD2      PRO 680  -3.135   5.148  -0.511
   37    HD3  PRO 680           HD3      PRO 680  -2.418   4.751  -2.086
   38    H    SER 681           H        SER 681   2.351   6.656  -1.747
   39    HA   SER 681           HA       SER 681   4.269   7.137  -0.662
   40    HB2  SER 681           HB2      SER 681   2.379   8.992   0.818
   41    HB3  SER 681           HB3      SER 681   4.092   9.263   0.467
   42    HG   SER 681           HG       SER 681   2.844  10.355  -1.019
   43    H    ASP 682           H        ASP 682   2.842   4.904   0.715
   44    HA   ASP 682           HA       ASP 682   2.870   3.642   2.482
   45    HB2  ASP 682           HB2      ASP 682   5.272   3.546   1.975
   46    HB3  ASP 682           HB3      ASP 682   5.563   4.798   3.199
   47    H    ILE 683           H        ILE 683   1.446   6.014   2.732
   48    HA   ILE 683           HA       ILE 683   1.438   6.832   5.543
   49    HB   ILE 683           HB       ILE 683  -0.816   6.945   3.531
   50   HG12  ILE 683          HG12      ILE 683   1.244   9.198   3.959
   51   HG13  ILE 683          HG13      ILE 683   1.361   8.091   2.624
   52   HG21  ILE 683          HG21      ILE 683  -1.677   8.866   4.473
   53   HG22  ILE 683          HG22      ILE 683  -1.550   7.676   5.748
   54   HG23  ILE 683          HG23      ILE 683  -0.360   9.004   5.671
   55   HD11  ILE 683          HD11      ILE 683   0.371   9.952   1.714
   56   HD12  ILE 683          HD12      ILE 683  -0.976   8.788   1.917
   57   HD13  ILE 683          HD13      ILE 683  -0.782  10.170   3.026
   58    H    ASP 684           H        ASP 684  -0.866   6.201   6.643
   59    HA   ASP 684           HA       ASP 684  -1.490   3.327   6.149
   60    HB2  ASP 684           HB2      ASP 684  -0.413   3.285   8.238
   61    HB3  ASP 684           HB3      ASP 684  -1.074   4.838   8.725
   62    HA   PRO 685           HA       PRO 685  -5.088   5.178   4.854
   63    HB2  PRO 685           HB2      PRO 685  -6.897   3.097   6.066
   64    HB3  PRO 685           HB3      PRO 685  -6.640   3.454   4.333
   65    HG2  PRO 685           HG2      PRO 685  -5.653   1.184   5.526
   66    HG3  PRO 685           HG3      PRO 685  -4.721   2.041   4.256
   67    HD2  PRO 685           HD2      PRO 685  -4.483   2.304   7.266
   68    HD3  PRO 685           HD3      PRO 685  -3.167   2.036   6.069
   69    H    GLN 686           H        GLN 686  -5.147   4.194   8.303
   70    HA   GLN 686           HA       GLN 686  -7.481   5.794   8.911
   71    HB2  GLN 686           HB2      GLN 686  -6.593   3.817  10.323
   72    HB3  GLN 686           HB3      GLN 686  -5.319   4.919  10.864
   73    HG2  GLN 686           HG2      GLN 686  -7.289   6.546  11.458
   74    HG3  GLN 686           HG3      GLN 686  -8.331   5.141  11.261
   75   HE21  GLN 686          HE22      GLN 686  -5.662   6.563  13.121
   76   HE22  GLN 686          HE21      GLN 686  -5.832   5.509  14.520
   77    H    VAL 687           H        VAL 687  -3.919   6.035   9.182
   78    HA   VAL 687           HA       VAL 687  -3.727   8.631  10.207
   79    HB   VAL 687           HB       VAL 687  -1.800   7.276   8.227
   80   HG11  VAL 687          HG11      VAL 687  -1.334   9.542  10.220
   81   HG12  VAL 687          HG12      VAL 687  -0.059   8.674   9.325
   82   HG13  VAL 687          HG13      VAL 687  -1.247   9.647   8.453
   83   HG21  VAL 687          HG21      VAL 687  -1.876   7.352  11.316
   84   HG22  VAL 687          HG22      VAL 687  -2.260   5.936  10.347
   85   HG23  VAL 687          HG23      VAL 687  -0.607   6.574  10.333
   86    H    PHE 688           H        PHE 688  -4.356   7.591   6.869
   87    HA   PHE 688           HA       PHE 688  -4.053  10.247   5.780
   88    HB2  PHE 688           HB2      PHE 688  -3.815   8.179   4.400
   89    HB3  PHE 688           HB3      PHE 688  -5.527   7.838   4.638
   90    HD1  PHE 688           HD1      PHE 688  -3.245  10.622   3.580
   91    HD2  PHE 688           HD2      PHE 688  -7.114   8.796   3.160
   92    HE1  PHE 688           HE1      PHE 688  -3.831  12.264   1.839
   93    HE2  PHE 688           HE2      PHE 688  -7.673  10.381   1.323
   94    HZ   PHE 688           HZ       PHE 688  -5.997  12.108   0.646
   95    H    TYR 689           H        TYR 689  -6.953   8.257   6.710
   96    HA   TYR 689           HA       TYR 689  -8.676  10.449   5.850
   97    HB2  TYR 689           HB2      TYR 689  -9.237   7.791   7.153
   98    HB3  TYR 689           HB3      TYR 689 -10.485   8.950   6.642
   99    HD1  TYR 689           HD1      TYR 689 -10.026   9.787   4.018
  100    HD2  TYR 689           HD2      TYR 689  -9.009   5.974   5.743
  101    HE1  TYR 689           HE1      TYR 689  -9.894   8.792   1.748
  102    HE2  TYR 689           HE2      TYR 689  -8.864   4.974   3.498
  103    HH   TYR 689           HH       TYR 689  -8.964   5.371   1.201
  104    H    GLU 690           H        GLU 690  -7.001   9.752   8.783
  105    HA   GLU 690           HA       GLU 690  -8.585  11.394  10.557
  106    HB2  GLU 690           HB2      GLU 690  -5.676  10.466  10.455
  107    HB3  GLU 690           HB3      GLU 690  -6.236  11.586  11.699
  108    HG2  GLU 690           HG2      GLU 690  -7.817   9.994  12.564
  109    HG3  GLU 690           HG3      GLU 690  -7.514   8.865  11.259
  110    H    LEU 691           H        LEU 691  -6.544  12.110   7.826
  111    HA   LEU 691           HA       LEU 691  -5.704  14.716   8.654
  112    HB2  LEU 691           HB2      LEU 691  -6.148  13.610   5.854
  113    HB3  LEU 691           HB3      LEU 691  -5.278  15.096   6.224
  114    HG   LEU 691           HG       LEU 691  -4.413  12.286   6.954
  115   HD11  LEU 691          HD11      LEU 691  -4.101  12.981   4.588
  116   HD12  LEU 691          HD12      LEU 691  -3.074  14.322   5.147
  117   HD13  LEU 691          HD13      LEU 691  -2.584  12.637   5.435
  118   HD21  LEU 691          HD21      LEU 691  -3.711  13.666   8.796
  119   HD22  LEU 691          HD22      LEU 691  -2.315  13.281   7.805
  120   HD23  LEU 691          HD23      LEU 691  -3.055  14.899   7.682
  121    HA   PRO 692           HA       PRO 692  -9.385  17.109   8.276
  122    HB2  PRO 692           HB2      PRO 692  -7.934  19.084   6.533
  123    HB3  PRO 692           HB3      PRO 692  -8.810  19.367   8.064
  124    HG2  PRO 692           HG2      PRO 692  -6.074  19.352   7.971
  125    HG3  PRO 692           HG3      PRO 692  -6.956  18.633   9.361
  126    HD2  PRO 692           HD2      PRO 692  -5.780  17.207   6.958
  127    HD3  PRO 692           HD3      PRO 692  -5.689  16.769   8.707
  128    H    GLU 693           H        GLU 693 -11.099  17.314   6.838
  129    HA   GLU 693           HA       GLU 693 -11.287  15.677   4.741
  130    HB2  GLU 693           HB2      GLU 693 -13.184  16.803   5.892
  131    HB3  GLU 693           HB3      GLU 693 -12.734  18.342   5.181
  132    HG2  GLU 693           HG2      GLU 693 -14.689  17.457   4.067
  133    HG3  GLU 693           HG3      GLU 693 -13.338  17.532   2.932
  134    H    ALA 694           H        ALA 694 -10.532  19.131   4.333
  135    HA   ALA 694           HA       ALA 694 -10.376  18.918   1.517
  136    HB1  ALA 694           HB1      ALA 694  -9.319  21.167   1.644
  137    HB2  ALA 694           HB2      ALA 694 -10.749  21.048   2.691
  138    HB3  ALA 694           HB3      ALA 694  -9.113  20.955   3.406
  139    H    VAL 695           H        VAL 695  -7.953  18.146   3.924
  140    HA   VAL 695           HA       VAL 695  -5.761  18.292   2.054
  141    HB   VAL 695           HB       VAL 695  -6.015  16.899   4.746
  142   HG11  VAL 695          HG11      VAL 695  -3.541  16.747   4.723
  143   HG12  VAL 695          HG12      VAL 695  -4.282  15.765   3.447
  144   HG13  VAL 695          HG13      VAL 695  -3.540  17.322   3.037
  145   HG21  VAL 695          HG21      VAL 695  -4.592  18.764   5.566
  146   HG22  VAL 695          HG22      VAL 695  -4.651  19.509   3.956
  147   HG23  VAL 695          HG23      VAL 695  -6.129  19.359   4.928
  148    H    GLN 696           H        GLN 696  -8.185  15.883   3.104
  149    HA   GLN 696           HA       GLN 696  -6.795  13.609   1.992
  150    HB2  GLN 696           HB2      GLN 696  -9.776  14.063   2.382
  151    HB3  GLN 696           HB3      GLN 696  -9.023  12.517   2.016
  152    HG2  GLN 696           HG2      GLN 696  -8.038  12.409   4.223
  153    HG3  GLN 696           HG3      GLN 696  -8.529  14.077   4.577
  154   HE21  GLN 696          HE22      GLN 696  -9.789  13.301   6.430
  155   HE22  GLN 696          HE21      GLN 696 -11.346  12.557   6.154
  156    H    LYS 697           H        LYS 697  -9.300  15.863   0.973
  157    HA   LYS 697           HA       LYS 697  -9.872  14.792  -1.593
  158    HB2  LYS 697           HB2      LYS 697 -10.341  17.325  -0.084
  159    HB3  LYS 697           HB3      LYS 697 -10.414  17.452  -1.844
  160    HG2  LYS 697           HG2      LYS 697 -12.604  17.063  -1.197
  161    HG3  LYS 697           HG3      LYS 697 -12.077  15.534  -1.875
  162    HD2  LYS 697           HD2      LYS 697 -12.235  16.184   1.087
  163    HD3  LYS 697           HD3      LYS 697 -13.548  15.491   0.158
  164    HE2  LYS 697           HE2      LYS 697 -12.228  13.462  -0.316
  165    HE3  LYS 697           HE3      LYS 697 -10.891  14.102   0.646
  166    HZ1  LYS 697           HZ1      LYS 697 -12.292  12.583   2.008
  167    HZ2  LYS 697           HZ2      LYS 697 -12.365  14.071   2.602
  168    HZ3  LYS 697           HZ3      LYS 697 -13.589  13.630   1.777
  169    H    GLU 698           H        GLU 698  -7.595  17.525  -0.722
  170    HA   GLU 698           HA       GLU 698  -6.730  17.806  -3.407
  171    HB2  GLU 698           HB2      GLU 698  -5.984  18.915  -0.770
  172    HB3  GLU 698           HB3      GLU 698  -4.578  18.671  -1.789
  173    HG2  GLU 698           HG2      GLU 698  -7.071  20.200  -2.636
  174    HG3  GLU 698           HG3      GLU 698  -5.573  20.928  -2.048
  175    H    LEU 699           H        LEU 699  -5.468  15.716  -0.777
  176    HA   LEU 699           HA       LEU 699  -3.140  14.830  -2.263
  177    HB2  LEU 699           HB2      LEU 699  -4.752  13.787   0.062
  178    HB3  LEU 699           HB3      LEU 699  -3.512  12.788  -0.647
  179    HG   LEU 699           HG       LEU 699  -3.119  14.392   1.481
  180   HD11  LEU 699          HD11      LEU 699  -1.595  12.701   0.808
  181   HD12  LEU 699          HD12      LEU 699  -1.050  13.658  -0.589
  182   HD13  LEU 699          HD13      LEU 699  -0.694  14.196   1.072
  183   HD21  LEU 699          HD21      LEU 699  -1.782  16.352   0.966
  184   HD22  LEU 699          HD22      LEU 699  -2.028  16.123  -0.773
  185   HD23  LEU 699          HD23      LEU 699  -3.390  16.544   0.273
  186    H    LEU 700           H        LEU 700  -6.540  13.618  -2.183
  187    HA   LEU 700           HA       LEU 700  -5.873  11.403  -3.930
  188    HB2  LEU 700           HB2      LEU 700  -8.465  12.751  -3.118
  189    HB3  LEU 700           HB3      LEU 700  -8.448  11.526  -4.384
  190    HG   LEU 700           HG       LEU 700  -7.291  10.990  -1.619
  191   HD11  LEU 700          HD11      LEU 700 -10.099  10.385  -2.650
  192   HD12  LEU 700          HD12      LEU 700  -9.414   9.857  -1.097
  193   HD13  LEU 700          HD13      LEU 700  -9.675  11.579  -1.401
  194   HD21  LEU 700          HD21      LEU 700  -6.596   9.423  -3.493
  195   HD22  LEU 700          HD22      LEU 700  -7.542   8.636  -2.220
  196   HD23  LEU 700          HD23      LEU 700  -8.303   9.064  -3.772
  197    H    ALA 701           H        ALA 701  -6.922  14.794  -4.489
  198    HA   ALA 701           HA       ALA 701  -7.147  14.514  -7.340
  199    HB1  ALA 701           HB1      ALA 701  -6.419  16.965  -5.677
  200    HB2  ALA 701           HB2      ALA 701  -6.957  16.963  -7.364
  201    HB3  ALA 701           HB3      ALA 701  -8.069  16.447  -6.077
  202    H    GLU 702           H        GLU 702  -4.410  15.291  -5.141
  203    HA   GLU 702           HA       GLU 702  -2.491  15.754  -7.101
  204    HB2  GLU 702           HB2      GLU 702  -2.274  16.204  -4.616
  205    HB3  GLU 702           HB3      GLU 702  -1.985  14.480  -4.379
  206    HG2  GLU 702           HG2      GLU 702   0.135  15.615  -4.423
  207    HG3  GLU 702           HG3      GLU 702   0.010  14.642  -5.894
  208    H    TRP 703           H        TRP 703  -3.168  12.685  -5.335
  209    HA   TRP 703           HA       TRP 703  -1.518  11.089  -7.033
  210    HB2  TRP 703           HB2      TRP 703  -3.872  10.404  -5.217
  211    HB3  TRP 703           HB3      TRP 703  -2.731   9.213  -5.848
  212    HD1  TRP 703           HD1      TRP 703  -0.082  11.038  -5.152
  213    HE1  TRP 703           HE1      TRP 703   0.668  11.176  -2.719
  214    HE3  TRP 703           HE3      TRP 703  -4.484   9.800  -2.920
  215    HZ2  TRP 703           HZ2      TRP 703  -0.520  10.672  -0.056
  216    HZ3  TRP 703           HZ3      TRP 703  -4.680   9.689  -0.453
  217    HH2  TRP 703           HH2      TRP 703  -2.675  10.070   0.967
  218    H    LYS 704           H        LYS 704  -4.571  12.514  -7.788
  219    HA   LYS 704           HA       LYS 704  -4.732  10.664 -10.082
  220    HB2  LYS 704           HB2      LYS 704  -6.738  10.892  -8.534
  221    HB3  LYS 704           HB3      LYS 704  -6.882  12.555  -9.081
  222    HG2  LYS 704           HG2      LYS 704  -8.528  11.265 -10.174
  223    HG3  LYS 704           HG3      LYS 704  -7.381  11.709 -11.404
  224    HD2  LYS 704           HD2      LYS 704  -7.689   8.999 -10.052
  225    HD3  LYS 704           HD3      LYS 704  -8.217   9.427 -11.671
  226    HE2  LYS 704           HE2      LYS 704  -5.367   9.036 -10.693
  227    HE3  LYS 704           HE3      LYS 704  -6.237   8.053 -11.842
  228    HZ1  LYS 704           HZ1      LYS 704  -5.431  10.867 -12.340
  229    HZ2  LYS 704           HZ2      LYS 704  -4.581   9.596 -12.722
  230    HZ3  LYS 704           HZ3      LYS 704  -6.044   9.793 -13.469
  231    H    ARG 705           H        ARG 705  -3.354  13.595  -9.435
  232    HA   ARG 705           HA       ARG 705  -3.415  14.189 -12.362
  233    HB2  ARG 705           HB2      ARG 705  -3.003  16.480 -11.932
  234    HB3  ARG 705           HB3      ARG 705  -4.314  15.977 -10.860
  235    HG2  ARG 705           HG2      ARG 705  -2.348  15.683  -9.133
  236    HG3  ARG 705           HG3      ARG 705  -1.481  16.779 -10.202
  237    HD2  ARG 705           HD2      ARG 705  -3.260  18.466  -9.958
  238    HD3  ARG 705           HD3      ARG 705  -4.233  17.321  -9.014
  239    HE   ARG 705           HE       ARG 705  -1.600  17.827  -7.874
  240   HH11  ARG 705          HH11      ARG 705  -5.066  18.720  -7.795
  241   HH12  ARG 705          HH12      ARG 705  -4.968  19.393  -6.202
  242   HH21  ARG 705          HH21      ARG 705  -1.539  18.771  -5.753
  243   HH22  ARG 705          HH22      ARG 705  -2.999  19.539  -5.120
  244    H    THR 706           H        THR 706  -1.462  12.953  -9.877
  245    HA   THR 706           HA       THR 706   0.973  13.262 -11.562
  246    HB   THR 706           HB       THR 706   2.144  12.522  -9.452
  247    HG1  THR 706           HG1      THR 706  -0.336  13.081  -8.223
  248   HG21  THR 706          HG21      THR 706   2.060  14.890 -10.080
  249   HG22  THR 706          HG22      THR 706   0.451  15.072  -9.358
  250   HG23  THR 706          HG23      THR 706   1.858  14.746  -8.321
  251    H    GLY 707           H        GLY 707  -1.540  11.222 -11.093
  252    HA2  GLY 707           HA2      GLY 707  -0.459   9.120 -12.641
  253    HA3  GLY 707           HA3      GLY 707  -0.950   8.582 -11.001
  Start of MODEL    4
    1    H1   GLY  -3           H1       GLY  -3   1.904  11.368  -5.002
    2    H2   GLY  -3           H2       GLY  -3   0.621  10.364  -4.926
    3    H3   GLY  -3           H3       GLY  -3   2.064   9.848  -4.337
    4    HA2  GLY  -3           HA2      GLY  -3   1.583  10.527  -7.137
    5    HA3  GLY  -3           HA3      GLY  -3   3.010   9.695  -6.469
    6    H    HIS  -2           H        HIS  -2   0.140   9.173  -8.056
    7    HA   HIS  -2           HA       HIS  -2  -1.223   7.491  -8.475
    8    HB2  HIS  -2           HB2      HIS  -2   0.734   6.055  -8.778
    9    HB3  HIS  -2           HB3      HIS  -2   0.754   5.680  -7.057
   10    HD1  HIS  -2           HD1      HIS  -2  -2.304   5.475  -9.538
   11    HD2  HIS  -2           HD2      HIS  -2  -0.048   3.272  -6.725
   12    HE1  HIS  -2           HE1      HIS  -2  -3.387   3.204  -9.357
   13    H    MET  -1           H        MET  -1  -2.694   5.855  -7.340
   14    HA   MET  -1           HA       MET  -1  -4.322   7.313  -5.794
   15    HB2  MET  -1           HB2      MET  -1  -4.776   5.211  -7.149
   16    HB3  MET  -1           HB3      MET  -1  -4.283   4.286  -5.730
   17    HG2  MET  -1           HG2      MET  -1  -6.668   4.425  -5.788
   18    HG3  MET  -1           HG3      MET  -1  -6.128   5.391  -4.428
   19    HE1  MET  -1           HE1      MET  -1  -7.606   8.807  -5.038
   20    HE2  MET  -1           HE2      MET  -1  -7.257   7.507  -3.881
   21    HE3  MET  -1           HE3      MET  -1  -5.930   8.297  -4.757
   22    H    PHE 679           H        PHE 679  -1.747   5.320  -4.425
   23    HA   PHE 679           HA       PHE 679  -2.084   6.792  -2.009
   24    HB2  PHE 679           HB2      PHE 679  -3.094   4.035  -1.995
   25    HB3  PHE 679           HB3      PHE 679  -1.781   4.266  -0.850
   26    HD1  PHE 679           HD2      PHE 679  -2.018   6.889   0.256
   27    HD2  PHE 679           HD1      PHE 679  -5.143   4.068  -0.731
   28    HE1  PHE 679           HE2      PHE 679  -3.457   7.914   1.917
   29    HE2  PHE 679           HE1      PHE 679  -6.579   5.090   1.078
   30    HZ   PHE 679           HZ       PHE 679  -5.720   6.927   2.409
   31    HA   PRO 680           HA       PRO 680   2.397   5.995  -2.364
   32    HB2  PRO 680           HB2      PRO 680   2.107   7.668   0.145
   33    HB3  PRO 680           HB3      PRO 680   3.373   7.796  -1.129
   34    HG2  PRO 680           HG2      PRO 680   1.349   9.545  -1.070
   35    HG3  PRO 680           HG3      PRO 680   1.758   8.763  -2.646
   36    HD2  PRO 680           HD2      PRO 680  -0.425   8.001  -0.684
   37    HD3  PRO 680           HD3      PRO 680  -0.517   8.185  -2.461
   38    H    SER 681           H        SER 681   3.800   5.991   0.272
   39    HA   SER 681           HA       SER 681   2.492   3.913   1.871
   40    HB2  SER 681           HB2      SER 681   5.247   3.356   0.711
   41    HB3  SER 681           HB3      SER 681   4.262   2.295   1.734
   42    HG   SER 681           HG       SER 681   2.699   2.826  -0.237
   43    H    ASP 682           H        ASP 682   3.950   6.812   1.889
   44    HA   ASP 682           HA       ASP 682   5.612   6.561   4.271
   45    HB2  ASP 682           HB2      ASP 682   5.550   9.063   4.136
   46    HB3  ASP 682           HB3      ASP 682   6.154   8.283   2.681
   47    H    ILE 683           H        ILE 683   2.349   6.162   3.806
   48    HA   ILE 683           HA       ILE 683   1.532   7.130   6.445
   49    HB   ILE 683           HB       ILE 683  -0.584   7.876   5.197
   50   HG12  ILE 683          HG12      ILE 683   1.274   7.914   2.793
   51   HG13  ILE 683          HG13      ILE 683  -0.156   6.902   3.045
   52   HG21  ILE 683          HG21      ILE 683   1.859   9.615   4.779
   53   HG22  ILE 683          HG22      ILE 683   0.167  10.143   4.943
   54   HG23  ILE 683          HG23      ILE 683   0.996   9.411   6.324
   55   HD11  ILE 683          HD11      ILE 683  -0.735   8.627   1.557
   56   HD12  ILE 683          HD12      ILE 683  -1.526   9.022   3.097
   57   HD13  ILE 683          HD13      ILE 683  -0.084   9.917   2.597
   58    H    ASP 684           H        ASP 684  -0.616   6.235   6.943
   59    HA   ASP 684           HA       ASP 684  -1.121   3.549   5.785
   60    HB2  ASP 684           HB2      ASP 684  -0.645   3.230   8.069
   61    HB3  ASP 684           HB3      ASP 684  -1.422   4.736   8.553
   62    HA   PRO 685           HA       PRO 685  -4.579   5.464   3.982
   63    HB2  PRO 685           HB2      PRO 685  -6.353   3.111   4.551
   64    HB3  PRO 685           HB3      PRO 685  -5.879   3.783   2.972
   65    HG2  PRO 685           HG2      PRO 685  -4.823   1.443   3.868
   66    HG3  PRO 685           HG3      PRO 685  -3.776   2.644   3.030
   67    HD2  PRO 685           HD2      PRO 685  -4.243   2.339   6.020
   68    HD3  PRO 685           HD3      PRO 685  -2.662   2.313   5.147
   69    H    GLN 686           H        GLN 686  -5.311   4.017   7.183
   70    HA   GLN 686           HA       GLN 686  -7.801   5.495   7.420
   71    HB2  GLN 686           HB2      GLN 686  -6.142   3.766   9.293
   72    HB3  GLN 686           HB3      GLN 686  -7.337   4.858   9.954
   73    HG2  GLN 686           HG2      GLN 686  -7.870   2.629   7.964
   74    HG3  GLN 686           HG3      GLN 686  -8.291   2.646   9.683
   75   HE21  GLN 686          HE22      GLN 686  -9.436   5.246  10.043
   76   HE22  GLN 686          HE21      GLN 686 -10.827   5.356   8.998
   77    H    VAL 687           H        VAL 687  -4.427   5.704   8.555
   78    HA   VAL 687           HA       VAL 687  -4.691   8.098  10.068
   79    HB   VAL 687           HB       VAL 687  -2.312   6.993   8.476
   80   HG11  VAL 687          HG11      VAL 687  -1.872   9.356   8.930
   81   HG12  VAL 687          HG12      VAL 687  -2.320   9.138  10.632
   82   HG13  VAL 687          HG13      VAL 687  -0.869   8.342   9.977
   83   HG21  VAL 687          HG21      VAL 687  -3.015   6.817  11.454
   84   HG22  VAL 687          HG22      VAL 687  -3.150   5.486  10.299
   85   HG23  VAL 687          HG23      VAL 687  -1.559   6.141  10.685
   86    H    PHE 688           H        PHE 688  -4.048   7.630   6.551
   87    HA   PHE 688           HA       PHE 688  -4.009  10.382   5.926
   88    HB2  PHE 688           HB2      PHE 688  -3.296   8.718   4.325
   89    HB3  PHE 688           HB3      PHE 688  -4.888   7.962   4.305
   90    HD1  PHE 688           HD1      PHE 688  -3.282  11.309   3.864
   91    HD2  PHE 688           HD2      PHE 688  -6.590   8.766   2.776
   92    HE1  PHE 688           HE1      PHE 688  -4.177  13.053   2.398
   93    HE2  PHE 688           HE2      PHE 688  -7.345  10.430   1.126
   94    HZ   PHE 688           HZ       PHE 688  -6.097  12.588   0.899
   95    H    TYR 689           H        TYR 689  -6.890   8.116   5.860
   96    HA   TYR 689           HA       TYR 689  -8.506  10.219   4.770
   97    HB2  TYR 689           HB2      TYR 689  -9.095   7.536   6.021
   98    HB3  TYR 689           HB3      TYR 689 -10.384   8.618   5.480
   99    HD1  TYR 689           HD1      TYR 689  -9.771   9.609   2.927
  100    HD2  TYR 689           HD2      TYR 689  -8.846   5.741   4.576
  101    HE1  TYR 689           HE1      TYR 689  -9.724   8.658   0.642
  102    HE2  TYR 689           HE2      TYR 689  -8.782   4.779   2.310
  103    HH   TYR 689           HH       TYR 689  -9.025   5.198   0.045
  104    H    GLU 690           H        GLU 690  -7.757   9.300   8.080
  105    HA   GLU 690           HA       GLU 690  -9.703  11.015   9.349
  106    HB2  GLU 690           HB2      GLU 690  -7.139   9.627  10.232
  107    HB3  GLU 690           HB3      GLU 690  -8.144  10.580  11.332
  108    HG2  GLU 690           HG2      GLU 690 -10.021   9.128  11.102
  109    HG3  GLU 690           HG3      GLU 690  -9.364   8.322   9.696
  110    H    LEU 691           H        LEU 691  -7.052  11.884   7.419
  111    HA   LEU 691           HA       LEU 691  -6.311  14.275   8.863
  112    HB2  LEU 691           HB2      LEU 691  -6.175  13.544   5.911
  113    HB3  LEU 691           HB3      LEU 691  -5.532  15.036   6.550
  114    HG   LEU 691           HG       LEU 691  -4.515  12.254   7.210
  115   HD11  LEU 691          HD11      LEU 691  -3.899  13.304   5.005
  116   HD12  LEU 691          HD12      LEU 691  -3.102  14.611   5.908
  117   HD13  LEU 691          HD13      LEU 691  -2.525  12.936   6.066
  118   HD21  LEU 691          HD21      LEU 691  -4.302  13.520   9.263
  119   HD22  LEU 691          HD22      LEU 691  -2.726  13.397   8.504
  120   HD23  LEU 691          HD23      LEU 691  -3.634  14.925   8.387
  121    HA   PRO 692           HA       PRO 692  -9.788  16.846   8.334
  122    HB2  PRO 692           HB2      PRO 692  -8.135  18.979   7.007
  123    HB3  PRO 692           HB3      PRO 692  -9.147  19.096   8.473
  124    HG2  PRO 692           HG2      PRO 692  -6.424  19.007   8.622
  125    HG3  PRO 692           HG3      PRO 692  -7.451  18.160   9.833
  126    HD2  PRO 692           HD2      PRO 692  -6.078  16.997   7.397
  127    HD3  PRO 692           HD3      PRO 692  -6.160  16.329   9.068
  128    H    GLU 693           H        GLU 693 -11.348  17.112   6.798
  129    HA   GLU 693           HA       GLU 693 -11.273  15.809   4.495
  130    HB2  GLU 693           HB2      GLU 693 -13.302  16.655   5.649
  131    HB3  GLU 693           HB3      GLU 693 -12.911  18.301   5.173
  132    HG2  GLU 693           HG2      GLU 693 -14.721  17.500   3.812
  133    HG3  GLU 693           HG3      GLU 693 -13.300  17.748   2.801
  134    H    ALA 694           H        ALA 694 -10.415  19.251   4.680
  135    HA   ALA 694           HA       ALA 694 -10.144  19.437   1.818
  136    HB1  ALA 694           HB1      ALA 694  -9.160  21.231   4.078
  137    HB2  ALA 694           HB2      ALA 694  -9.184  21.679   2.344
  138    HB3  ALA 694           HB3      ALA 694 -10.716  21.368   3.195
  139    H    VAL 695           H        VAL 695  -7.920  18.481   4.348
  140    HA   VAL 695           HA       VAL 695  -5.584  18.744   2.656
  141    HB   VAL 695           HB       VAL 695  -6.093  17.185   5.217
  142   HG11  VAL 695          HG11      VAL 695  -4.358  15.998   3.968
  143   HG12  VAL 695          HG12      VAL 695  -3.477  17.517   3.706
  144   HG13  VAL 695          HG13      VAL 695  -3.645  16.848   5.349
  145   HG21  VAL 695          HG21      VAL 695  -4.495  19.730   4.696
  146   HG22  VAL 695          HG22      VAL 695  -6.061  19.637   5.531
  147   HG23  VAL 695          HG23      VAL 695  -4.635  18.892   6.259
  148    H    GLN 696           H        GLN 696  -7.860  16.153   3.730
  149    HA   GLN 696           HA       GLN 696  -6.842  14.064   2.313
  150    HB2  GLN 696           HB2      GLN 696  -8.833  14.339   4.037
  151    HB3  GLN 696           HB3      GLN 696  -9.814  14.579   2.582
  152    HG2  GLN 696           HG2      GLN 696  -8.603  12.387   1.775
  153    HG3  GLN 696           HG3      GLN 696  -8.299  12.179   3.514
  154   HE21  GLN 696          HE22      GLN 696 -10.346  12.169   4.968
  155   HE22  GLN 696          HE21      GLN 696 -11.886  11.875   4.219
  156    H    LYS 697           H        LYS 697  -9.148  16.606   1.201
  157    HA   LYS 697           HA       LYS 697  -9.638  15.445  -1.375
  158    HB2  LYS 697           HB2      LYS 697 -10.148  18.079  -0.043
  159    HB3  LYS 697           HB3      LYS 697  -9.971  18.149  -1.779
  160    HG2  LYS 697           HG2      LYS 697 -12.272  17.961  -1.294
  161    HG3  LYS 697           HG3      LYS 697 -11.758  16.489  -2.106
  162    HD2  LYS 697           HD2      LYS 697 -12.161  16.754   0.901
  163    HD3  LYS 697           HD3      LYS 697 -13.419  16.261  -0.216
  164    HE2  LYS 697           HE2      LYS 697 -12.036  14.321  -0.972
  165    HE3  LYS 697           HE3      LYS 697 -10.824  14.737   0.255
  166    HZ1  LYS 697           HZ1      LYS 697 -12.449  14.329   1.959
  167    HZ2  LYS 697           HZ2      LYS 697 -13.621  14.087   0.967
  168    HZ3  LYS 697           HZ3      LYS 697 -12.320  13.002   1.048
  169    H    GLU 698           H        GLU 698  -7.146  17.905  -0.372
  170    HA   GLU 698           HA       GLU 698  -6.258  18.143  -3.081
  171    HB2  GLU 698           HB2      GLU 698  -5.944  19.897  -1.429
  172    HB3  GLU 698           HB3      GLU 698  -4.913  18.859  -0.450
  173    HG2  GLU 698           HG2      GLU 698  -3.643  20.530  -1.786
  174    HG3  GLU 698           HG3      GLU 698  -3.160  18.869  -2.100
  175    H    LEU 699           H        LEU 699  -5.054  16.084  -0.333
  176    HA   LEU 699           HA       LEU 699  -2.893  14.933  -1.816
  177    HB2  LEU 699           HB2      LEU 699  -4.561  14.254   0.583
  178    HB3  LEU 699           HB3      LEU 699  -3.562  12.983  -0.096
  179    HG   LEU 699           HG       LEU 699  -2.656  14.396   1.855
  180   HD11  LEU 699          HD11      LEU 699  -1.317  12.788   0.922
  181   HD12  LEU 699          HD12      LEU 699  -1.077  13.671  -0.606
  182   HD13  LEU 699          HD13      LEU 699  -0.312  14.238   0.906
  183   HD21  LEU 699          HD21      LEU 699  -1.868  16.334  -0.345
  184   HD22  LEU 699          HD22      LEU 699  -3.073  16.648   0.927
  185   HD23  LEU 699          HD23      LEU 699  -1.382  16.379   1.357
  186    H    LEU 700           H        LEU 700  -6.341  13.864  -1.488
  187    HA   LEU 700           HA       LEU 700  -6.054  11.582  -3.184
  188    HB2  LEU 700           HB2      LEU 700  -8.409  13.433  -2.603
  189    HB3  LEU 700           HB3      LEU 700  -8.548  12.054  -3.681
  190    HG   LEU 700           HG       LEU 700  -7.711  11.795  -0.762
  191   HD11  LEU 700          HD11      LEU 700 -10.450  11.422  -2.046
  192   HD12  LEU 700          HD12      LEU 700 -10.012  10.990  -0.378
  193   HD13  LEU 700          HD13      LEU 700  -9.975  12.683  -0.878
  194   HD21  LEU 700          HD21      LEU 700  -6.985   9.897  -2.162
  195   HD22  LEU 700          HD22      LEU 700  -8.284   9.411  -1.085
  196   HD23  LEU 700          HD23      LEU 700  -8.636   9.715  -2.797
  197    H    ALA 701           H        ALA 701  -6.646  15.054  -3.906
  198    HA   ALA 701           HA       ALA 701  -6.976  14.641  -6.699
  199    HB1  ALA 701           HB1      ALA 701  -5.963  17.145  -5.310
  200    HB2  ALA 701           HB2      ALA 701  -6.651  17.017  -6.946
  201    HB3  ALA 701           HB3      ALA 701  -7.670  16.711  -5.526
  202    H    GLU 702           H        GLU 702  -3.950  15.390  -4.794
  203    HA   GLU 702           HA       GLU 702  -2.164  15.393  -6.994
  204    HB2  GLU 702           HB2      GLU 702  -1.556  15.948  -4.651
  205    HB3  GLU 702           HB3      GLU 702  -1.616  14.246  -4.211
  206    HG2  GLU 702           HG2      GLU 702   0.182  15.210  -6.468
  207    HG3  GLU 702           HG3      GLU 702   0.657  15.451  -4.795
  208    H    TRP 703           H        TRP 703  -3.319  12.666  -5.002
  209    HA   TRP 703           HA       TRP 703  -1.999  10.633  -6.484
  210    HB2  TRP 703           HB2      TRP 703  -4.390  10.639  -4.576
  211    HB3  TRP 703           HB3      TRP 703  -3.543   9.188  -5.060
  212    HD1  TRP 703           HD1      TRP 703  -0.832  11.446  -4.711
  213    HE1  TRP 703           HE1      TRP 703   0.090  11.706  -2.353
  214    HE3  TRP 703           HE3      TRP 703  -4.691   9.319  -2.243
  215    HZ2  TRP 703           HZ2      TRP 703  -0.693  10.819   0.315
  216    HZ3  TRP 703           HZ3      TRP 703  -4.713   9.267   0.222
  217    HH2  TRP 703           HH2      TRP 703  -2.725  10.026   1.496
  218    H    LYS 704           H        LYS 704  -4.830  12.396  -7.368
  219    HA   LYS 704           HA       LYS 704  -5.223  10.390  -9.542
  220    HB2  LYS 704           HB2      LYS 704  -7.156  11.039  -7.950
  221    HB3  LYS 704           HB3      LYS 704  -7.169  12.587  -8.791
  222    HG2  LYS 704           HG2      LYS 704  -8.856  10.921  -9.591
  223    HG3  LYS 704           HG3      LYS 704  -7.809  11.533 -10.864
  224    HD2  LYS 704           HD2      LYS 704  -8.311   9.121 -11.046
  225    HD3  LYS 704           HD3      LYS 704  -6.604   9.462 -11.012
  226    HE2  LYS 704           HE2      LYS 704  -7.792   8.884  -8.323
  227    HE3  LYS 704           HE3      LYS 704  -7.966   7.571  -9.494
  228    HZ1  LYS 704           HZ1      LYS 704  -5.480   7.812  -9.862
  229    HZ2  LYS 704           HZ2      LYS 704  -5.412   8.720  -8.541
  230    HZ3  LYS 704           HZ3      LYS 704  -5.934   7.173  -8.432
  231    H    ARG 705           H        ARG 705  -3.565  13.221  -9.025
  232    HA   ARG 705           HA       ARG 705  -3.668  13.966 -11.908
  233    HB2  ARG 705           HB2      ARG 705  -2.052  15.004  -9.543
  234    HB3  ARG 705           HB3      ARG 705  -1.868  15.615 -11.178
  235    HG2  ARG 705           HG2      ARG 705  -4.003  16.646 -11.207
  236    HG3  ARG 705           HG3      ARG 705  -4.565  15.746  -9.807
  237    HD2  ARG 705           HD2      ARG 705  -2.525  16.893  -8.580
  238    HD3  ARG 705           HD3      ARG 705  -2.598  18.046  -9.911
  239    HE   ARG 705           HE       ARG 705  -5.202  17.825  -8.911
  240   HH11  ARG 705          HH12      ARG 705  -2.029  18.625  -7.455
  241   HH12  ARG 705          HH11      ARG 705  -2.777  19.403  -6.084
  242   HH21  ARG 705          HH21      ARG 705  -6.061  19.302  -7.205
  243   HH22  ARG 705          HH22      ARG 705  -4.982  19.735  -5.921
  244    H    THR 706           H        THR 706  -2.104  11.662  -9.886
  245    HA   THR 706           HA       THR 706   0.230  11.470 -11.718
  246    HB   THR 706           HB       THR 706   1.409  10.737  -9.608
  247    HG1  THR 706           HG1      THR 706  -0.124  11.806  -7.799
  248   HG21  THR 706          HG21      THR 706   1.497  13.108 -10.448
  249   HG22  THR 706          HG22      THR 706   0.179  13.506  -9.332
  250   HG23  THR 706          HG23      THR 706   1.738  12.937  -8.705
  251    H    GLY 707           H        GLY 707  -2.553   9.720 -11.198
  252    HA2  GLY 707           HA2      GLY 707  -2.085   7.413 -12.382
  253    HA3  GLY 707           HA3      GLY 707  -1.343   7.088 -10.795
  Start of MODEL    5
    1    H1   GLY  -3           H1       GLY  -3   1.763   2.369   5.047
    2    H2   GLY  -3           H2       GLY  -3   3.349   2.614   4.607
    3    H3   GLY  -3           H3       GLY  -3   2.276   3.864   4.610
    4    HA2  GLY  -3           HA2      GLY  -3   1.093   3.076   2.807
    5    HA3  GLY  -3           HA3      GLY  -3   2.803   3.027   2.396
    6    H    HIS  -2           H        HIS  -2   0.027   1.077   3.463
    7    HA   HIS  -2           HA       HIS  -2   1.140  -1.231   1.928
    8    HB2  HIS  -2           HB2      HIS  -2  -0.764  -1.299   4.299
    9    HB3  HIS  -2           HB3      HIS  -2  -0.120  -2.683   3.424
   10    HD1  HIS  -2           HD1      HIS  -2   0.982   0.013   5.939
   11    HD2  HIS  -2           HD2      HIS  -2   2.365  -3.502   4.080
   12    HE1  HIS  -2           HE1      HIS  -2   3.067  -0.734   7.229
   13    H    MET  -1           H        MET  -1  -1.543   0.960   2.594
   14    HA   MET  -1           HA       MET  -1  -2.909  -0.005   0.126
   15    HB2  MET  -1           HB2      MET  -1  -3.995  -0.849   2.167
   16    HB3  MET  -1           HB3      MET  -1  -4.144   0.792   2.784
   17    HG2  MET  -1           HG2      MET  -1  -5.708   1.354   0.979
   18    HG3  MET  -1           HG3      MET  -1  -5.469  -0.235   0.242
   19    HE1  MET  -1           HE1      MET  -1  -8.137  -0.331   0.123
   20    HE2  MET  -1           HE2      MET  -1  -9.196  -0.158   1.545
   21    HE3  MET  -1           HE3      MET  -1  -8.245   1.233   0.964
   22    H    PHE 679           H        PHE 679  -1.112   2.443   1.293
   23    HA   PHE 679           HA       PHE 679  -2.268   4.480  -0.460
   24    HB2  PHE 679           HB2      PHE 679  -2.013   4.711   2.540
   25    HB3  PHE 679           HB3      PHE 679  -1.515   6.074   1.604
   26    HD1  PHE 679           HD1      PHE 679  -4.448   4.069   2.606
   27    HD2  PHE 679           HD2      PHE 679  -3.061   7.516   0.432
   28    HE1  PHE 679           HE1      PHE 679  -6.784   5.010   2.564
   29    HE2  PHE 679           HE2      PHE 679  -5.379   8.332   0.245
   30    HZ   PHE 679           HZ       PHE 679  -7.239   7.069   1.287
   31    HA   PRO 680           HA       PRO 680   2.113   5.337  -1.378
   32    HB2  PRO 680           HB2      PRO 680   1.842   7.839   0.313
   33    HB3  PRO 680           HB3      PRO 680   2.762   7.614  -1.211
   34    HG2  PRO 680           HG2      PRO 680   0.279   8.701  -1.222
   35    HG3  PRO 680           HG3      PRO 680   0.779   7.558  -2.509
   36    HD2  PRO 680           HD2      PRO 680  -1.086   7.132  -0.243
   37    HD3  PRO 680           HD3      PRO 680  -1.037   6.343  -1.832
   38    H    SER 681           H        SER 681   4.230   5.304  -0.466
   39    HA   SER 681           HA       SER 681   4.670   3.405   1.263
   40    HB2  SER 681           HB2      SER 681   6.538   5.780   1.088
   41    HB3  SER 681           HB3      SER 681   6.955   4.067   1.283
   42    HG   SER 681           HG       SER 681   7.221   4.763  -0.876
   43    H    ASP 682           H        ASP 682   4.256   6.775   2.479
   44    HA   ASP 682           HA       ASP 682   5.036   6.006   5.195
   45    HB2  ASP 682           HB2      ASP 682   4.671   8.369   5.686
   46    HB3  ASP 682           HB3      ASP 682   5.786   8.148   4.340
   47    H    ILE 683           H        ILE 683   2.156   7.616   3.798
   48    HA   ILE 683           HA       ILE 683   0.548   7.214   6.074
   49    HB   ILE 683           HB       ILE 683  -1.348   7.678   4.276
   50   HG12  ILE 683          HG12      ILE 683   1.068   8.711   2.737
   51   HG13  ILE 683          HG13      ILE 683   0.207   7.229   2.327
   52   HG21  ILE 683          HG21      ILE 683  -0.584   9.263   6.022
   53   HG22  ILE 683          HG22      ILE 683   0.689   9.823   4.903
   54   HG23  ILE 683          HG23      ILE 683  -1.022  10.045   4.493
   55   HD11  ILE 683          HD11      ILE 683  -0.880  10.084   2.276
   56   HD12  ILE 683          HD12      ILE 683  -0.637   8.969   0.936
   57   HD13  ILE 683          HD13      ILE 683  -1.902   8.635   2.134
   58    H    ASP 684           H        ASP 684  -1.571   6.107   6.194
   59    HA   ASP 684           HA       ASP 684  -2.059   3.855   4.472
   60    HB2  ASP 684           HB2      ASP 684  -0.929   3.375   7.162
   61    HB3  ASP 684           HB3      ASP 684  -2.433   2.519   6.854
   62    HA   PRO 685           HA       PRO 685  -5.960   5.184   4.600
   63    HB2  PRO 685           HB2      PRO 685  -7.329   2.883   5.955
   64    HB3  PRO 685           HB3      PRO 685  -7.593   3.527   4.307
   65    HG2  PRO 685           HG2      PRO 685  -6.274   1.176   4.729
   66    HG3  PRO 685           HG3      PRO 685  -5.759   2.322   3.448
   67    HD2  PRO 685           HD2      PRO 685  -4.694   2.064   6.286
   68    HD3  PRO 685           HD3      PRO 685  -3.752   2.072   4.739
   69    H    GLN 686           H        GLN 686  -5.279   3.761   7.770
   70    HA   GLN 686           HA       GLN 686  -7.435   5.104   9.033
   71    HB2  GLN 686           HB2      GLN 686  -5.990   3.180   9.997
   72    HB3  GLN 686           HB3      GLN 686  -4.816   4.435  10.434
   73    HG2  GLN 686           HG2      GLN 686  -6.941   5.613  11.522
   74    HG3  GLN 686           HG3      GLN 686  -7.641   3.998  11.430
   75   HE21  GLN 686          HE22      GLN 686  -5.215   6.052  12.960
   76   HE22  GLN 686          HE21      GLN 686  -4.776   4.910  14.218
   77    H    VAL 687           H        VAL 687  -3.972   5.842   8.698
   78    HA   VAL 687           HA       VAL 687  -4.017   8.326  10.078
   79    HB   VAL 687           HB       VAL 687  -1.955   7.369   8.047
   80   HG11  VAL 687          HG11      VAL 687  -1.630   9.692   8.828
   81   HG12  VAL 687          HG12      VAL 687  -1.707   9.140  10.514
   82   HG13  VAL 687          HG13      VAL 687  -0.366   8.630   9.460
   83   HG21  VAL 687          HG21      VAL 687  -0.763   6.360  10.032
   84   HG22  VAL 687          HG22      VAL 687  -2.236   6.623  10.994
   85   HG23  VAL 687          HG23      VAL 687  -2.251   5.515   9.604
   86    H    PHE 688           H        PHE 688  -4.481   7.431   6.668
   87    HA   PHE 688           HA       PHE 688  -4.290  10.115   5.679
   88    HB2  PHE 688           HB2      PHE 688  -3.934   8.084   4.277
   89    HB3  PHE 688           HB3      PHE 688  -5.654   7.706   4.420
   90    HD1  PHE 688           HD1      PHE 688  -3.248  10.366   3.372
   91    HD2  PHE 688           HD2      PHE 688  -7.276   8.878   3.034
   92    HE1  PHE 688           HE1      PHE 688  -3.737  12.071   1.651
   93    HE2  PHE 688           HE2      PHE 688  -7.737  10.546   1.237
   94    HZ   PHE 688           HZ       PHE 688  -5.946  12.135   0.547
   95    H    TYR 689           H        TYR 689  -7.029   8.057   6.830
   96    HA   TYR 689           HA       TYR 689  -8.939  10.135   6.039
   97    HB2  TYR 689           HB2      TYR 689  -9.200   7.498   7.478
   98    HB3  TYR 689           HB3      TYR 689 -10.564   8.573   7.120
   99    HD1  TYR 689           HD1      TYR 689 -10.117   9.391   4.337
  100    HD2  TYR 689           HD2      TYR 689  -9.562   5.561   6.215
  101    HE1  TYR 689           HE1      TYR 689 -10.361   8.299   2.147
  102    HE2  TYR 689           HE2      TYR 689  -9.804   4.441   4.006
  103    HH   TYR 689           HH       TYR 689 -10.338   6.290   0.987
  104    H    GLU 690           H        GLU 690  -7.011   9.409   8.868
  105    HA   GLU 690           HA       GLU 690  -8.494  11.075  10.711
  106    HB2  GLU 690           HB2      GLU 690  -5.629  10.047  10.556
  107    HB3  GLU 690           HB3      GLU 690  -6.172  11.091  11.867
  108    HG2  GLU 690           HG2      GLU 690  -7.765   9.493  12.650
  109    HG3  GLU 690           HG3      GLU 690  -7.607   8.479  11.233
  110    H    LEU 691           H        LEU 691  -6.768  11.845   7.870
  111    HA   LEU 691           HA       LEU 691  -5.796  14.461   8.678
  112    HB2  LEU 691           HB2      LEU 691  -6.398  13.345   5.914
  113    HB3  LEU 691           HB3      LEU 691  -5.482  14.808   6.253
  114    HG   LEU 691           HG       LEU 691  -4.646  11.977   6.831
  115   HD11  LEU 691          HD11      LEU 691  -2.944  12.265   5.204
  116   HD12  LEU 691          HD12      LEU 691  -4.475  12.792   4.473
  117   HD13  LEU 691          HD13      LEU 691  -3.294  13.993   5.041
  118   HD21  LEU 691          HD21      LEU 691  -3.160  14.521   7.558
  119   HD22  LEU 691          HD22      LEU 691  -3.777  13.268   8.672
  120   HD23  LEU 691          HD23      LEU 691  -2.460  12.882   7.576
  121    HA   PRO 692           HA       PRO 692  -9.671  16.715   8.151
  122    HB2  PRO 692           HB2      PRO 692  -8.128  18.733   6.535
  123    HB3  PRO 692           HB3      PRO 692  -9.161  18.996   7.974
  124    HG2  PRO 692           HG2      PRO 692  -6.442  19.088   8.146
  125    HG3  PRO 692           HG3      PRO 692  -7.416  18.316   9.443
  126    HD2  PRO 692           HD2      PRO 692  -5.966  16.972   7.138
  127    HD3  PRO 692           HD3      PRO 692  -5.986  16.526   8.884
  128    H    GLU 693           H        GLU 693 -11.256  17.239   6.448
  129    HA   GLU 693           HA       GLU 693 -11.207  15.650   4.145
  130    HB2  GLU 693           HB2      GLU 693 -13.331  16.248   4.352
  131    HB3  GLU 693           HB3      GLU 693 -12.970  17.650   5.320
  132    HG2  GLU 693           HG2      GLU 693 -12.942  17.575   2.256
  133    HG3  GLU 693           HG3      GLU 693 -14.284  18.131   3.252
  134    H    ALA 694           H        ALA 694 -10.295  19.089   4.411
  135    HA   ALA 694           HA       ALA 694  -9.717  19.377   1.780
  136    HB1  ALA 694           HB1      ALA 694  -8.236  21.283   2.456
  137    HB2  ALA 694           HB2      ALA 694  -9.735  21.257   3.407
  138    HB3  ALA 694           HB3      ALA 694  -8.211  20.663   4.121
  139    H    VAL 695           H        VAL 695  -7.370  18.293   4.253
  140    HA   VAL 695           HA       VAL 695  -5.314  18.032   2.342
  141    HB   VAL 695           HB       VAL 695  -5.628  16.545   4.962
  142   HG11  VAL 695          HG11      VAL 695  -3.151  17.101   3.261
  143   HG12  VAL 695          HG12      VAL 695  -3.141  16.338   4.869
  144   HG13  VAL 695          HG13      VAL 695  -3.907  15.521   3.492
  145   HG21  VAL 695          HG21      VAL 695  -4.244  19.192   4.343
  146   HG22  VAL 695          HG22      VAL 695  -5.674  18.960   5.374
  147   HG23  VAL 695          HG23      VAL 695  -4.114  18.314   5.879
  148    H    GLN 696           H        GLN 696  -8.105  15.913   3.058
  149    HA   GLN 696           HA       GLN 696  -6.805  13.548   1.956
  150    HB2  GLN 696           HB2      GLN 696  -9.728  14.239   2.494
  151    HB3  GLN 696           HB3      GLN 696  -9.190  12.715   1.783
  152    HG2  GLN 696           HG2      GLN 696  -7.874  12.201   3.774
  153    HG3  GLN 696           HG3      GLN 696  -8.305  13.753   4.496
  154   HE21  GLN 696          HE22      GLN 696  -9.549  13.067   6.250
  155   HE22  GLN 696          HE21      GLN 696 -10.939  12.028   6.119
  156    H    LYS 697           H        LYS 697  -9.284  15.882   0.911
  157    HA   LYS 697           HA       LYS 697  -9.461  14.695  -1.715
  158    HB2  LYS 697           HB2      LYS 697 -11.445  15.191  -0.997
  159    HB3  LYS 697           HB3      LYS 697 -10.934  16.516  -0.003
  160    HG2  LYS 697           HG2      LYS 697 -11.190  16.729  -3.034
  161    HG3  LYS 697           HG3      LYS 697 -12.525  17.063  -1.901
  162    HD2  LYS 697           HD2      LYS 697  -9.843  18.398  -1.666
  163    HD3  LYS 697           HD3      LYS 697 -11.157  19.102  -2.634
  164    HE2  LYS 697           HE2      LYS 697 -12.585  19.098  -0.562
  165    HE3  LYS 697           HE3      LYS 697 -11.237  18.393   0.338
  166    HZ1  LYS 697           HZ1      LYS 697  -9.951  20.385  -0.138
  167    HZ2  LYS 697           HZ2      LYS 697 -11.220  21.072  -0.867
  168    HZ3  LYS 697           HZ3      LYS 697 -11.334  20.639   0.752
  169    H    GLU 698           H        GLU 698  -7.650  17.527  -0.525
  170    HA   GLU 698           HA       GLU 698  -6.882  18.296  -3.201
  171    HB2  GLU 698           HB2      GLU 698  -5.836  18.893  -0.424
  172    HB3  GLU 698           HB3      GLU 698  -4.805  19.172  -1.811
  173    HG2  GLU 698           HG2      GLU 698  -5.924  21.219  -1.284
  174    HG3  GLU 698           HG3      GLU 698  -6.428  20.642  -2.863
  175    H    LEU 699           H        LEU 699  -5.525  15.957  -0.763
  176    HA   LEU 699           HA       LEU 699  -3.296  15.181  -2.418
  177    HB2  LEU 699           HB2      LEU 699  -4.788  13.805  -0.192
  178    HB3  LEU 699           HB3      LEU 699  -3.529  12.993  -1.061
  179    HG   LEU 699           HG       LEU 699  -3.202  14.355   1.276
  180   HD11  LEU 699          HD11      LEU 699  -1.704  12.742   0.542
  181   HD12  LEU 699          HD12      LEU 699  -1.144  13.735  -0.826
  182   HD13  LEU 699          HD13      LEU 699  -0.767  14.203   0.854
  183   HD21  LEU 699          HD21      LEU 699  -2.072  16.262  -0.823
  184   HD22  LEU 699          HD22      LEU 699  -3.438  16.617   0.257
  185   HD23  LEU 699          HD23      LEU 699  -1.836  16.346   0.934
  186    H    LEU 700           H        LEU 700  -6.707  14.042  -2.277
  187    HA   LEU 700           HA       LEU 700  -6.329  11.941  -4.169
  188    HB2  LEU 700           HB2      LEU 700  -8.852  13.621  -3.882
  189    HB3  LEU 700           HB3      LEU 700  -8.692  12.093  -4.717
  190    HG   LEU 700           HG       LEU 700  -8.758  12.616  -1.752
  191   HD11  LEU 700          HD11      LEU 700 -10.266  10.681  -3.519
  192   HD12  LEU 700          HD12      LEU 700 -10.531  10.977  -1.784
  193   HD13  LEU 700          HD13      LEU 700 -10.854  12.263  -2.955
  194   HD21  LEU 700          HD21      LEU 700  -8.240  10.213  -1.354
  195   HD22  LEU 700          HD22      LEU 700  -7.792  10.038  -3.064
  196   HD23  LEU 700          HD23      LEU 700  -6.851  11.100  -1.982
  197    H    ALA 701           H        ALA 701  -7.018  15.445  -4.657
  198    HA   ALA 701           HA       ALA 701  -7.227  15.218  -7.520
  199    HB1  ALA 701           HB1      ALA 701  -7.026  17.669  -7.488
  200    HB2  ALA 701           HB2      ALA 701  -8.157  17.122  -6.235
  201    HB3  ALA 701           HB3      ALA 701  -6.511  17.631  -5.789
  202    H    GLU 702           H        GLU 702  -4.548  16.013  -5.291
  203    HA   GLU 702           HA       GLU 702  -2.571  16.654  -7.155
  204    HB2  GLU 702           HB2      GLU 702  -2.369  17.126  -4.777
  205    HB3  GLU 702           HB3      GLU 702  -2.472  15.417  -4.382
  206    HG2  GLU 702           HG2      GLU 702  -0.212  16.227  -4.104
  207    HG3  GLU 702           HG3      GLU 702  -0.295  14.963  -5.321
  208    H    TRP 703           H        TRP 703  -3.209  13.440  -5.590
  209    HA   TRP 703           HA       TRP 703  -1.334  12.061  -7.279
  210    HB2  TRP 703           HB2      TRP 703  -3.731  11.011  -5.712
  211    HB3  TRP 703           HB3      TRP 703  -2.419  10.019  -6.348
  212    HD1  TRP 703           HD1      TRP 703  -0.046  12.045  -5.282
  213    HE1  TRP 703           HE1      TRP 703   0.517  11.929  -2.788
  214    HE3  TRP 703           HE3      TRP 703  -4.466  10.191  -3.575
  215    HZ2  TRP 703           HZ2      TRP 703  -0.720  10.857  -0.370
  216    HZ3  TRP 703           HZ3      TRP 703  -4.790   9.711  -1.185
  217    HH2  TRP 703           HH2      TRP 703  -2.914   9.969   0.419
  218    H    LYS 704           H        LYS 704  -4.819  12.858  -7.706
  219    HA   LYS 704           HA       LYS 704  -5.178  11.232  -9.974
  220    HB2  LYS 704           HB2      LYS 704  -7.053  12.274  -8.767
  221    HB3  LYS 704           HB3      LYS 704  -6.515  13.864  -9.285
  222    HG2  LYS 704           HG2      LYS 704  -8.314  13.482 -10.622
  223    HG3  LYS 704           HG3      LYS 704  -7.005  13.089 -11.700
  224    HD2  LYS 704           HD2      LYS 704  -8.831  11.188 -10.182
  225    HD3  LYS 704           HD3      LYS 704  -8.857  11.500 -11.915
  226    HE2  LYS 704           HE2      LYS 704  -6.669  10.057 -10.360
  227    HE3  LYS 704           HE3      LYS 704  -7.870   9.301 -11.391
  228    HZ1  LYS 704           HZ1      LYS 704  -5.724  11.120 -12.307
  229    HZ2  LYS 704           HZ2      LYS 704  -5.755   9.518 -12.404
  230    HZ3  LYS 704           HZ3      LYS 704  -6.838  10.357 -13.301
  231    H    ARG 705           H        ARG 705  -3.443  14.312  -9.695
  232    HA   ARG 705           HA       ARG 705  -3.252  14.785 -12.532
  233    HB2  ARG 705           HB2      ARG 705  -1.046  15.317 -10.515
  234    HB3  ARG 705           HB3      ARG 705  -1.285  16.087 -12.077
  235    HG2  ARG 705           HG2      ARG 705  -3.426  17.093 -11.165
  236    HG3  ARG 705           HG3      ARG 705  -2.934  16.498  -9.573
  237    HD2  ARG 705           HD2      ARG 705  -1.375  18.455 -11.311
  238    HD3  ARG 705           HD3      ARG 705  -2.287  18.831  -9.852
  239    HE   ARG 705           HE       ARG 705  -0.680  17.840  -8.480
  240   HH11  ARG 705          HH11      ARG 705   0.321  17.437 -11.837
  241   HH12  ARG 705          HH12      ARG 705   2.000  17.189 -11.458
  242   HH21  ARG 705          HH21      ARG 705   1.380  17.264  -7.934
  243   HH22  ARG 705          HH22      ARG 705   2.593  16.973  -9.116
  244    H    THR 706           H        THR 706  -1.959  12.150 -10.718
  245    HA   THR 706           HA       THR 706   0.110  11.631 -12.798
  246    HB   THR 706           HB       THR 706   1.294  10.573 -10.700
  247    HG1  THR 706           HG1      THR 706  -0.704  11.225  -9.389
  248   HG21  THR 706          HG21      THR 706   1.081  13.604 -10.985
  249   HG22  THR 706          HG22      THR 706   2.405  12.704 -10.218
  250   HG23  THR 706          HG23      THR 706   2.136  12.550 -11.963
  251    H    GLY 707           H        GLY 707  -2.603  10.214 -11.068
  252    HA2  GLY 707           HA2      GLY 707  -2.399   7.851 -12.750
  253    HA3  GLY 707           HA3      GLY 707  -2.261   7.567 -10.991
  Start of MODEL    6
    1    H1   GLY  -3           H1       GLY  -3   1.325   3.282   4.786
    2    H2   GLY  -3           H2       GLY  -3   0.661   1.934   5.481
    3    H3   GLY  -3           H3       GLY  -3   1.878   1.806   4.361
    4    HA2  GLY  -3           HA2      GLY  -3  -0.763   2.936   3.795
    5    HA3  GLY  -3           HA3      GLY  -3   0.514   2.608   2.632
    6    H    HIS  -2           H        HIS  -2  -1.585   0.881   5.047
    7    HA   HIS  -2           HA       HIS  -2  -1.623  -1.612   3.815
    8    HB2  HIS  -2           HB2      HIS  -2  -2.594  -1.136   5.983
    9    HB3  HIS  -2           HB3      HIS  -2  -3.771  -0.041   5.276
   10    HD1  HIS  -2           HD1      HIS  -2  -4.022  -2.933   3.091
   11    HD2  HIS  -2           HD2      HIS  -2  -5.262  -1.857   6.963
   12    HE1  HIS  -2           HE1      HIS  -2  -6.003  -4.437   3.671
   13    H    MET  -1           H        MET  -1  -3.412   1.317   2.799
   14    HA   MET  -1           HA       MET  -1  -3.915   0.099   0.194
   15    HB2  MET  -1           HB2      MET  -1  -6.304   0.580   0.154
   16    HB3  MET  -1           HB3      MET  -1  -5.930  -0.621   1.381
   17    HG2  MET  -1           HG2      MET  -1  -6.407   0.774   3.144
   18    HG3  MET  -1           HG3      MET  -1  -6.058   2.249   2.245
   19    HE1  MET  -1           HE1      MET  -1  -7.742   2.366  -0.281
   20    HE2  MET  -1           HE2      MET  -1  -9.219   3.143   0.333
   21    HE3  MET  -1           HE3      MET  -1  -7.622   3.669   0.917
   22    H    PHE 679           H        PHE 679  -2.104   2.071   0.931
   23    HA   PHE 679           HA       PHE 679  -2.945   4.503  -0.432
   24    HB2  PHE 679           HB2      PHE 679  -2.583   4.283   2.570
   25    HB3  PHE 679           HB3      PHE 679  -1.839   5.646   1.781
   26    HD1  PHE 679           HD2      PHE 679  -3.104   7.470   0.808
   27    HD2  PHE 679           HD1      PHE 679  -5.054   4.138   2.710
   28    HE1  PHE 679           HE2      PHE 679  -5.279   8.602   0.590
   29    HE2  PHE 679           HE1      PHE 679  -7.204   5.422   2.734
   30    HZ   PHE 679           HZ       PHE 679  -7.343   7.577   1.516
   31    HA   PRO 680           HA       PRO 680   1.509   4.585  -1.376
   32    HB2  PRO 680           HB2      PRO 680   1.599   7.060   0.378
   33    HB3  PRO 680           HB3      PRO 680   2.521   6.734  -1.127
   34    HG2  PRO 680           HG2      PRO 680   0.251   8.187  -1.250
   35    HG3  PRO 680           HG3      PRO 680   0.542   6.908  -2.467
   36    HD2  PRO 680           HD2      PRO 680  -1.287   6.856  -0.090
   37    HD3  PRO 680           HD3      PRO 680  -1.503   6.134  -1.704
   38    H    SER 681           H        SER 681   3.420   3.820  -0.461
   39    HA   SER 681           HA       SER 681   3.131   2.013   1.459
   40    HB2  SER 681           HB2      SER 681   5.794   3.389   0.967
   41    HB3  SER 681           HB3      SER 681   5.496   1.669   1.285
   42    HG   SER 681           HG       SER 681   5.880   2.132  -0.950
   43    H    ASP 682           H        ASP 682   4.137   5.311   2.116
   44    HA   ASP 682           HA       ASP 682   4.808   4.970   4.899
   45    HB2  ASP 682           HB2      ASP 682   4.836   7.441   4.835
   46    HB3  ASP 682           HB3      ASP 682   5.848   6.702   3.596
   47    H    ILE 683           H        ILE 683   2.232   7.112   3.644
   48    HA   ILE 683           HA       ILE 683   0.896   7.219   6.076
   49    HB   ILE 683           HB       ILE 683  -1.119   7.943   4.591
   50   HG12  ILE 683          HG12      ILE 683   1.060   8.161   2.487
   51   HG13  ILE 683          HG13      ILE 683  -0.192   6.928   2.491
   52   HG21  ILE 683          HG21      ILE 683  -0.295  10.167   4.404
   53   HG22  ILE 683          HG22      ILE 683   0.384   9.470   5.881
   54   HG23  ILE 683          HG23      ILE 683   1.399   9.611   4.422
   55   HD11  ILE 683          HD11      ILE 683  -0.822   8.710   0.989
   56   HD12  ILE 683          HD12      ILE 683  -1.929   8.720   2.381
   57   HD13  ILE 683          HD13      ILE 683  -0.644   9.941   2.236
   58    H    ASP 684           H        ASP 684  -0.271   5.799   7.185
   59    HA   ASP 684           HA       ASP 684  -1.482   3.545   5.725
   60    HB2  ASP 684           HB2      ASP 684  -0.277   3.601   8.206
   61    HB3  ASP 684           HB3      ASP 684  -1.992   3.718   8.631
   62    HA   PRO 685           HA       PRO 685  -5.180   5.399   4.930
   63    HB2  PRO 685           HB2      PRO 685  -6.891   3.297   6.204
   64    HB3  PRO 685           HB3      PRO 685  -6.811   3.771   4.490
   65    HG2  PRO 685           HG2      PRO 685  -5.729   1.420   5.402
   66    HG3  PRO 685           HG3      PRO 685  -4.931   2.372   4.111
   67    HD2  PRO 685           HD2      PRO 685  -4.276   2.339   7.034
   68    HD3  PRO 685           HD3      PRO 685  -3.180   2.246   5.606
   69    H    GLN 686           H        GLN 686  -5.192   4.077   8.221
   70    HA   GLN 686           HA       GLN 686  -7.192   5.663   9.318
   71    HB2  GLN 686           HB2      GLN 686  -4.625   4.809  10.738
   72    HB3  GLN 686           HB3      GLN 686  -6.124   5.334  11.495
   73    HG2  GLN 686           HG2      GLN 686  -6.075   2.964  11.672
   74    HG3  GLN 686           HG3      GLN 686  -7.300   3.350  10.462
   75   HE21  GLN 686          HE22      GLN 686  -3.792   2.478  10.761
   76   HE22  GLN 686          HE21      GLN 686  -3.673   1.653   9.222
   77    H    VAL 687           H        VAL 687  -3.679   6.310   9.141
   78    HA   VAL 687           HA       VAL 687  -3.717   8.850  10.366
   79    HB   VAL 687           HB       VAL 687  -1.684   7.919   8.262
   80   HG11  VAL 687          HG11      VAL 687  -1.398  10.218   9.125
   81   HG12  VAL 687          HG12      VAL 687  -1.403   9.609  10.789
   82   HG13  VAL 687          HG13      VAL 687  -0.081   9.168   9.679
   83   HG21  VAL 687          HG21      VAL 687  -1.904   6.009   9.769
   84   HG22  VAL 687          HG22      VAL 687  -0.411   6.863  10.159
   85   HG23  VAL 687          HG23      VAL 687  -1.845   7.069  11.194
   86    H    PHE 688           H        PHE 688  -4.135   7.806   6.977
   87    HA   PHE 688           HA       PHE 688  -4.008  10.461   5.893
   88    HB2  PHE 688           HB2      PHE 688  -3.630   8.397   4.553
   89    HB3  PHE 688           HB3      PHE 688  -5.341   7.979   4.740
   90    HD1  PHE 688           HD1      PHE 688  -2.997  10.577   3.441
   91    HD2  PHE 688           HD2      PHE 688  -7.054   9.129   3.454
   92    HE1  PHE 688           HE1      PHE 688  -3.532  12.061   1.553
   93    HE2  PHE 688           HE2      PHE 688  -7.568  10.571   1.481
   94    HZ   PHE 688           HZ       PHE 688  -5.791  12.031   0.530
   95    H    TYR 689           H        TYR 689  -6.768   8.408   7.048
   96    HA   TYR 689           HA       TYR 689  -8.685  10.447   6.190
   97    HB2  TYR 689           HB2      TYR 689  -8.947   7.985   7.924
   98    HB3  TYR 689           HB3      TYR 689 -10.294   9.018   7.420
   99    HD1  TYR 689           HD1      TYR 689 -10.051   9.476   4.610
  100    HD2  TYR 689           HD2      TYR 689  -9.056   5.931   6.854
  101    HE1  TYR 689           HE1      TYR 689 -10.321   8.100   2.564
  102    HE2  TYR 689           HE2      TYR 689  -9.360   4.549   4.830
  103    HH   TYR 689           HH       TYR 689  -9.809   4.554   2.554
  104    H    GLU 690           H        GLU 690  -6.764   9.857   9.102
  105    HA   GLU 690           HA       GLU 690  -8.182  11.726  10.775
  106    HB2  GLU 690           HB2      GLU 690  -5.346  10.611  10.763
  107    HB3  GLU 690           HB3      GLU 690  -5.918  11.731  11.998
  108    HG2  GLU 690           HG2      GLU 690  -7.574  10.199  12.795
  109    HG3  GLU 690           HG3      GLU 690  -7.354   9.103  11.446
  110    H    LEU 691           H        LEU 691  -6.394  12.255   7.916
  111    HA   LEU 691           HA       LEU 691  -5.498  14.945   8.546
  112    HB2  LEU 691           HB2      LEU 691  -6.132  13.667   5.858
  113    HB3  LEU 691           HB3      LEU 691  -5.303  15.194   6.075
  114    HG   LEU 691           HG       LEU 691  -4.226  12.476   6.894
  115   HD11  LEU 691          HD11      LEU 691  -4.223  12.969   4.465
  116   HD12  LEU 691          HD12      LEU 691  -3.197  14.393   4.778
  117   HD13  LEU 691          HD13      LEU 691  -2.606  12.762   5.154
  118   HD21  LEU 691          HD21      LEU 691  -3.425  14.104   8.514
  119   HD22  LEU 691          HD22      LEU 691  -2.116  13.680   7.424
  120   HD23  LEU 691          HD23      LEU 691  -2.965  15.232   7.214
  121    HA   PRO 692           HA       PRO 692  -9.382  17.069   8.223
  122    HB2  PRO 692           HB2      PRO 692  -8.150  18.988   6.258
  123    HB3  PRO 692           HB3      PRO 692  -8.992  19.338   7.790
  124    HG2  PRO 692           HG2      PRO 692  -6.276  19.514   7.599
  125    HG3  PRO 692           HG3      PRO 692  -7.058  18.857   9.078
  126    HD2  PRO 692           HD2      PRO 692  -5.838  17.331   6.765
  127    HD3  PRO 692           HD3      PRO 692  -5.658  17.043   8.534
  128    H    GLU 693           H        GLU 693 -11.153  17.031   6.868
  129    HA   GLU 693           HA       GLU 693 -11.501  15.357   4.820
  130    HB2  GLU 693           HB2      GLU 693 -13.319  16.570   5.942
  131    HB3  GLU 693           HB3      GLU 693 -12.767  18.103   5.282
  132    HG2  GLU 693           HG2      GLU 693 -14.762  17.389   4.119
  133    HG3  GLU 693           HG3      GLU 693 -13.399  17.409   3.000
  134    H    ALA 694           H        ALA 694 -10.849  18.829   4.209
  135    HA   ALA 694           HA       ALA 694 -10.704  18.367   1.427
  136    HB1  ALA 694           HB1      ALA 694  -9.637  20.686   3.128
  137    HB2  ALA 694           HB2      ALA 694  -9.885  20.744   1.360
  138    HB3  ALA 694           HB3      ALA 694 -11.283  20.568   2.439
  139    H    VAL 695           H        VAL 695  -8.202  17.927   3.811
  140    HA   VAL 695           HA       VAL 695  -6.045  18.316   1.922
  141    HB   VAL 695           HB       VAL 695  -6.163  16.947   4.633
  142   HG11  VAL 695          HG11      VAL 695  -3.716  17.415   2.886
  143   HG12  VAL 695          HG12      VAL 695  -3.690  16.859   4.575
  144   HG13  VAL 695          HG13      VAL 695  -4.407  15.839   3.313
  145   HG21  VAL 695          HG21      VAL 695  -4.895  19.574   3.728
  146   HG22  VAL 695          HG22      VAL 695  -6.370  19.416   4.702
  147   HG23  VAL 695          HG23      VAL 695  -4.815  18.897   5.368
  148    H    GLN 696           H        GLN 696  -8.001  15.605   3.233
  149    HA   GLN 696           HA       GLN 696  -6.693  13.498   1.921
  150    HB2  GLN 696           HB2      GLN 696  -9.675  13.843   2.390
  151    HB3  GLN 696           HB3      GLN 696  -8.904  12.327   2.006
  152    HG2  GLN 696           HG2      GLN 696  -7.916  12.198   4.182
  153    HG3  GLN 696           HG3      GLN 696  -8.297  13.889   4.543
  154   HE21  GLN 696          HE22      GLN 696  -9.549  13.256   6.457
  155   HE22  GLN 696          HE21      GLN 696 -11.141  12.579   6.251
  156    H    LYS 697           H        LYS 697  -9.280  15.689   0.867
  157    HA   LYS 697           HA       LYS 697  -9.687  14.343  -1.656
  158    HB2  LYS 697           HB2      LYS 697 -10.716  16.910  -0.414
  159    HB3  LYS 697           HB3      LYS 697 -10.991  16.572  -2.119
  160    HG2  LYS 697           HG2      LYS 697 -12.925  15.820  -0.877
  161    HG3  LYS 697           HG3      LYS 697 -12.082  14.423  -1.567
  162    HD2  LYS 697           HD2      LYS 697 -11.031  14.132   0.773
  163    HD3  LYS 697           HD3      LYS 697 -12.207  15.358   1.307
  164    HE2  LYS 697           HE2      LYS 697 -13.997  13.901   0.581
  165    HE3  LYS 697           HE3      LYS 697 -12.821  12.678   0.012
  166    HZ1  LYS 697           HZ1      LYS 697 -13.644  12.114   2.219
  167    HZ2  LYS 697           HZ2      LYS 697 -12.092  12.618   2.482
  168    HZ3  LYS 697           HZ3      LYS 697 -13.362  13.593   2.766
  169    H    GLU 698           H        GLU 698  -7.816  17.325  -0.774
  170    HA   GLU 698           HA       GLU 698  -7.013  17.823  -3.463
  171    HB2  GLU 698           HB2      GLU 698  -6.172  18.723  -0.745
  172    HB3  GLU 698           HB3      GLU 698  -4.876  18.709  -1.928
  173    HG2  GLU 698           HG2      GLU 698  -7.544  20.100  -2.372
  174    HG3  GLU 698           HG3      GLU 698  -6.077  20.881  -1.785
  175    H    LEU 699           H        LEU 699  -5.543  15.714  -0.917
  176    HA   LEU 699           HA       LEU 699  -3.287  14.923  -2.491
  177    HB2  LEU 699           HB2      LEU 699  -4.817  13.847  -0.139
  178    HB3  LEU 699           HB3      LEU 699  -3.663  12.796  -0.920
  179    HG   LEU 699           HG       LEU 699  -3.038  14.242   1.172
  180   HD11  LEU 699          HD11      LEU 699  -1.515  12.721   0.152
  181   HD12  LEU 699          HD12      LEU 699  -1.203  13.823  -1.206
  182   HD13  LEU 699          HD13      LEU 699  -0.646  14.234   0.435
  183   HD21  LEU 699          HD21      LEU 699  -3.539  16.481   0.224
  184   HD22  LEU 699          HD22      LEU 699  -1.862  16.312   0.743
  185   HD23  LEU 699          HD23      LEU 699  -2.267  16.248  -0.982
  186    H    LEU 700           H        LEU 700  -6.617  13.593  -2.388
  187    HA   LEU 700           HA       LEU 700  -5.974  11.437  -4.205
  188    HB2  LEU 700           HB2      LEU 700  -8.554  12.803  -3.384
  189    HB3  LEU 700           HB3      LEU 700  -8.541  11.547  -4.617
  190    HG   LEU 700           HG       LEU 700  -7.352  11.073  -1.853
  191   HD11  LEU 700          HD11      LEU 700  -9.693  11.714  -1.549
  192   HD12  LEU 700          HD12      LEU 700 -10.210  10.525  -2.762
  193   HD13  LEU 700          HD13      LEU 700  -9.471   9.987  -1.232
  194   HD21  LEU 700          HD21      LEU 700  -8.438   9.136  -3.959
  195   HD22  LEU 700          HD22      LEU 700  -6.722   9.457  -3.663
  196   HD23  LEU 700          HD23      LEU 700  -7.699   8.705  -2.397
  197    H    ALA 701           H        ALA 701  -7.193  14.788  -4.690
  198    HA   ALA 701           HA       ALA 701  -7.395  14.615  -7.534
  199    HB1  ALA 701           HB1      ALA 701  -8.407  16.445  -6.169
  200    HB2  ALA 701           HB2      ALA 701  -6.780  17.050  -5.797
  201    HB3  ALA 701           HB3      ALA 701  -7.365  17.056  -7.471
  202    H    GLU 702           H        GLU 702  -4.676  15.413  -5.339
  203    HA   GLU 702           HA       GLU 702  -2.830  16.134  -7.301
  204    HB2  GLU 702           HB2      GLU 702  -2.608  16.447  -4.785
  205    HB3  GLU 702           HB3      GLU 702  -2.141  14.750  -4.679
  206    HG2  GLU 702           HG2      GLU 702  -0.146  16.098  -4.714
  207    HG3  GLU 702           HG3      GLU 702  -0.233  15.229  -6.249
  208    H    TRP 703           H        TRP 703  -3.285  12.963  -5.678
  209    HA   TRP 703           HA       TRP 703  -1.605  11.504  -7.470
  210    HB2  TRP 703           HB2      TRP 703  -3.899  10.637  -5.652
  211    HB3  TRP 703           HB3      TRP 703  -2.737   9.522  -6.371
  212    HD1  TRP 703           HD1      TRP 703  -0.102  11.329  -5.576
  213    HE1  TRP 703           HE1      TRP 703   0.652  11.244  -3.128
  214    HE3  TRP 703           HE3      TRP 703  -4.494   9.893  -3.484
  215    HZ2  TRP 703           HZ2      TRP 703  -0.548  10.597  -0.539
  216    HZ3  TRP 703           HZ3      TRP 703  -4.736   9.690  -1.050
  217    HH2  TRP 703           HH2      TRP 703  -2.760   9.971   0.439
  218    H    LYS 704           H        LYS 704  -4.682  12.879  -8.173
  219    HA   LYS 704           HA       LYS 704  -4.715  11.177 -10.611
  220    HB2  LYS 704           HB2      LYS 704  -6.872  11.705  -8.835
  221    HB3  LYS 704           HB3      LYS 704  -7.180  12.672 -10.268
  222    HG2  LYS 704           HG2      LYS 704  -8.200  10.584 -10.697
  223    HG3  LYS 704           HG3      LYS 704  -6.727  10.564 -11.659
  224    HD2  LYS 704           HD2      LYS 704  -6.153   9.441  -9.018
  225    HD3  LYS 704           HD3      LYS 704  -7.640   8.727  -9.629
  226    HE2  LYS 704           HE2      LYS 704  -5.951   7.273 -10.347
  227    HE3  LYS 704           HE3      LYS 704  -6.364   8.198 -11.800
  228    HZ1  LYS 704           HZ1      LYS 704  -4.367   9.511 -11.489
  229    HZ2  LYS 704           HZ2      LYS 704  -4.042   8.865 -10.057
  230    HZ3  LYS 704           HZ3      LYS 704  -3.910   8.025 -11.477
  231    H    ARG 705           H        ARG 705  -3.572  14.127  -9.752
  232    HA   ARG 705           HA       ARG 705  -3.796  14.958 -12.608
  233    HB2  ARG 705           HB2      ARG 705  -3.582  17.225 -12.004
  234    HB3  ARG 705           HB3      ARG 705  -4.809  16.520 -10.948
  235    HG2  ARG 705           HG2      ARG 705  -2.747  16.281  -9.302
  236    HG3  ARG 705           HG3      ARG 705  -2.046  17.556 -10.289
  237    HD2  ARG 705           HD2      ARG 705  -4.010  18.997  -9.868
  238    HD3  ARG 705           HD3      ARG 705  -4.792  17.691  -8.958
  239    HE   ARG 705           HE       ARG 705  -2.205  18.395  -7.861
  240   HH11  ARG 705          HH11      ARG 705  -5.684  19.205  -7.766
  241   HH12  ARG 705          HH12      ARG 705  -5.617  19.825  -6.146
  242   HH21  ARG 705          HH21      ARG 705  -2.174  19.280  -5.710
  243   HH22  ARG 705          HH22      ARG 705  -3.637  20.033  -5.056
  244    H    THR 706           H        THR 706  -1.817  13.183 -10.831
  245    HA   THR 706           HA       THR 706   0.649  14.220 -12.134
  246    HB   THR 706           HB       THR 706   1.798  13.180 -10.110
  247    HG1  THR 706           HG1      THR 706  -0.710  13.399  -8.854
  248   HG21  THR 706          HG21      THR 706  -0.117  15.508  -9.576
  249   HG22  THR 706          HG22      THR 706   1.333  15.109  -8.632
  250   HG23  THR 706          HG23      THR 706   1.484  15.629 -10.322
  251    H    GLY 707           H        GLY 707  -1.623  11.777 -12.206
  252    HA2  GLY 707           HA2      GLY 707  -0.583   9.981 -13.949
  253    HA3  GLY 707           HA3      GLY 707  -0.083   9.409 -12.331
  Start of MODEL    7
    1    H1   GLY  -3           H1       GLY  -3  -0.244   2.434   3.325
    2    H2   GLY  -3           H2       GLY  -3   0.988   3.510   3.182
    3    H3   GLY  -3           H3       GLY  -3   0.674   2.441   1.961
    4    HA2  GLY  -3           HA2      GLY  -3   2.606   1.747   3.262
    5    HA3  GLY  -3           HA3      GLY  -3   1.528   1.702   4.684
    6    H    HIS  -2           H        HIS  -2   0.014   0.025   4.880
    7    HA   HIS  -2           HA       HIS  -2   0.349  -2.359   3.193
    8    HB2  HIS  -2           HB2      HIS  -2  -1.206  -3.395   4.629
    9    HB3  HIS  -2           HB3      HIS  -2  -0.214  -2.395   5.683
   10    HD1  HIS  -2           HD1      HIS  -2  -3.734  -2.478   4.122
   11    HD2  HIS  -2           HD2      HIS  -2  -1.529  -0.507   7.109
   12    HE1  HIS  -2           HE1      HIS  -2  -5.414  -1.133   5.503
   13    H    MET  -1           H        MET  -1  -1.628   0.533   3.245
   14    HA   MET  -1           HA       MET  -1  -2.692  -0.072   0.588
   15    HB2  MET  -1           HB2      MET  -1  -4.439  -0.979   2.033
   16    HB3  MET  -1           HB3      MET  -1  -4.404   0.447   3.056
   17    HG2  MET  -1           HG2      MET  -1  -5.284   1.800   1.147
   18    HG3  MET  -1           HG3      MET  -1  -5.333   0.333   0.155
   19    HE1  MET  -1           HE1      MET  -1  -7.787   2.297   0.524
   20    HE2  MET  -1           HE2      MET  -1  -7.875   0.804  -0.439
   21    HE3  MET  -1           HE3      MET  -1  -9.120   1.142   0.779
   22    H    PHE 679           H        PHE 679  -3.359   2.129  -0.372
   23    HA   PHE 679           HA       PHE 679  -2.923   4.315  -0.806
   24    HB2  PHE 679           HB2      PHE 679  -2.633   4.649   2.220
   25    HB3  PHE 679           HB3      PHE 679  -2.207   5.862   1.104
   26    HD1  PHE 679           HD1      PHE 679  -5.092   4.000   2.458
   27    HD2  PHE 679           HD2      PHE 679  -3.696   7.374   0.191
   28    HE1  PHE 679           HE1      PHE 679  -7.348   5.096   2.665
   29    HE2  PHE 679           HE2      PHE 679  -5.959   8.343   0.215
   30    HZ   PHE 679           HZ       PHE 679  -7.806   7.192   1.426
   31    HA   PRO 680           HA       PRO 680   1.491   4.703  -1.557
   32    HB2  PRO 680           HB2      PRO 680   1.140   7.412  -0.243
   33    HB3  PRO 680           HB3      PRO 680   2.169   6.989  -1.653
   34    HG2  PRO 680           HG2      PRO 680  -0.267   8.089  -1.985
   35    HG3  PRO 680           HG3      PRO 680   0.262   6.748  -3.052
   36    HD2  PRO 680           HD2      PRO 680  -1.709   6.710  -0.823
   37    HD3  PRO 680           HD3      PRO 680  -1.624   5.693  -2.274
   38    H    SER 681           H        SER 681   3.591   4.761  -0.477
   39    HA   SER 681           HA       SER 681   3.598   3.322   1.907
   40    HB2  SER 681           HB2      SER 681   5.917   4.945   0.823
   41    HB3  SER 681           HB3      SER 681   5.977   3.411   1.708
   42    HG   SER 681           HG       SER 681   6.267   3.130  -0.542
   43    H    ASP 682           H        ASP 682   3.810   6.795   1.418
   44    HA   ASP 682           HA       ASP 682   4.962   7.585   3.904
   45    HB2  ASP 682           HB2      ASP 682   4.082   9.850   3.089
   46    HB3  ASP 682           HB3      ASP 682   5.215   9.010   2.041
   47    H    ILE 683           H        ILE 683   1.794   6.372   3.313
   48    HA   ILE 683           HA       ILE 683   0.757   7.496   5.836
   49    HB   ILE 683           HB       ILE 683  -1.400   7.797   4.490
   50   HG12  ILE 683          HG12      ILE 683   0.447   7.881   2.086
   51   HG13  ILE 683          HG13      ILE 683  -0.680   6.585   2.469
   52   HG21  ILE 683          HG21      ILE 683  -1.047  10.048   3.934
   53   HG22  ILE 683          HG22      ILE 683   0.051   9.723   5.290
   54   HG23  ILE 683          HG23      ILE 683   0.682   9.792   3.623
   55   HD11  ILE 683          HD11      ILE 683  -1.591   8.096   0.805
   56   HD12  ILE 683          HD12      ILE 683  -2.561   8.205   2.293
   57   HD13  ILE 683          HD13      ILE 683  -1.410   9.493   1.846
   58    H    ASP 684           H        ASP 684  -1.619   6.330   5.981
   59    HA   ASP 684           HA       ASP 684  -1.899   3.832   4.670
   60    HB2  ASP 684           HB2      ASP 684  -0.708   3.743   7.380
   61    HB3  ASP 684           HB3      ASP 684  -2.257   2.907   7.306
   62    HA   PRO 685           HA       PRO 685  -5.848   5.147   4.699
   63    HB2  PRO 685           HB2      PRO 685  -7.175   2.880   6.148
   64    HB3  PRO 685           HB3      PRO 685  -7.430   3.423   4.466
   65    HG2  PRO 685           HG2      PRO 685  -6.060   1.134   5.043
   66    HG3  PRO 685           HG3      PRO 685  -5.556   2.223   3.710
   67    HD2  PRO 685           HD2      PRO 685  -4.485   2.137   6.549
   68    HD3  PRO 685           HD3      PRO 685  -3.560   2.094   4.996
   69    H    GLN 686           H        GLN 686  -5.135   3.846   7.924
   70    HA   GLN 686           HA       GLN 686  -7.338   5.147   9.165
   71    HB2  GLN 686           HB2      GLN 686  -5.879   3.285  10.184
   72    HB3  GLN 686           HB3      GLN 686  -4.687   4.545  10.543
   73    HG2  GLN 686           HG2      GLN 686  -6.742   5.773  11.677
   74    HG3  GLN 686           HG3      GLN 686  -7.504   4.189  11.617
   75   HE21  GLN 686          HE22      GLN 686  -4.966   6.155  13.075
   76   HE22  GLN 686          HE21      GLN 686  -4.518   4.989  14.314
   77    H    VAL 687           H        VAL 687  -3.896   5.984   8.787
   78    HA   VAL 687           HA       VAL 687  -4.069   8.485  10.130
   79    HB   VAL 687           HB       VAL 687  -1.903   7.659   8.164
   80   HG11  VAL 687          HG11      VAL 687  -1.759   9.961   9.102
   81   HG12  VAL 687          HG12      VAL 687  -1.837   9.294  10.743
   82   HG13  VAL 687          HG13      VAL 687  -0.443   8.941   9.692
   83   HG21  VAL 687          HG21      VAL 687  -0.727   6.621  10.140
   84   HG22  VAL 687          HG22      VAL 687  -2.250   6.738  11.051
   85   HG23  VAL 687          HG23      VAL 687  -2.136   5.710   9.602
   86    H    PHE 688           H        PHE 688  -4.431   7.502   6.719
   87    HA   PHE 688           HA       PHE 688  -4.310  10.138   5.635
   88    HB2  PHE 688           HB2      PHE 688  -4.120   8.051   4.275
   89    HB3  PHE 688           HB3      PHE 688  -5.840   7.745   4.546
   90    HD1  PHE 688           HD1      PHE 688  -3.430  10.309   3.283
   91    HD2  PHE 688           HD2      PHE 688  -7.508   8.919   3.211
   92    HE1  PHE 688           HE1      PHE 688  -3.957  11.944   1.525
   93    HE2  PHE 688           HE2      PHE 688  -8.025  10.546   1.393
   94    HZ   PHE 688           HZ       PHE 688  -6.228  12.055   0.546
   95    H    TYR 689           H        TYR 689  -7.017   8.175   6.992
   96    HA   TYR 689           HA       TYR 689  -8.898  10.328   6.337
   97    HB2  TYR 689           HB2      TYR 689  -9.133   7.668   7.726
   98    HB3  TYR 689           HB3      TYR 689 -10.479   8.821   7.593
   99    HD1  TYR 689           HD1      TYR 689 -10.507   9.811   4.920
  100    HD2  TYR 689           HD2      TYR 689  -9.510   5.850   6.280
  101    HE1  TYR 689           HE1      TYR 689 -11.020   8.939   2.679
  102    HE2  TYR 689           HE2      TYR 689 -10.056   4.945   4.045
  103    HH   TYR 689           HH       TYR 689 -10.842   5.440   1.895
  104    H    GLU 690           H        GLU 690  -6.786   9.577   9.037
  105    HA   GLU 690           HA       GLU 690  -8.100  11.406  10.873
  106    HB2  GLU 690           HB2      GLU 690  -5.286  10.246  10.719
  107    HB3  GLU 690           HB3      GLU 690  -5.814  11.326  12.006
  108    HG2  GLU 690           HG2      GLU 690  -7.455   9.781  12.805
  109    HG3  GLU 690           HG3      GLU 690  -7.283   8.721  11.421
  110    H    LEU 691           H        LEU 691  -6.360  11.912   7.952
  111    HA   LEU 691           HA       LEU 691  -5.289  14.534   8.594
  112    HB2  LEU 691           HB2      LEU 691  -6.138  13.364   5.917
  113    HB3  LEU 691           HB3      LEU 691  -5.212  14.841   6.123
  114    HG   LEU 691           HG       LEU 691  -4.280  12.032   6.704
  115   HD11  LEU 691          HD11      LEU 691  -4.309  12.760   4.336
  116   HD12  LEU 691          HD12      LEU 691  -3.187  14.075   4.758
  117   HD13  LEU 691          HD13      LEU 691  -2.691  12.383   4.944
  118   HD21  LEU 691          HD21      LEU 691  -2.806  14.636   7.261
  119   HD22  LEU 691          HD22      LEU 691  -3.293  13.401   8.451
  120   HD23  LEU 691          HD23      LEU 691  -2.059  13.017   7.255
  121    HA   PRO 692           HA       PRO 692  -9.093  16.867   8.389
  122    HB2  PRO 692           HB2      PRO 692  -7.708  18.749   6.501
  123    HB3  PRO 692           HB3      PRO 692  -8.592  19.122   8.012
  124    HG2  PRO 692           HG2      PRO 692  -5.869  19.164   7.952
  125    HG3  PRO 692           HG3      PRO 692  -6.743  18.472   9.356
  126    HD2  PRO 692           HD2      PRO 692  -5.517  17.007   7.003
  127    HD3  PRO 692           HD3      PRO 692  -5.395  16.631   8.762
  128    H    GLU 693           H        GLU 693 -10.894  16.892   7.036
  129    HA   GLU 693           HA       GLU 693 -10.966  15.227   4.839
  130    HB2  GLU 693           HB2      GLU 693 -12.803  15.823   6.323
  131    HB3  GLU 693           HB3      GLU 693 -12.864  17.456   5.697
  132    HG2  GLU 693           HG2      GLU 693 -13.227  15.161   3.756
  133    HG3  GLU 693           HG3      GLU 693 -14.509  15.477   4.922
  134    H    ALA 694           H        ALA 694 -10.427  18.759   4.698
  135    HA   ALA 694           HA       ALA 694 -10.421  18.739   1.828
  136    HB1  ALA 694           HB1      ALA 694  -9.066  20.699   3.742
  137    HB2  ALA 694           HB2      ALA 694  -9.374  20.959   2.012
  138    HB3  ALA 694           HB3      ALA 694 -10.743  20.827   3.131
  139    H    VAL 695           H        VAL 695  -7.847  18.040   4.189
  140    HA   VAL 695           HA       VAL 695  -5.807  18.156   2.162
  141    HB   VAL 695           HB       VAL 695  -5.836  16.724   4.839
  142   HG11  VAL 695          HG11      VAL 695  -4.242  15.606   3.339
  143   HG12  VAL 695          HG12      VAL 695  -3.504  17.160   2.929
  144   HG13  VAL 695          HG13      VAL 695  -3.380  16.526   4.588
  145   HG21  VAL 695          HG21      VAL 695  -5.918  19.195   5.018
  146   HG22  VAL 695          HG22      VAL 695  -4.340  18.584   5.544
  147   HG23  VAL 695          HG23      VAL 695  -4.516  19.325   3.938
  148    H    GLN 696           H        GLN 696  -8.099  15.681   3.340
  149    HA   GLN 696           HA       GLN 696  -6.991  13.509   1.927
  150    HB2  GLN 696           HB2      GLN 696  -9.914  14.068   2.539
  151    HB3  GLN 696           HB3      GLN 696  -9.285  12.537   1.965
  152    HG2  GLN 696           HG2      GLN 696  -8.053  12.169   3.986
  153    HG3  GLN 696           HG3      GLN 696  -8.300  13.820   4.546
  154   HE21  GLN 696          HE22      GLN 696  -9.332  13.192   6.518
  155   HE22  GLN 696          HE21      GLN 696 -10.888  12.407   6.540
  156    H    LYS 697           H        LYS 697  -9.578  15.789   0.984
  157    HA   LYS 697           HA       LYS 697 -10.079  15.027  -1.665
  158    HB2  LYS 697           HB2      LYS 697 -10.105  17.709  -0.403
  159    HB3  LYS 697           HB3      LYS 697 -10.588  17.398  -2.079
  160    HG2  LYS 697           HG2      LYS 697 -12.232  15.703  -1.379
  161    HG3  LYS 697           HG3      LYS 697 -11.735  15.879   0.329
  162    HD2  LYS 697           HD2      LYS 697 -12.200  18.259   0.208
  163    HD3  LYS 697           HD3      LYS 697 -12.779  18.042  -1.479
  164    HE2  LYS 697           HE2      LYS 697 -14.713  16.846  -0.765
  165    HE3  LYS 697           HE3      LYS 697 -13.908  16.339   0.735
  166    HZ1  LYS 697           HZ1      LYS 697 -15.455  17.877   1.389
  167    HZ2  LYS 697           HZ2      LYS 697 -14.060  18.523   1.580
  168    HZ3  LYS 697           HZ3      LYS 697 -14.959  19.063   0.276
  169    H    GLU 698           H        GLU 698  -7.713  17.523  -0.633
  170    HA   GLU 698           HA       GLU 698  -6.848  18.075  -3.249
  171    HB2  GLU 698           HB2      GLU 698  -5.895  18.669  -0.445
  172    HB3  GLU 698           HB3      GLU 698  -4.817  19.041  -1.793
  173    HG2  GLU 698           HG2      GLU 698  -6.224  20.955  -1.114
  174    HG3  GLU 698           HG3      GLU 698  -6.369  20.511  -2.813
  175    H    LEU 699           H        LEU 699  -5.541  15.788  -0.826
  176    HA   LEU 699           HA       LEU 699  -3.282  14.921  -2.373
  177    HB2  LEU 699           HB2      LEU 699  -4.980  13.784  -0.153
  178    HB3  LEU 699           HB3      LEU 699  -3.860  12.737  -0.972
  179    HG   LEU 699           HG       LEU 699  -3.227  14.027   1.241
  180   HD11  LEU 699          HD11      LEU 699  -0.835  13.822   0.612
  181   HD12  LEU 699          HD12      LEU 699  -1.814  12.426   0.153
  182   HD13  LEU 699          HD13      LEU 699  -1.332  13.605  -1.086
  183   HD21  LEU 699          HD21      LEU 699  -3.509  16.354   0.370
  184   HD22  LEU 699          HD22      LEU 699  -1.879  16.016   0.963
  185   HD23  LEU 699          HD23      LEU 699  -2.201  16.058  -0.782
  186    H    LEU 700           H        LEU 700  -6.769  13.943  -2.441
  187    HA   LEU 700           HA       LEU 700  -6.338  11.834  -4.349
  188    HB2  LEU 700           HB2      LEU 700  -8.849  13.545  -4.247
  189    HB3  LEU 700           HB3      LEU 700  -8.630  11.972  -4.968
  190    HG   LEU 700           HG       LEU 700  -8.945  12.677  -2.055
  191   HD11  LEU 700          HD11      LEU 700 -10.937  12.274  -3.419
  192   HD12  LEU 700          HD12      LEU 700 -10.318  10.670  -3.876
  193   HD13  LEU 700          HD13      LEU 700 -10.732  11.025  -2.185
  194   HD21  LEU 700          HD21      LEU 700  -7.903  10.020  -3.123
  195   HD22  LEU 700          HD22      LEU 700  -7.049  11.142  -2.035
  196   HD23  LEU 700          HD23      LEU 700  -8.497  10.305  -1.472
  197    H    ALA 701           H        ALA 701  -6.779  15.371  -4.685
  198    HA   ALA 701           HA       ALA 701  -7.011  15.316  -7.550
  199    HB1  ALA 701           HB1      ALA 701  -7.807  17.202  -6.104
  200    HB2  ALA 701           HB2      ALA 701  -6.115  17.627  -5.768
  201    HB3  ALA 701           HB3      ALA 701  -6.735  17.733  -7.423
  202    H    GLU 702           H        GLU 702  -4.211  15.905  -5.329
  203    HA   GLU 702           HA       GLU 702  -2.271  16.294  -7.383
  204    HB2  GLU 702           HB2      GLU 702  -1.949  15.092  -4.592
  205    HB3  GLU 702           HB3      GLU 702  -0.620  15.484  -5.675
  206    HG2  GLU 702           HG2      GLU 702  -2.468  17.389  -4.241
  207    HG3  GLU 702           HG3      GLU 702  -0.711  17.255  -4.162
  208    H    TRP 703           H        TRP 703  -3.182  13.252  -5.624
  209    HA   TRP 703           HA       TRP 703  -1.513  11.579  -7.169
  210    HB2  TRP 703           HB2      TRP 703  -4.111  10.936  -5.744
  211    HB3  TRP 703           HB3      TRP 703  -3.021   9.737  -6.426
  212    HD1  TRP 703           HD1      TRP 703  -0.255  11.081  -5.345
  213    HE1  TRP 703           HE1      TRP 703   0.313  10.787  -2.858
  214    HE3  TRP 703           HE3      TRP 703  -4.952  10.201  -3.570
  215    HZ2  TRP 703           HZ2      TRP 703  -1.088  10.120  -0.432
  216    HZ3  TRP 703           HZ3      TRP 703  -5.330   9.807  -1.168
  217    HH2  TRP 703           HH2      TRP 703  -3.412   9.714   0.401
  218    H    LYS 704           H        LYS 704  -4.996  12.522  -7.812
  219    HA   LYS 704           HA       LYS 704  -4.972  10.852 -10.104
  220    HB2  LYS 704           HB2      LYS 704  -7.023  11.738  -8.837
  221    HB3  LYS 704           HB3      LYS 704  -6.814  13.242  -9.736
  222    HG2  LYS 704           HG2      LYS 704  -8.512  11.857 -10.776
  223    HG3  LYS 704           HG3      LYS 704  -7.158  11.976 -11.875
  224    HD2  LYS 704           HD2      LYS 704  -6.857   9.619 -10.132
  225    HD3  LYS 704           HD3      LYS 704  -8.453   9.645 -10.849
  226    HE2  LYS 704           HE2      LYS 704  -7.008   8.337 -12.249
  227    HE3  LYS 704           HE3      LYS 704  -7.451   9.808 -13.131
  228    HZ1  LYS 704           HZ1      LYS 704  -4.993   9.125 -13.188
  229    HZ2  LYS 704           HZ2      LYS 704  -5.228  10.676 -12.638
  230    HZ3  LYS 704           HZ3      LYS 704  -4.892   9.408 -11.670
  231    H    ARG 705           H        ARG 705  -3.563  14.044  -9.739
  232    HA   ARG 705           HA       ARG 705  -3.369  14.338 -12.691
  233    HB2  ARG 705           HB2      ARG 705  -2.132  15.962 -10.430
  234    HB3  ARG 705           HB3      ARG 705  -1.902  16.277 -12.154
  235    HG2  ARG 705           HG2      ARG 705  -4.484  16.425 -12.303
  236    HG3  ARG 705           HG3      ARG 705  -4.440  16.582 -10.553
  237    HD2  ARG 705           HD2      ARG 705  -3.396  18.438 -12.684
  238    HD3  ARG 705           HD3      ARG 705  -4.454  18.818 -11.326
  239    HE   ARG 705           HE       ARG 705  -1.587  18.927 -11.433
  240   HH11  ARG 705          HH11      ARG 705  -4.172  18.154  -9.073
  241   HH12  ARG 705          HH12      ARG 705  -3.196  18.708  -7.727
  242   HH21  ARG 705          HH21      ARG 705  -0.304  19.402  -9.568
  243   HH22  ARG 705          HH22      ARG 705  -0.989  19.151  -8.004
  244    H    THR 706           H        THR 706  -1.758  12.353 -10.447
  245    HA   THR 706           HA       THR 706   0.749  12.480 -12.050
  246    HB   THR 706           HB       THR 706   1.909  11.986  -9.890
  247    HG1  THR 706           HG1      THR 706  -0.470  12.922  -8.664
  248   HG21  THR 706          HG21      THR 706   1.828  14.283  -9.012
  249   HG22  THR 706          HG22      THR 706   1.842  14.300 -10.786
  250   HG23  THR 706          HG23      THR 706   0.336  14.615  -9.902
  251    H    GLY 707           H        GLY 707  -1.783  10.405 -10.810
  252    HA2  GLY 707           HA2      GLY 707  -0.793   8.284 -12.542
  253    HA3  GLY 707           HA3      GLY 707  -0.985   7.879 -10.814
  Start of MODEL    8
    1    H1   GLY  -3           H1       GLY  -3   1.402   3.205   3.416
    2    H2   GLY  -3           H2       GLY  -3   0.854   2.408   2.087
    3    H3   GLY  -3           H3       GLY  -3   0.060   2.278   3.519
    4    HA2  GLY  -3           HA2      GLY  -3   2.749   1.240   2.995
    5    HA3  GLY  -3           HA3      GLY  -3   1.852   1.130   4.535
    6    H    HIS  -2           H        HIS  -2  -0.280   0.027   4.470
    7    HA   HIS  -2           HA       HIS  -2  -0.132  -2.379   2.767
    8    HB2  HIS  -2           HB2      HIS  -2  -1.583  -3.379   4.306
    9    HB3  HIS  -2           HB3      HIS  -2  -0.459  -2.447   5.285
   10    HD1  HIS  -2           HD1      HIS  -2  -4.104  -2.382   4.074
   11    HD2  HIS  -2           HD2      HIS  -2  -1.558  -0.528   6.852
   12    HE1  HIS  -2           HE1      HIS  -2  -5.601  -0.993   5.616
   13    H    MET  -1           H        MET  -1  -1.932   0.647   2.790
   14    HA   MET  -1           HA       MET  -1  -3.565  -0.433   0.552
   15    HB2  MET  -1           HB2      MET  -1  -4.876  -0.835   2.563
   16    HB3  MET  -1           HB3      MET  -1  -4.678   0.847   3.070
   17    HG2  MET  -1           HG2      MET  -1  -6.017   1.587   1.138
   18    HG3  MET  -1           HG3      MET  -1  -6.113  -0.076   0.549
   19    HE1  MET  -1           HE1      MET  -1  -9.792   0.751   1.586
   20    HE2  MET  -1           HE2      MET  -1  -8.593   1.877   0.905
   21    HE3  MET  -1           HE3      MET  -1  -8.711   0.215   0.285
   22    H    PHE 679           H        PHE 679  -2.346   2.417   2.258
   23    HA   PHE 679           HA       PHE 679  -3.001   4.096  -0.152
   24    HB2  PHE 679           HB2      PHE 679  -2.468   4.721   2.754
   25    HB3  PHE 679           HB3      PHE 679  -2.080   5.894   1.563
   26    HD1  PHE 679           HD1      PHE 679  -4.926   4.065   3.077
   27    HD2  PHE 679           HD2      PHE 679  -3.666   7.277   0.497
   28    HE1  PHE 679           HE1      PHE 679  -7.242   5.045   3.133
   29    HE2  PHE 679           HE2      PHE 679  -5.988   8.100   0.383
   30    HZ   PHE 679           HZ       PHE 679  -7.784   6.976   1.688
   31    HA   PRO 680           HA       PRO 680   1.351   4.515  -1.356
   32    HB2  PRO 680           HB2      PRO 680   1.245   7.238  -0.035
   33    HB3  PRO 680           HB3      PRO 680   2.084   6.775  -1.548
   34    HG2  PRO 680           HG2      PRO 680  -0.365   7.966  -1.539
   35    HG3  PRO 680           HG3      PRO 680   0.033   6.696  -2.736
   36    HD2  PRO 680           HD2      PRO 680  -1.776   6.571  -0.419
   37    HD3  PRO 680           HD3      PRO 680  -1.722   5.546  -1.862
   38    H    SER 681           H        SER 681   3.586   4.658  -0.474
   39    HA   SER 681           HA       SER 681   3.842   3.093   1.733
   40    HB2  SER 681           HB2      SER 681   5.971   5.007   0.727
   41    HB3  SER 681           HB3      SER 681   6.199   3.412   1.466
   42    HG   SER 681           HG       SER 681   6.351   3.337  -0.820
   43    H    ASP 682           H        ASP 682   3.611   6.624   1.849
   44    HA   ASP 682           HA       ASP 682   4.924   6.865   4.448
   45    HB2  ASP 682           HB2      ASP 682   4.679   9.258   3.999
   46    HB3  ASP 682           HB3      ASP 682   5.385   8.447   2.606
   47    H    ILE 683           H        ILE 683   1.726   6.188   3.435
   48    HA   ILE 683           HA       ILE 683   0.542   7.214   5.955
   49    HB   ILE 683           HB       ILE 683  -1.493   7.583   4.298
   50   HG12  ILE 683          HG12      ILE 683   0.756   8.221   2.371
   51   HG13  ILE 683          HG13      ILE 683  -0.233   6.764   2.294
   52   HG21  ILE 683          HG21      ILE 683   0.648   9.705   4.345
   53   HG22  ILE 683          HG22      ILE 683  -1.104   9.925   4.137
   54   HG23  ILE 683          HG23      ILE 683  -0.469   9.368   5.695
   55   HD11  ILE 683          HD11      ILE 683  -1.126   9.651   1.923
   56   HD12  ILE 683          HD12      ILE 683  -1.132   8.328   0.759
   57   HD13  ILE 683          HD13      ILE 683  -2.261   8.292   2.127
   58    H    ASP 684           H        ASP 684  -1.752   6.188   6.144
   59    HA   ASP 684           HA       ASP 684  -2.353   3.920   4.590
   60    HB2  ASP 684           HB2      ASP 684  -0.919   3.325   7.084
   61    HB3  ASP 684           HB3      ASP 684  -2.480   2.527   6.992
   62    HA   PRO 685           HA       PRO 685  -6.224   5.152   5.109
   63    HB2  PRO 685           HB2      PRO 685  -7.381   2.913   6.752
   64    HB3  PRO 685           HB3      PRO 685  -7.893   3.490   5.133
   65    HG2  PRO 685           HG2      PRO 685  -6.515   1.167   5.413
   66    HG3  PRO 685           HG3      PRO 685  -6.140   2.302   4.073
   67    HD2  PRO 685           HD2      PRO 685  -4.778   2.117   6.786
   68    HD3  PRO 685           HD3      PRO 685  -4.006   2.040   5.152
   69    H    GLN 686           H        GLN 686  -5.138   3.902   8.251
   70    HA   GLN 686           HA       GLN 686  -7.052   5.422   9.689
   71    HB2  GLN 686           HB2      GLN 686  -5.507   3.505  10.570
   72    HB3  GLN 686           HB3      GLN 686  -4.306   4.787  10.807
   73    HG2  GLN 686           HG2      GLN 686  -6.308   6.014  12.057
   74    HG3  GLN 686           HG3      GLN 686  -7.014   4.399  12.116
   75   HE21  GLN 686          HE22      GLN 686  -4.391   6.485  13.230
   76   HE22  GLN 686          HE21      GLN 686  -3.807   5.402  14.489
   77    H    VAL 687           H        VAL 687  -3.643   5.993   8.831
   78    HA   VAL 687           HA       VAL 687  -3.370   8.535  10.021
   79    HB   VAL 687           HB       VAL 687  -1.784   7.354   7.696
   80   HG11  VAL 687          HG11      VAL 687   0.114   8.631   8.594
   81   HG12  VAL 687          HG12      VAL 687  -1.220   9.718   8.196
   82   HG13  VAL 687          HG13      VAL 687  -0.918   9.283   9.888
   83   HG21  VAL 687          HG21      VAL 687  -1.423   6.866  10.678
   84   HG22  VAL 687          HG22      VAL 687  -1.819   5.648   9.442
   85   HG23  VAL 687          HG23      VAL 687  -0.237   6.426   9.429
   86    H    PHE 688           H        PHE 688  -4.396   7.513   6.756
   87    HA   PHE 688           HA       PHE 688  -4.261  10.164   5.649
   88    HB2  PHE 688           HB2      PHE 688  -4.152   8.021   4.319
   89    HB3  PHE 688           HB3      PHE 688  -5.870   7.777   4.648
   90    HD1  PHE 688           HD1      PHE 688  -3.414  10.254   3.306
   91    HD2  PHE 688           HD2      PHE 688  -7.515   8.923   3.264
   92    HE1  PHE 688           HE1      PHE 688  -3.924  11.869   1.515
   93    HE2  PHE 688           HE2      PHE 688  -7.990  10.470   1.373
   94    HZ   PHE 688           HZ       PHE 688  -6.175  11.953   0.506
   95    H    TYR 689           H        TYR 689  -6.852   8.226   7.241
   96    HA   TYR 689           HA       TYR 689  -8.815  10.305   6.574
   97    HB2  TYR 689           HB2      TYR 689  -8.972   7.773   8.187
   98    HB3  TYR 689           HB3      TYR 689 -10.326   8.883   7.906
   99    HD1  TYR 689           HD1      TYR 689 -10.036   9.500   4.983
  100    HD2  TYR 689           HD2      TYR 689  -9.635   5.790   7.132
  101    HE1  TYR 689           HE1      TYR 689 -10.562   8.264   2.921
  102    HE2  TYR 689           HE2      TYR 689 -10.179   4.533   5.075
  103    HH   TYR 689           HH       TYR 689 -10.688   4.679   2.810
  104    H    GLU 690           H        GLU 690  -6.537   9.679   9.162
  105    HA   GLU 690           HA       GLU 690  -7.719  11.531  11.038
  106    HB2  GLU 690           HB2      GLU 690  -4.931  10.373  10.630
  107    HB3  GLU 690           HB3      GLU 690  -5.283  11.534  11.911
  108    HG2  GLU 690           HG2      GLU 690  -6.829  10.073  12.985
  109    HG3  GLU 690           HG3      GLU 690  -6.876   8.954  11.633
  110    H    LEU 691           H        LEU 691  -6.301  12.031   7.954
  111    HA   LEU 691           HA       LEU 691  -5.241  14.700   8.472
  112    HB2  LEU 691           HB2      LEU 691  -6.130  13.387   5.878
  113    HB3  LEU 691           HB3      LEU 691  -5.240  14.894   5.990
  114    HG   LEU 691           HG       LEU 691  -4.220  12.130   6.680
  115   HD11  LEU 691          HD11      LEU 691  -3.285  14.109   4.576
  116   HD12  LEU 691          HD12      LEU 691  -2.702  12.449   4.830
  117   HD13  LEU 691          HD13      LEU 691  -4.364  12.725   4.283
  118   HD21  LEU 691          HD21      LEU 691  -2.011  13.180   7.092
  119   HD22  LEU 691          HD22      LEU 691  -2.775  14.789   7.024
  120   HD23  LEU 691          HD23      LEU 691  -3.207  13.625   8.307
  121    HA   PRO 692           HA       PRO 692  -9.173  16.848   8.215
  122    HB2  PRO 692           HB2      PRO 692  -7.877  18.732   6.264
  123    HB3  PRO 692           HB3      PRO 692  -8.773  19.111   7.765
  124    HG2  PRO 692           HG2      PRO 692  -6.054  19.279   7.684
  125    HG3  PRO 692           HG3      PRO 692  -6.889  18.597   9.118
  126    HD2  PRO 692           HD2      PRO 692  -5.605  17.103   6.813
  127    HD3  PRO 692           HD3      PRO 692  -5.458  16.802   8.582
  128    H    GLU 693           H        GLU 693 -10.960  16.625   6.876
  129    HA   GLU 693           HA       GLU 693 -10.918  14.999   4.647
  130    HB2  GLU 693           HB2      GLU 693 -12.789  15.519   6.167
  131    HB3  GLU 693           HB3      GLU 693 -12.971  17.113   5.459
  132    HG2  GLU 693           HG2      GLU 693 -13.116  14.733   3.602
  133    HG3  GLU 693           HG3      GLU 693 -14.415  14.915   4.781
  134    H    ALA 694           H        ALA 694 -10.619  18.537   4.644
  135    HA   ALA 694           HA       ALA 694 -10.664  18.659   1.789
  136    HB1  ALA 694           HB1      ALA 694  -9.859  20.985   2.091
  137    HB2  ALA 694           HB2      ALA 694 -11.169  20.642   3.241
  138    HB3  ALA 694           HB3      ALA 694  -9.475  20.648   3.789
  139    H    VAL 695           H        VAL 695  -8.059  17.872   4.020
  140    HA   VAL 695           HA       VAL 695  -6.014  18.336   2.005
  141    HB   VAL 695           HB       VAL 695  -5.975  16.849   4.653
  142   HG11  VAL 695          HG11      VAL 695  -4.383  15.704   3.155
  143   HG12  VAL 695          HG12      VAL 695  -3.649  17.258   2.729
  144   HG13  VAL 695          HG13      VAL 695  -3.522  16.641   4.391
  145   HG21  VAL 695          HG21      VAL 695  -4.491  18.698   5.352
  146   HG22  VAL 695          HG22      VAL 695  -4.638  19.435   3.748
  147   HG23  VAL 695          HG23      VAL 695  -6.054  19.329   4.810
  148    H    GLN 696           H        GLN 696  -8.005  15.633   3.261
  149    HA   GLN 696           HA       GLN 696  -6.848  13.557   1.787
  150    HB2  GLN 696           HB2      GLN 696  -9.782  13.962   2.500
  151    HB3  GLN 696           HB3      GLN 696  -9.103  12.466   1.899
  152    HG2  GLN 696           HG2      GLN 696  -7.758  12.181   3.889
  153    HG3  GLN 696           HG3      GLN 696  -8.158  13.794   4.470
  154   HE21  GLN 696          HE22      GLN 696  -9.166  13.107   6.443
  155   HE22  GLN 696          HE21      GLN 696 -10.660  12.202   6.432
  156    H    LYS 697           H        LYS 697  -9.584  15.682   0.910
  157    HA   LYS 697           HA       LYS 697 -10.009  14.902  -1.748
  158    HB2  LYS 697           HB2      LYS 697 -10.341  17.510  -0.383
  159    HB3  LYS 697           HB3      LYS 697 -10.748  17.249  -2.099
  160    HG2  LYS 697           HG2      LYS 697 -12.181  15.320  -1.539
  161    HG3  LYS 697           HG3      LYS 697 -11.752  15.463   0.190
  162    HD2  LYS 697           HD2      LYS 697 -12.568  17.730   0.200
  163    HD3  LYS 697           HD3      LYS 697 -13.049  17.561  -1.525
  164    HE2  LYS 697           HE2      LYS 697 -14.784  15.985  -0.971
  165    HE3  LYS 697           HE3      LYS 697 -14.012  15.612   0.580
  166    HZ1  LYS 697           HZ1      LYS 697 -15.515  18.101   0.031
  167    HZ2  LYS 697           HZ2      LYS 697 -15.794  16.883   1.170
  168    HZ3  LYS 697           HZ3      LYS 697 -14.554  17.778   1.367
  169    H    GLU 698           H        GLU 698  -7.586  17.382  -0.631
  170    HA   GLU 698           HA       GLU 698  -6.793  18.050  -3.283
  171    HB2  GLU 698           HB2      GLU 698  -6.261  19.007  -0.705
  172    HB3  GLU 698           HB3      GLU 698  -4.701  18.363  -1.194
  173    HG2  GLU 698           HG2      GLU 698  -6.406  20.445  -2.629
  174    HG3  GLU 698           HG3      GLU 698  -4.868  20.719  -1.801
  175    H    LEU 699           H        LEU 699  -5.530  15.680  -0.941
  176    HA   LEU 699           HA       LEU 699  -3.346  14.702  -2.531
  177    HB2  LEU 699           HB2      LEU 699  -4.990  13.708  -0.209
  178    HB3  LEU 699           HB3      LEU 699  -3.904  12.600  -1.007
  179    HG   LEU 699           HG       LEU 699  -3.225  14.030   1.144
  180   HD11  LEU 699          HD11      LEU 699  -0.823  13.733   0.485
  181   HD12  LEU 699          HD12      LEU 699  -1.860  12.317   0.293
  182   HD13  LEU 699          HD13      LEU 699  -1.393  13.271  -1.139
  183   HD21  LEU 699          HD21      LEU 699  -1.777  15.924   0.667
  184   HD22  LEU 699          HD22      LEU 699  -2.171  15.852  -1.057
  185   HD23  LEU 699          HD23      LEU 699  -3.423  16.273   0.131
  186    H    LEU 700           H        LEU 700  -6.844  13.908  -2.653
  187    HA   LEU 700           HA       LEU 700  -6.388  11.732  -4.531
  188    HB2  LEU 700           HB2      LEU 700  -8.855  13.508  -4.254
  189    HB3  LEU 700           HB3      LEU 700  -8.716  12.071  -5.246
  190    HG   LEU 700           HG       LEU 700  -8.813  12.237  -2.221
  191   HD11  LEU 700          HD11      LEU 700 -10.932  12.204  -3.492
  192   HD12  LEU 700          HD12      LEU 700 -10.443  10.687  -4.284
  193   HD13  LEU 700          HD13      LEU 700 -10.722  10.736  -2.531
  194   HD21  LEU 700          HD21      LEU 700  -8.523   9.732  -2.225
  195   HD22  LEU 700          HD22      LEU 700  -7.980   9.837  -3.917
  196   HD23  LEU 700          HD23      LEU 700  -7.056  10.621  -2.608
  197    H    ALA 701           H        ALA 701  -6.833  15.281  -4.872
  198    HA   ALA 701           HA       ALA 701  -6.872  15.204  -7.748
  199    HB1  ALA 701           HB1      ALA 701  -6.478  17.607  -7.623
  200    HB2  ALA 701           HB2      ALA 701  -7.712  17.144  -6.435
  201    HB3  ALA 701           HB3      ALA 701  -6.055  17.495  -5.907
  202    H    GLU 702           H        GLU 702  -4.217  15.528  -5.317
  203    HA   GLU 702           HA       GLU 702  -2.116  15.790  -7.153
  204    HB2  GLU 702           HB2      GLU 702  -1.960  16.042  -4.648
  205    HB3  GLU 702           HB3      GLU 702  -1.978  14.282  -4.524
  206    HG2  GLU 702           HG2      GLU 702   0.310  15.011  -4.427
  207    HG3  GLU 702           HG3      GLU 702   0.082  14.185  -5.967
  208    H    TRP 703           H        TRP 703  -3.383  12.766  -5.664
  209    HA   TRP 703           HA       TRP 703  -1.919  11.069  -7.471
  210    HB2  TRP 703           HB2      TRP 703  -4.303  10.475  -5.675
  211    HB3  TRP 703           HB3      TRP 703  -3.198   9.265  -6.347
  212    HD1  TRP 703           HD1      TRP 703  -0.498  11.010  -5.526
  213    HE1  TRP 703           HE1      TRP 703   0.192  11.011  -3.063
  214    HE3  TRP 703           HE3      TRP 703  -4.973   9.741  -3.472
  215    HZ2  TRP 703           HZ2      TRP 703  -1.011  10.305  -0.519
  216    HZ3  TRP 703           HZ3      TRP 703  -5.217   9.491  -1.023
  217    HH2  TRP 703           HH2      TRP 703  -3.237   9.691   0.448
  218    H    LYS 704           H        LYS 704  -4.522  13.045  -8.220
  219    HA   LYS 704           HA       LYS 704  -4.884  11.395 -10.628
  220    HB2  LYS 704           HB2      LYS 704  -6.888  11.459  -9.130
  221    HB3  LYS 704           HB3      LYS 704  -7.030  13.179  -9.474
  222    HG2  LYS 704           HG2      LYS 704  -8.535  11.637 -10.779
  223    HG3  LYS 704           HG3      LYS 704  -7.627  12.786 -11.729
  224    HD2  LYS 704           HD2      LYS 704  -7.760  10.668 -12.851
  225    HD3  LYS 704           HD3      LYS 704  -6.093  11.044 -12.514
  226    HE2  LYS 704           HE2      LYS 704  -7.597   9.277 -10.558
  227    HE3  LYS 704           HE3      LYS 704  -7.185   8.634 -12.155
  228    HZ1  LYS 704           HZ1      LYS 704  -5.374   8.051 -10.824
  229    HZ2  LYS 704           HZ2      LYS 704  -4.845   9.271 -11.698
  230    HZ3  LYS 704           HZ3      LYS 704  -5.204   9.548 -10.151
  231    H    ARG 705           H        ARG 705  -3.197  13.945  -9.717
  232    HA   ARG 705           HA       ARG 705  -3.205  14.878 -12.549
  233    HB2  ARG 705           HB2      ARG 705  -2.484  17.018 -11.902
  234    HB3  ARG 705           HB3      ARG 705  -3.835  16.599 -10.843
  235    HG2  ARG 705           HG2      ARG 705  -1.967  15.867  -9.184
  236    HG3  ARG 705           HG3      ARG 705  -0.870  16.813 -10.183
  237    HD2  ARG 705           HD2      ARG 705  -2.166  18.834  -9.815
  238    HD3  ARG 705           HD3      ARG 705  -3.474  17.902  -9.066
  239    HE   ARG 705           HE       ARG 705  -0.821  17.775  -7.760
  240   HH11  ARG 705          HH11      ARG 705  -4.232  18.829  -7.589
  241   HH12  ARG 705          HH12      ARG 705  -4.133  19.282  -5.919
  242   HH21  ARG 705          HH21      ARG 705  -0.750  18.415  -5.515
  243   HH22  ARG 705          HH22      ARG 705  -2.215  19.043  -4.769
  244    H    THR 706           H        THR 706  -1.647  12.774 -10.621
  245    HA   THR 706           HA       THR 706   0.980  13.176 -11.970
  246    HB   THR 706           HB       THR 706   1.849  11.902  -9.951
  247    HG1  THR 706           HG1      THR 706  -0.558  12.656  -8.707
  248   HG21  THR 706          HG21      THR 706   0.493  14.597  -9.415
  249   HG22  THR 706          HG22      THR 706   1.791  13.872  -8.442
  250   HG23  THR 706          HG23      THR 706   2.097  14.355 -10.124
  251    H    GLY 707           H        GLY 707  -1.808  11.297 -11.944
  252    HA2  GLY 707           HA2      GLY 707  -1.169   9.369 -13.777
  253    HA3  GLY 707           HA3      GLY 707  -0.933   8.637 -12.163
  Start of MODEL    9
    1    H1   GLY  -3           H1       GLY  -3   0.014  10.111  -9.551
    2    H2   GLY  -3           H2       GLY  -3  -1.277   9.188  -9.107
    3    H3   GLY  -3           H3       GLY  -3  -0.201   9.684  -7.963
    4    HA2  GLY  -3           HA2      GLY  -3   0.255   7.799 -10.149
    5    HA3  GLY  -3           HA3      GLY  -3   1.528   8.376  -9.037
    6    H    HIS  -2           H        HIS  -2  -1.156   6.239  -9.430
    7    HA   HIS  -2           HA       HIS  -2  -1.970   4.517  -8.258
    8    HB2  HIS  -2           HB2      HIS  -2   0.329   3.866  -7.651
    9    HB3  HIS  -2           HB3      HIS  -2   0.253   4.898  -6.226
   10    HD1  HIS  -2           HD1      HIS  -2  -0.199   3.459  -4.112
   11    HD2  HIS  -2           HD2      HIS  -2  -2.233   2.162  -7.584
   12    HE1  HIS  -2           HE1      HIS  -2  -1.776   1.593  -3.393
   13    H    MET  -1           H        MET  -1  -2.672   4.230  -5.582
   14    HA   MET  -1           HA       MET  -1  -4.488   6.572  -5.326
   15    HB2  MET  -1           HB2      MET  -1  -5.338   4.199  -5.829
   16    HB3  MET  -1           HB3      MET  -1  -4.829   3.769  -4.192
   17    HG2  MET  -1           HG2      MET  -1  -7.187   4.292  -4.204
   18    HG3  MET  -1           HG3      MET  -1  -6.346   5.548  -3.301
   19    HE1  MET  -1           HE1      MET  -1  -9.197   7.691  -4.737
   20    HE2  MET  -1           HE2      MET  -1  -9.322   6.007  -4.171
   21    HE3  MET  -1           HE3      MET  -1  -8.275   7.159  -3.314
   22    H    PHE 679           H        PHE 679  -1.942   4.836  -3.653
   23    HA   PHE 679           HA       PHE 679  -1.921   6.896  -1.670
   24    HB2  PHE 679           HB2      PHE 679  -2.729   4.089  -0.923
   25    HB3  PHE 679           HB3      PHE 679  -1.567   4.872   0.121
   26    HD1  PHE 679           HD2      PHE 679  -2.296   7.624   0.384
   27    HD2  PHE 679           HD1      PHE 679  -4.857   4.147   0.211
   28    HE1  PHE 679           HE2      PHE 679  -4.027   8.866   1.517
   29    HE2  PHE 679           HE1      PHE 679  -6.599   5.420   1.534
   30    HZ   PHE 679           HZ       PHE 679  -6.210   7.736   2.116
   31    HA   PRO 680           HA       PRO 680   2.511   5.833  -1.921
   32    HB2  PRO 680           HB2      PRO 680   2.595   6.977   0.859
   33    HB3  PRO 680           HB3      PRO 680   3.580   7.421  -0.576
   34    HG2  PRO 680           HG2      PRO 680   1.600   9.019   0.334
   35    HG3  PRO 680           HG3      PRO 680   1.777   8.737  -1.437
   36    HD2  PRO 680           HD2      PRO 680  -0.050   7.282   0.511
   37    HD3  PRO 680           HD3      PRO 680  -0.457   8.080  -1.047
   38    H    SER 681           H        SER 681   4.053   5.256   0.515
   39    HA   SER 681           HA       SER 681   2.846   2.749   1.533
   40    HB2  SER 681           HB2      SER 681   4.962   1.552   1.018
   41    HB3  SER 681           HB3      SER 681   4.104   2.073  -0.437
   42    HG   SER 681           HG       SER 681   6.272   3.419   0.797
   43    H    ASP 682           H        ASP 682   2.802   4.966   3.002
   44    HA   ASP 682           HA       ASP 682   4.873   4.691   5.057
   45    HB2  ASP 682           HB2      ASP 682   5.259   7.246   4.899
   46    HB3  ASP 682           HB3      ASP 682   6.109   6.189   3.777
   47    H    ILE 683           H        ILE 683   2.349   7.038   3.991
   48    HA   ILE 683           HA       ILE 683   1.141   7.162   6.589
   49    HB   ILE 683           HB       ILE 683  -0.814   8.103   5.328
   50   HG12  ILE 683          HG12      ILE 683   0.915   7.720   2.861
   51   HG13  ILE 683          HG13      ILE 683  -0.688   7.044   3.196
   52   HG21  ILE 683          HG21      ILE 683   0.169  10.214   4.935
   53   HG22  ILE 683          HG22      ILE 683   1.042   9.472   6.280
   54   HG23  ILE 683          HG23      ILE 683   1.776   9.498   4.649
   55   HD11  ILE 683          HD11      ILE 683  -1.618   9.349   3.225
   56   HD12  ILE 683          HD12      ILE 683  -0.039   9.977   2.691
   57   HD13  ILE 683          HD13      ILE 683  -0.940   8.857   1.675
   58    H    ASP 684           H        ASP 684  -0.252   5.853   7.571
   59    HA   ASP 684           HA       ASP 684  -1.215   3.428   6.238
   60    HB2  ASP 684           HB2      ASP 684  -0.717   3.191   8.561
   61    HB3  ASP 684           HB3      ASP 684  -1.604   4.662   8.979
   62    HA   PRO 685           HA       PRO 685  -4.508   5.632   4.300
   63    HB2  PRO 685           HB2      PRO 685  -6.325   3.292   4.865
   64    HB3  PRO 685           HB3      PRO 685  -5.961   4.078   3.303
   65    HG2  PRO 685           HG2      PRO 685  -4.858   1.686   3.916
   66    HG3  PRO 685           HG3      PRO 685  -3.843   2.965   3.152
   67    HD2  PRO 685           HD2      PRO 685  -4.145   2.330   6.109
   68    HD3  PRO 685           HD3      PRO 685  -2.621   2.443   5.150
   69    H    GLN 686           H        GLN 686  -5.243   4.055   7.452
   70    HA   GLN 686           HA       GLN 686  -7.682   5.560   7.795
   71    HB2  GLN 686           HB2      GLN 686  -6.054   3.988   9.843
   72    HB3  GLN 686           HB3      GLN 686  -7.561   4.808  10.164
   73    HG2  GLN 686           HG2      GLN 686  -8.026   2.490   9.864
   74    HG3  GLN 686           HG3      GLN 686  -8.756   3.405   8.546
   75   HE21  GLN 686          HE22      GLN 686  -5.257   2.230   8.781
   76   HE22  GLN 686          HE21      GLN 686  -5.455   1.089   7.507
   77    H    VAL 687           H        VAL 687  -4.260   5.860   8.810
   78    HA   VAL 687           HA       VAL 687  -4.604   8.189  10.457
   79    HB   VAL 687           HB       VAL 687  -2.169   7.237   8.853
   80   HG11  VAL 687          HG11      VAL 687  -0.834   8.569  10.474
   81   HG12  VAL 687          HG12      VAL 687  -1.883   9.595   9.485
   82   HG13  VAL 687          HG13      VAL 687  -2.335   9.229  11.160
   83   HG21  VAL 687          HG21      VAL 687  -2.906   6.846  11.809
   84   HG22  VAL 687          HG22      VAL 687  -2.993   5.583  10.575
   85   HG23  VAL 687          HG23      VAL 687  -1.422   6.271  11.013
   86    H    PHE 688           H        PHE 688  -3.954   7.776   6.928
   87    HA   PHE 688           HA       PHE 688  -3.865  10.556   6.342
   88    HB2  PHE 688           HB2      PHE 688  -3.197   8.847   4.738
   89    HB3  PHE 688           HB3      PHE 688  -4.833   8.198   4.676
   90    HD1  PHE 688           HD1      PHE 688  -2.746  11.163   3.842
   91    HD2  PHE 688           HD2      PHE 688  -6.638   9.339   3.494
   92    HE1  PHE 688           HE1      PHE 688  -3.321  12.706   2.016
   93    HE2  PHE 688           HE2      PHE 688  -7.173  10.832   1.590
   94    HZ   PHE 688           HZ       PHE 688  -5.486  12.500   0.827
   95    H    TYR 689           H        TYR 689  -6.691   8.315   6.621
   96    HA   TYR 689           HA       TYR 689  -8.470  10.435   5.730
   97    HB2  TYR 689           HB2      TYR 689  -8.841   7.620   6.721
   98    HB3  TYR 689           HB3      TYR 689 -10.218   8.712   6.454
   99    HD1  TYR 689           HD1      TYR 689  -9.815  10.057   4.000
  100    HD2  TYR 689           HD2      TYR 689  -8.725   6.030   5.042
  101    HE1  TYR 689           HE1      TYR 689  -9.847   9.448   1.610
  102    HE2  TYR 689           HE2      TYR 689  -8.787   5.387   2.651
  103    HH   TYR 689           HH       TYR 689  -9.508   7.766   0.061
  104    H    GLU 690           H        GLU 690  -7.042   9.776   8.822
  105    HA   GLU 690           HA       GLU 690  -9.020  11.233  10.350
  106    HB2  GLU 690           HB2      GLU 690  -7.187   9.635  11.172
  107    HB3  GLU 690           HB3      GLU 690  -6.037  10.952  10.909
  108    HG2  GLU 690           HG2      GLU 690  -7.327  12.373  12.507
  109    HG3  GLU 690           HG3      GLU 690  -8.458  11.039  12.766
  110    H    LEU 691           H        LEU 691  -6.607  12.179   8.037
  111    HA   LEU 691           HA       LEU 691  -6.143  14.847   8.916
  112    HB2  LEU 691           HB2      LEU 691  -6.223  13.748   6.083
  113    HB3  LEU 691           HB3      LEU 691  -5.517  15.286   6.539
  114    HG   LEU 691           HG       LEU 691  -4.473  12.552   7.382
  115   HD11  LEU 691          HD11      LEU 691  -4.110  13.227   5.006
  116   HD12  LEU 691          HD12      LEU 691  -3.217  14.656   5.579
  117   HD13  LEU 691          HD13      LEU 691  -2.619  13.020   5.937
  118   HD21  LEU 691          HD21      LEU 691  -2.534  13.765   8.311
  119   HD22  LEU 691          HD22      LEU 691  -3.377  15.315   8.051
  120   HD23  LEU 691          HD23      LEU 691  -4.010  14.099   9.195
  121    HA   PRO 692           HA       PRO 692  -9.977  16.887   8.184
  122    HB2  PRO 692           HB2      PRO 692  -8.569  19.004   6.564
  123    HB3  PRO 692           HB3      PRO 692  -9.619  19.195   7.999
  124    HG2  PRO 692           HG2      PRO 692  -6.907  19.446   8.192
  125    HG3  PRO 692           HG3      PRO 692  -7.862  18.647   9.485
  126    HD2  PRO 692           HD2      PRO 692  -6.280  17.344   7.249
  127    HD3  PRO 692           HD3      PRO 692  -6.358  16.905   8.995
  128    H    GLU 693           H        GLU 693 -11.570  16.969   6.631
  129    HA   GLU 693           HA       GLU 693 -11.788  15.588   4.402
  130    HB2  GLU 693           HB2      GLU 693 -13.588  16.897   5.457
  131    HB3  GLU 693           HB3      GLU 693 -12.838  18.405   4.962
  132    HG2  GLU 693           HG2      GLU 693 -14.773  17.942   3.574
  133    HG3  GLU 693           HG3      GLU 693 -13.304  17.934   2.596
  134    H    ALA 694           H        ALA 694 -10.916  19.054   4.113
  135    HA   ALA 694           HA       ALA 694 -10.393  18.731   1.358
  136    HB1  ALA 694           HB1      ALA 694  -9.565  21.107   1.568
  137    HB2  ALA 694           HB2      ALA 694 -11.105  20.862   2.431
  138    HB3  ALA 694           HB3      ALA 694  -9.569  20.917   3.348
  139    H    VAL 695           H        VAL 695  -8.241  18.220   4.065
  140    HA   VAL 695           HA       VAL 695  -5.847  18.649   2.504
  141    HB   VAL 695           HB       VAL 695  -6.339  17.139   5.097
  142   HG11  VAL 695          HG11      VAL 695  -3.879  17.068   5.384
  143   HG12  VAL 695          HG12      VAL 695  -4.412  16.105   3.993
  144   HG13  VAL 695          HG13      VAL 695  -3.681  17.698   3.732
  145   HG21  VAL 695          HG21      VAL 695  -6.580  19.594   5.294
  146   HG22  VAL 695          HG22      VAL 695  -5.108  19.061   6.116
  147   HG23  VAL 695          HG23      VAL 695  -5.002  19.821   4.516
  148    H    GLN 696           H        GLN 696  -7.963  15.897   3.434
  149    HA   GLN 696           HA       GLN 696  -6.499  13.888   2.122
  150    HB2  GLN 696           HB2      GLN 696  -9.513  14.127   2.250
  151    HB3  GLN 696           HB3      GLN 696  -8.632  12.658   1.907
  152    HG2  GLN 696           HG2      GLN 696  -7.950  12.455   4.198
  153    HG3  GLN 696           HG3      GLN 696  -8.452  14.107   4.565
  154   HE21  GLN 696          HE22      GLN 696  -9.803  13.072   6.296
  155   HE22  GLN 696          HE21      GLN 696 -11.335  12.357   5.864
  156    H    LYS 697           H        LYS 697  -9.135  16.011   0.986
  157    HA   LYS 697           HA       LYS 697  -9.273  14.796  -1.584
  158    HB2  LYS 697           HB2      LYS 697 -10.438  17.333  -0.435
  159    HB3  LYS 697           HB3      LYS 697 -10.505  17.050  -2.174
  160    HG2  LYS 697           HG2      LYS 697 -12.555  16.244  -1.184
  161    HG3  LYS 697           HG3      LYS 697 -11.629  14.886  -1.842
  162    HD2  LYS 697           HD2      LYS 697 -10.819  14.457   0.550
  163    HD3  LYS 697           HD3      LYS 697 -11.976  15.729   1.041
  164    HE2  LYS 697           HE2      LYS 697 -13.768  14.403   0.078
  165    HE3  LYS 697           HE3      LYS 697 -12.613  13.114  -0.360
  166    HZ1  LYS 697           HZ1      LYS 697 -13.387  14.069   2.328
  167    HZ2  LYS 697           HZ2      LYS 697 -13.721  12.617   1.747
  168    HZ3  LYS 697           HZ3      LYS 697 -12.159  13.003   2.163
  169    H    GLU 698           H        GLU 698  -7.242  17.595  -0.574
  170    HA   GLU 698           HA       GLU 698  -6.423  18.071  -3.290
  171    HB2  GLU 698           HB2      GLU 698  -6.024  19.803  -1.701
  172    HB3  GLU 698           HB3      GLU 698  -5.144  18.723  -0.616
  173    HG2  GLU 698           HG2      GLU 698  -3.707  20.334  -1.938
  174    HG3  GLU 698           HG3      GLU 698  -3.238  18.644  -2.025
  175    H    LEU 699           H        LEU 699  -4.916  16.075  -0.618
  176    HA   LEU 699           HA       LEU 699  -2.784  15.069  -2.199
  177    HB2  LEU 699           HB2      LEU 699  -4.314  14.215   0.251
  178    HB3  LEU 699           HB3      LEU 699  -3.193  13.082  -0.471
  179    HG   LEU 699           HG       LEU 699  -2.388  14.510   1.468
  180   HD11  LEU 699          HD11      LEU 699  -0.777  14.411  -1.104
  181   HD12  LEU 699          HD12      LEU 699  -0.101  14.700   0.525
  182   HD13  LEU 699          HD13      LEU 699  -0.902  13.167   0.154
  183   HD21  LEU 699          HD21      LEU 699  -3.188  16.717   0.743
  184   HD22  LEU 699          HD22      LEU 699  -1.446  16.697   1.048
  185   HD23  LEU 699          HD23      LEU 699  -2.048  16.683  -0.624
  186    H    LEU 700           H        LEU 700  -6.129  13.865  -1.911
  187    HA   LEU 700           HA       LEU 700  -5.695  11.534  -3.545
  188    HB2  LEU 700           HB2      LEU 700  -8.185  13.146  -2.865
  189    HB3  LEU 700           HB3      LEU 700  -8.238  11.640  -3.773
  190    HG   LEU 700           HG       LEU 700  -6.973  11.751  -1.000
  191   HD11  LEU 700          HD11      LEU 700  -9.890  11.134  -1.672
  192   HD12  LEU 700          HD12      LEU 700  -9.115  10.996  -0.070
  193   HD13  LEU 700          HD13      LEU 700  -9.306  12.585  -0.821
  194   HD21  LEU 700          HD21      LEU 700  -6.462   9.755  -2.334
  195   HD22  LEU 700          HD22      LEU 700  -7.492   9.360  -0.961
  196   HD23  LEU 700          HD23      LEU 700  -8.191   9.468  -2.600
  197    H    ALA 701           H        ALA 701  -6.785  14.915  -4.282
  198    HA   ALA 701           HA       ALA 701  -7.213  14.372  -7.084
  199    HB1  ALA 701           HB1      ALA 701  -6.709  17.003  -5.613
  200    HB2  ALA 701           HB2      ALA 701  -7.325  16.834  -7.273
  201    HB3  ALA 701           HB3      ALA 701  -8.303  16.266  -5.899
  202    H    GLU 702           H        GLU 702  -4.380  15.338  -5.160
  203    HA   GLU 702           HA       GLU 702  -2.655  15.874  -7.371
  204    HB2  GLU 702           HB2      GLU 702  -2.020  16.638  -5.189
  205    HB3  GLU 702           HB3      GLU 702  -2.144  15.034  -4.494
  206    HG2  GLU 702           HG2      GLU 702   0.219  15.959  -5.013
  207    HG3  GLU 702           HG3      GLU 702  -0.154  14.287  -5.425
  208    H    TRP 703           H        TRP 703  -2.932  12.945  -5.253
  209    HA   TRP 703           HA       TRP 703  -1.383  11.368  -6.962
  210    HB2  TRP 703           HB2      TRP 703  -3.610  10.595  -5.025
  211    HB3  TRP 703           HB3      TRP 703  -2.528   9.416  -5.766
  212    HD1  TRP 703           HD1      TRP 703   0.240  11.063  -5.193
  213    HE1  TRP 703           HE1      TRP 703   1.095  11.191  -2.786
  214    HE3  TRP 703           HE3      TRP 703  -4.105   9.984  -2.772
  215    HZ2  TRP 703           HZ2      TRP 703  -0.021  10.953  -0.098
  216    HZ3  TRP 703           HZ3      TRP 703  -4.241  10.094  -0.314
  217    HH2  TRP 703           HH2      TRP 703  -2.205  10.582   1.030
  218    H    LYS 704           H        LYS 704  -4.751  12.340  -7.556
  219    HA   LYS 704           HA       LYS 704  -4.879  10.341  -9.791
  220    HB2  LYS 704           HB2      LYS 704  -6.816  12.493  -8.871
  221    HB3  LYS 704           HB3      LYS 704  -7.052  11.478 -10.299
  222    HG2  LYS 704           HG2      LYS 704  -6.784  10.471  -7.459
  223    HG3  LYS 704           HG3      LYS 704  -8.277  10.704  -8.364
  224    HD2  LYS 704           HD2      LYS 704  -8.160   8.584  -8.975
  225    HD3  LYS 704           HD3      LYS 704  -6.834   8.997 -10.051
  226    HE2  LYS 704           HE2      LYS 704  -6.371   8.273  -7.122
  227    HE3  LYS 704           HE3      LYS 704  -6.619   7.018  -8.343
  228    HZ1  LYS 704           HZ1      LYS 704  -4.429   9.005  -8.469
  229    HZ2  LYS 704           HZ2      LYS 704  -4.246   7.471  -8.009
  230    HZ3  LYS 704           HZ3      LYS 704  -4.682   7.852  -9.549
  231    H    ARG 705           H        ARG 705  -4.209  13.882  -9.374
  232    HA   ARG 705           HA       ARG 705  -4.454  14.165 -12.195
  233    HB2  ARG 705           HB2      ARG 705  -3.594  16.359 -12.051
  234    HB3  ARG 705           HB3      ARG 705  -4.528  16.118 -10.581
  235    HG2  ARG 705           HG2      ARG 705  -2.278  15.645  -9.425
  236    HG3  ARG 705           HG3      ARG 705  -1.496  16.130 -10.915
  237    HD2  ARG 705           HD2      ARG 705  -1.471  17.984  -9.405
  238    HD3  ARG 705           HD3      ARG 705  -2.558  18.360 -10.743
  239    HE   ARG 705           HE       ARG 705  -4.462  17.826  -9.275
  240   HH11  ARG 705          HH11      ARG 705  -1.419  18.012  -7.391
  241   HH12  ARG 705          HH12      ARG 705  -2.250  18.790  -6.050
  242   HH21  ARG 705          HH21      ARG 705  -5.440  18.756  -7.385
  243   HH22  ARG 705          HH22      ARG 705  -4.454  19.095  -6.011
  244    H    THR 706           H        THR 706  -1.947  12.894 -10.150
  245    HA   THR 706           HA       THR 706  -0.123  12.636 -12.459
  246    HB   THR 706           HB       THR 706   1.455  11.888 -10.580
  247    HG1  THR 706           HG1      THR 706   0.240  13.204  -8.636
  248   HG21  THR 706          HG21      THR 706   1.466  14.136 -11.643
  249   HG22  THR 706          HG22      THR 706   0.299  14.703 -10.431
  250   HG23  THR 706          HG23      THR 706   1.925  14.190  -9.937
  251    H    GLY 707           H        GLY 707  -2.718  10.945 -12.055
  252    HA2  GLY 707           HA2      GLY 707  -2.930   8.892 -13.195
  253    HA3  GLY 707           HA3      GLY 707  -1.344   8.362 -12.619
  Start of MODEL   10
    1    H1   GLY  -3           H1       GLY  -3   0.928   2.581   5.022
    2    H2   GLY  -3           H2       GLY  -3   2.190   3.197   5.870
    3    H3   GLY  -3           H3       GLY  -3   2.306   3.030   4.239
    4    HA2  GLY  -3           HA2      GLY  -3   3.558   1.325   5.310
    5    HA3  GLY  -3           HA3      GLY  -3   2.073   0.810   6.144
    6    H    HIS  -2           H        HIS  -2   0.113   0.393   4.489
    7    HA   HIS  -2           HA       HIS  -2   1.218  -1.047   2.103
    8    HB2  HIS  -2           HB2      HIS  -2  -0.317  -2.237   4.443
    9    HB3  HIS  -2           HB3      HIS  -2  -0.280  -2.998   2.860
   10    HD1  HIS  -2           HD1      HIS  -2   3.142  -1.849   3.156
   11    HD2  HIS  -2           HD2      HIS  -2   0.774  -4.887   4.853
   12    HE1  HIS  -2           HE1      HIS  -2   4.746  -3.684   3.923
   13    H    MET  -1           H        MET  -1  -1.473   0.781   3.441
   14    HA   MET  -1           HA       MET  -1  -3.131  -0.103   1.098
   15    HB2  MET  -1           HB2      MET  -1  -4.085   0.730   3.837
   16    HB3  MET  -1           HB3      MET  -1  -5.073   0.124   2.503
   17    HG2  MET  -1           HG2      MET  -1  -3.827  -2.049   2.670
   18    HG3  MET  -1           HG3      MET  -1  -2.957  -1.393   4.059
   19    HE1  MET  -1           HE1      MET  -1  -6.260  -2.916   2.717
   20    HE2  MET  -1           HE2      MET  -1  -7.428  -2.585   4.015
   21    HE3  MET  -1           HE3      MET  -1  -6.836  -1.252   3.001
   22    H    PHE 679           H        PHE 679  -1.302   2.364   1.785
   23    HA   PHE 679           HA       PHE 679  -2.711   4.202   0.088
   24    HB2  PHE 679           HB2      PHE 679  -2.412   4.707   3.020
   25    HB3  PHE 679           HB3      PHE 679  -1.800   5.976   2.012
   26    HD1  PHE 679           HD1      PHE 679  -4.856   4.196   3.049
   27    HD2  PHE 679           HD2      PHE 679  -3.275   7.470   0.732
   28    HE1  PHE 679           HE1      PHE 679  -7.137   5.219   2.905
   29    HE2  PHE 679           HE2      PHE 679  -5.562   8.325   0.410
   30    HZ   PHE 679           HZ       PHE 679  -7.497   7.198   1.468
   31    HA   PRO 680           HA       PRO 680   0.974   5.000  -1.974
   32    HB2  PRO 680           HB2      PRO 680   1.577   7.193   0.039
   33    HB3  PRO 680           HB3      PRO 680   2.203   7.071  -1.655
   34    HG2  PRO 680           HG2      PRO 680  -0.143   8.311  -1.241
   35    HG3  PRO 680           HG3      PRO 680  -0.023   7.126  -2.565
   36    HD2  PRO 680           HD2      PRO 680  -1.408   6.868   0.045
   37    HD3  PRO 680           HD3      PRO 680  -1.732   6.031  -1.501
   38    H    SER 681           H        SER 681   2.577   5.498   1.214
   39    HA   SER 681           HA       SER 681   3.558   2.784   1.197
   40    HB2  SER 681           HB2      SER 681   5.553   5.001   0.543
   41    HB3  SER 681           HB3      SER 681   6.015   3.396   1.124
   42    HG   SER 681           HG       SER 681   4.290   3.369  -1.021
   43    H    ASP 682           H        ASP 682   4.029   6.155   2.386
   44    HA   ASP 682           HA       ASP 682   4.917   5.307   5.019
   45    HB2  ASP 682           HB2      ASP 682   5.009   7.716   5.433
   46    HB3  ASP 682           HB3      ASP 682   5.876   7.290   3.958
   47    H    ILE 683           H        ILE 683   2.181   7.258   3.768
   48    HA   ILE 683           HA       ILE 683   0.593   7.057   6.096
   49    HB   ILE 683           HB       ILE 683  -1.293   7.639   4.364
   50   HG12  ILE 683          HG12      ILE 683   1.116   8.348   2.633
   51   HG13  ILE 683          HG13      ILE 683   0.103   6.943   2.340
   52   HG21  ILE 683          HG21      ILE 683  -0.708   9.966   4.442
   53   HG22  ILE 683          HG22      ILE 683  -0.199   9.224   5.960
   54   HG23  ILE 683          HG23      ILE 683   1.009   9.578   4.689
   55   HD11  ILE 683          HD11      ILE 683  -1.882   8.545   2.197
   56   HD12  ILE 683          HD12      ILE 683  -0.719   9.891   2.251
   57   HD13  ILE 683          HD13      ILE 683  -0.643   8.735   0.934
   58    H    ASP 684           H        ASP 684  -1.491   6.073   6.353
   59    HA   ASP 684           HA       ASP 684  -2.166   3.674   4.864
   60    HB2  ASP 684           HB2      ASP 684  -1.142   3.584   7.675
   61    HB3  ASP 684           HB3      ASP 684  -2.616   2.691   7.369
   62    HA   PRO 685           HA       PRO 685  -5.978   5.350   4.935
   63    HB2  PRO 685           HB2      PRO 685  -7.452   3.202   6.417
   64    HB3  PRO 685           HB3      PRO 685  -7.673   3.740   4.725
   65    HG2  PRO 685           HG2      PRO 685  -6.472   1.355   5.324
   66    HG3  PRO 685           HG3      PRO 685  -5.880   2.375   3.975
   67    HD2  PRO 685           HD2      PRO 685  -4.868   2.285   6.844
   68    HD3  PRO 685           HD3      PRO 685  -3.897   2.141   5.339
   69    H    GLN 686           H        GLN 686  -5.331   4.087   8.170
   70    HA   GLN 686           HA       GLN 686  -7.363   5.649   9.428
   71    HB2  GLN 686           HB2      GLN 686  -6.051   3.672  10.446
   72    HB3  GLN 686           HB3      GLN 686  -4.735   4.820  10.728
   73    HG2  GLN 686           HG2      GLN 686  -6.663   6.263  11.878
   74    HG3  GLN 686           HG3      GLN 686  -7.511   4.721  11.939
   75   HE21  GLN 686          HE22      GLN 686  -4.742   6.581  13.099
   76   HE22  GLN 686          HE21      GLN 686  -4.325   5.494  14.412
   77    H    VAL 687           H        VAL 687  -3.872   6.098   8.940
   78    HA   VAL 687           HA       VAL 687  -3.586   8.627  10.156
   79    HB   VAL 687           HB       VAL 687  -1.888   7.462   7.907
   80   HG11  VAL 687          HG11      VAL 687  -1.165   9.290  10.235
   81   HG12  VAL 687          HG12      VAL 687  -0.039   8.670   9.002
   82   HG13  VAL 687          HG13      VAL 687  -1.333   9.786   8.540
   83   HG21  VAL 687          HG21      VAL 687  -0.492   6.419   9.712
   84   HG22  VAL 687          HG22      VAL 687  -1.774   6.822  10.879
   85   HG23  VAL 687          HG23      VAL 687  -2.080   5.678   9.555
   86    H    PHE 688           H        PHE 688  -4.351   7.640   6.817
   87    HA   PHE 688           HA       PHE 688  -4.122  10.267   5.721
   88    HB2  PHE 688           HB2      PHE 688  -3.975   8.147   4.408
   89    HB3  PHE 688           HB3      PHE 688  -5.701   7.873   4.684
   90    HD1  PHE 688           HD1      PHE 688  -3.250  10.380   3.371
   91    HD2  PHE 688           HD2      PHE 688  -7.329   8.992   3.292
   92    HE1  PHE 688           HE1      PHE 688  -3.745  11.931   1.521
   93    HE2  PHE 688           HE2      PHE 688  -7.794  10.485   1.354
   94    HZ   PHE 688           HZ       PHE 688  -5.980  11.939   0.455
   95    H    TYR 689           H        TYR 689  -6.926   8.433   7.091
   96    HA   TYR 689           HA       TYR 689  -8.713  10.627   6.307
   97    HB2  TYR 689           HB2      TYR 689  -9.142   8.037   7.792
   98    HB3  TYR 689           HB3      TYR 689 -10.420   9.219   7.443
   99    HD1  TYR 689           HD1      TYR 689 -10.019   9.984   4.668
  100    HD2  TYR 689           HD2      TYR 689  -9.608   6.134   6.532
  101    HE1  TYR 689           HE1      TYR 689 -10.400   8.909   2.482
  102    HE2  TYR 689           HE2      TYR 689  -9.997   5.032   4.341
  103    HH   TYR 689           HH       TYR 689 -10.614   6.885   1.348
  104    H    GLU 690           H        GLU 690  -6.734   9.833   9.070
  105    HA   GLU 690           HA       GLU 690  -8.005  11.654  10.914
  106    HB2  GLU 690           HB2      GLU 690  -5.208  10.464  10.663
  107    HB3  GLU 690           HB3      GLU 690  -5.638  11.583  11.954
  108    HG2  GLU 690           HG2      GLU 690  -7.272  10.103  12.868
  109    HG3  GLU 690           HG3      GLU 690  -7.224   9.028  11.493
  110    H    LEU 691           H        LEU 691  -6.385  12.208   7.969
  111    HA   LEU 691           HA       LEU 691  -5.354  14.856   8.611
  112    HB2  LEU 691           HB2      LEU 691  -5.987  13.620   5.903
  113    HB3  LEU 691           HB3      LEU 691  -5.041  15.075   6.175
  114    HG   LEU 691           HG       LEU 691  -4.252  12.239   6.854
  115   HD11  LEU 691          HD11      LEU 691  -4.045  12.912   4.488
  116   HD12  LEU 691          HD12      LEU 691  -2.968  14.241   4.972
  117   HD13  LEU 691          HD13      LEU 691  -2.480  12.550   5.245
  118   HD21  LEU 691          HD21      LEU 691  -2.706  14.780   7.492
  119   HD22  LEU 691          HD22      LEU 691  -3.379  13.616   8.664
  120   HD23  LEU 691          HD23      LEU 691  -2.071  13.117   7.602
  121    HA   PRO 692           HA       PRO 692  -9.174  17.057   8.216
  122    HB2  PRO 692           HB2      PRO 692  -7.864  18.983   6.313
  123    HB3  PRO 692           HB3      PRO 692  -8.723  19.323   7.848
  124    HG2  PRO 692           HG2      PRO 692  -5.999  19.433   7.708
  125    HG3  PRO 692           HG3      PRO 692  -6.816  18.728   9.146
  126    HD2  PRO 692           HD2      PRO 692  -5.633  17.274   6.759
  127    HD3  PRO 692           HD3      PRO 692  -5.435  16.924   8.516
  128    H    GLU 693           H        GLU 693 -10.961  17.088   6.854
  129    HA   GLU 693           HA       GLU 693 -11.198  15.422   4.774
  130    HB2  GLU 693           HB2      GLU 693 -13.080  16.475   5.978
  131    HB3  GLU 693           HB3      GLU 693 -12.695  18.035   5.270
  132    HG2  GLU 693           HG2      GLU 693 -14.661  17.127   4.208
  133    HG3  GLU 693           HG3      GLU 693 -13.353  17.231   3.034
  134    H    ALA 694           H        ALA 694 -10.557  18.910   4.305
  135    HA   ALA 694           HA       ALA 694 -10.491  18.630   1.488
  136    HB1  ALA 694           HB1      ALA 694  -9.283  20.796   3.259
  137    HB2  ALA 694           HB2      ALA 694  -9.538  20.924   1.501
  138    HB3  ALA 694           HB3      ALA 694 -10.937  20.786   2.586
  139    H    VAL 695           H        VAL 695  -7.975  17.954   3.828
  140    HA   VAL 695           HA       VAL 695  -5.861  18.121   1.855
  141    HB   VAL 695           HB       VAL 695  -5.975  16.843   4.614
  142   HG11  VAL 695          HG11      VAL 695  -3.510  16.644   4.477
  143   HG12  VAL 695          HG12      VAL 695  -4.320  15.605   3.295
  144   HG13  VAL 695          HG13      VAL 695  -3.576  17.128   2.767
  145   HG21  VAL 695          HG21      VAL 695  -4.495  18.740   5.247
  146   HG22  VAL 695          HG22      VAL 695  -4.616  19.380   3.594
  147   HG23  VAL 695          HG23      VAL 695  -6.052  19.313   4.639
  148    H    GLN 696           H        GLN 696  -8.231  15.723   3.031
  149    HA   GLN 696           HA       GLN 696  -6.859  13.427   1.955
  150    HB2  GLN 696           HB2      GLN 696  -9.831  13.889   2.440
  151    HB3  GLN 696           HB3      GLN 696  -9.097  12.334   2.104
  152    HG2  GLN 696           HG2      GLN 696  -8.033  12.271   4.236
  153    HG3  GLN 696           HG3      GLN 696  -8.394  13.972   4.567
  154   HE21  GLN 696          HE22      GLN 696  -9.554  13.266   6.570
  155   HE22  GLN 696          HE21      GLN 696 -11.183  12.647   6.395
  156    H    LYS 697           H        LYS 697  -9.438  15.600   0.951
  157    HA   LYS 697           HA       LYS 697 -10.027  14.490  -1.612
  158    HB2  LYS 697           HB2      LYS 697 -10.499  17.045  -0.118
  159    HB3  LYS 697           HB3      LYS 697 -10.632  17.122  -1.876
  160    HG2  LYS 697           HG2      LYS 697 -12.795  16.730  -1.123
  161    HG3  LYS 697           HG3      LYS 697 -12.272  15.201  -1.816
  162    HD2  LYS 697           HD2      LYS 697 -12.290  15.847   1.154
  163    HD3  LYS 697           HD3      LYS 697 -13.658  15.176   0.292
  164    HE2  LYS 697           HE2      LYS 697 -12.390  13.154  -0.281
  165    HE3  LYS 697           HE3      LYS 697 -11.000  13.745   0.644
  166    HZ1  LYS 697           HZ1      LYS 697 -12.534  12.197   1.934
  167    HZ2  LYS 697           HZ2      LYS 697 -12.316  13.608   2.674
  168    HZ3  LYS 697           HZ3      LYS 697 -13.657  13.448   1.910
  169    H    GLU 698           H        GLU 698  -7.824  17.222  -0.684
  170    HA   GLU 698           HA       GLU 698  -6.971  17.726  -3.312
  171    HB2  GLU 698           HB2      GLU 698  -6.789  19.338  -1.490
  172    HB3  GLU 698           HB3      GLU 698  -5.710  18.270  -0.597
  173    HG2  GLU 698           HG2      GLU 698  -4.439  20.057  -1.527
  174    HG3  GLU 698           HG3      GLU 698  -3.952  18.561  -2.302
  175    H    LEU 699           H        LEU 699  -5.536  15.554  -0.821
  176    HA   LEU 699           HA       LEU 699  -3.195  14.848  -2.364
  177    HB2  LEU 699           HB2      LEU 699  -4.743  13.627  -0.088
  178    HB3  LEU 699           HB3      LEU 699  -3.489  12.702  -0.862
  179    HG   LEU 699           HG       LEU 699  -3.139  14.192   1.350
  180   HD11  LEU 699          HD11      LEU 699  -1.572  12.586   0.640
  181   HD12  LEU 699          HD12      LEU 699  -1.046  13.589  -0.742
  182   HD13  LEU 699          HD13      LEU 699  -0.702  14.093   0.933
  183   HD21  LEU 699          HD21      LEU 699  -2.065  16.040  -0.830
  184   HD22  LEU 699          HD22      LEU 699  -3.445  16.400   0.229
  185   HD23  LEU 699          HD23      LEU 699  -1.831  16.199   0.918
  186    H    LEU 700           H        LEU 700  -6.514  13.450  -2.285
  187    HA   LEU 700           HA       LEU 700  -5.802  11.371  -4.171
  188    HB2  LEU 700           HB2      LEU 700  -8.434  12.606  -3.298
  189    HB3  LEU 700           HB3      LEU 700  -8.374  11.384  -4.567
  190    HG   LEU 700           HG       LEU 700  -7.143  10.892  -1.826
  191   HD11  LEU 700          HD11      LEU 700  -9.977  10.223  -2.734
  192   HD12  LEU 700          HD12      LEU 700  -9.207   9.702  -1.210
  193   HD13  LEU 700          HD13      LEU 700  -9.516  11.421  -1.502
  194   HD21  LEU 700          HD21      LEU 700  -8.198   8.933  -3.926
  195   HD22  LEU 700          HD22      LEU 700  -6.494   9.336  -3.714
  196   HD23  LEU 700          HD23      LEU 700  -7.367   8.532  -2.404
  197    H    ALA 701           H        ALA 701  -7.037  14.733  -4.543
  198    HA   ALA 701           HA       ALA 701  -7.314  14.608  -7.378
  199    HB1  ALA 701           HB1      ALA 701  -7.248  17.052  -7.285
  200    HB2  ALA 701           HB2      ALA 701  -8.269  16.424  -5.971
  201    HB3  ALA 701           HB3      ALA 701  -6.631  17.014  -5.625
  202    H    GLU 702           H        GLU 702  -4.520  15.421  -5.261
  203    HA   GLU 702           HA       GLU 702  -2.726  16.073  -7.293
  204    HB2  GLU 702           HB2      GLU 702  -2.416  16.438  -4.810
  205    HB3  GLU 702           HB3      GLU 702  -2.025  14.721  -4.661
  206    HG2  GLU 702           HG2      GLU 702   0.039  15.963  -4.782
  207    HG3  GLU 702           HG3      GLU 702  -0.129  15.046  -6.278
  208    H    TRP 703           H        TRP 703  -3.175  12.925  -5.626
  209    HA   TRP 703           HA       TRP 703  -1.550  11.433  -7.455
  210    HB2  TRP 703           HB2      TRP 703  -3.793  10.570  -5.584
  211    HB3  TRP 703           HB3      TRP 703  -2.584   9.481  -6.266
  212    HD1  TRP 703           HD1      TRP 703  -0.044  11.457  -5.494
  213    HE1  TRP 703           HE1      TRP 703   0.676  11.544  -3.044
  214    HE3  TRP 703           HE3      TRP 703  -4.356   9.822  -3.377
  215    HZ2  TRP 703           HZ2      TRP 703  -0.473  10.832  -0.445
  216    HZ3  TRP 703           HZ3      TRP 703  -4.580   9.627  -0.921
  217    HH2  TRP 703           HH2      TRP 703  -2.633  10.083   0.541
  218    H    LYS 704           H        LYS 704  -4.596  12.836  -8.097
  219    HA   LYS 704           HA       LYS 704  -4.730  11.061 -10.472
  220    HB2  LYS 704           HB2      LYS 704  -6.685  11.192  -8.651
  221    HB3  LYS 704           HB3      LYS 704  -7.113  12.643  -9.542
  222    HG2  LYS 704           HG2      LYS 704  -8.437  10.846 -10.346
  223    HG3  LYS 704           HG3      LYS 704  -7.299  11.207 -11.636
  224    HD2  LYS 704           HD2      LYS 704  -6.799   8.976  -9.608
  225    HD3  LYS 704           HD3      LYS 704  -7.815   8.742 -11.026
  226    HE2  LYS 704           HE2      LYS 704  -6.047   8.305 -12.305
  227    HE3  LYS 704           HE3      LYS 704  -5.456   9.937 -12.032
  228    HZ1  LYS 704           HZ1      LYS 704  -4.278   9.113 -10.066
  229    HZ2  LYS 704           HZ2      LYS 704  -4.690   7.544 -10.476
  230    HZ3  LYS 704           HZ3      LYS 704  -3.801   8.510 -11.455
  231    H    ARG 705           H        ARG 705  -3.572  14.019  -9.719
  232    HA   ARG 705           HA       ARG 705  -3.973  14.843 -12.560
  233    HB2  ARG 705           HB2      ARG 705  -3.735  17.110 -11.968
  234    HB3  ARG 705           HB3      ARG 705  -4.878  16.403 -10.828
  235    HG2  ARG 705           HG2      ARG 705  -2.718  16.163  -9.319
  236    HG3  ARG 705           HG3      ARG 705  -2.060  17.413 -10.366
  237    HD2  ARG 705           HD2      ARG 705  -3.970  18.894  -9.820
  238    HD3  ARG 705           HD3      ARG 705  -4.691  17.609  -8.836
  239    HE   ARG 705           HE       ARG 705  -2.009  18.268  -7.969
  240   HH11  ARG 705          HH11      ARG 705  -5.463  19.093  -7.531
  241   HH12  ARG 705          HH12      ARG 705  -5.216  19.695  -5.919
  242   HH21  ARG 705          HH21      ARG 705  -1.755  19.201  -5.858
  243   HH22  ARG 705          HH22      ARG 705  -3.115  20.038  -5.113
  244    H    THR 706           H        THR 706  -1.917  13.008 -11.045
  245    HA   THR 706           HA       THR 706   0.523  14.146 -12.323
  246    HB   THR 706           HB       THR 706   1.695  13.010 -10.345
  247    HG1  THR 706           HG1      THR 706  -0.756  13.238  -9.014
  248   HG21  THR 706          HG21      THR 706   1.250  14.882  -8.781
  249   HG22  THR 706          HG22      THR 706   1.446  15.463 -10.447
  250   HG23  THR 706          HG23      THR 706  -0.170  15.357  -9.733
  251    H    GLY 707           H        GLY 707  -1.700  11.607 -12.311
  252    HA2  GLY 707           HA2      GLY 707  -0.780   9.818 -14.098
  253    HA3  GLY 707           HA3      GLY 707  -0.082   9.303 -12.527
  Start of MODEL   11
    1    H1   GLY  -3           H1       GLY  -3   0.907   2.614   4.973
    2    H2   GLY  -3           H2       GLY  -3   1.972   3.347   3.959
    3    H3   GLY  -3           H3       GLY  -3   0.363   3.666   3.834
    4    HA2  GLY  -3           HA2      GLY  -3   0.999   2.264   2.061
    5    HA3  GLY  -3           HA3      GLY  -3   1.654   1.111   3.246
    6    H    HIS  -2           H        HIS  -2   0.290  -0.595   2.732
    7    HA   HIS  -2           HA       HIS  -2  -1.349  -2.015   3.127
    8    HB2  HIS  -2           HB2      HIS  -2  -2.774   0.073   4.787
    9    HB3  HIS  -2           HB3      HIS  -2  -2.968  -1.669   4.843
   10    HD1  HIS  -2           HD1      HIS  -2  -1.690   0.454   7.289
   11    HD2  HIS  -2           HD2      HIS  -2   0.141  -2.528   4.901
   12    HE1  HIS  -2           HE1      HIS  -2   0.437  -0.205   8.441
   13    H    MET  -1           H        MET  -1  -2.971   1.138   2.445
   14    HA   MET  -1           HA       MET  -1  -3.859   0.026  -0.090
   15    HB2  MET  -1           HB2      MET  -1  -6.240   0.563   0.174
   16    HB3  MET  -1           HB3      MET  -1  -5.740  -0.737   1.250
   17    HG2  MET  -1           HG2      MET  -1  -5.795   0.627   3.157
   18    HG3  MET  -1           HG3      MET  -1  -5.823   2.128   2.221
   19    HE1  MET  -1           HE1      MET  -1  -7.803   3.305   1.282
   20    HE2  MET  -1           HE2      MET  -1  -8.047   1.984   0.123
   21    HE3  MET  -1           HE3      MET  -1  -9.419   2.592   1.072
   22    H    PHE 679           H        PHE 679  -2.178   2.202   1.184
   23    HA   PHE 679           HA       PHE 679  -2.990   4.452  -0.524
   24    HB2  PHE 679           HB2      PHE 679  -2.576   4.448   2.495
   25    HB3  PHE 679           HB3      PHE 679  -1.987   5.800   1.566
   26    HD1  PHE 679           HD2      PHE 679  -3.430   7.415   0.492
   27    HD2  PHE 679           HD1      PHE 679  -5.015   4.119   2.760
   28    HE1  PHE 679           HE2      PHE 679  -5.706   8.357   0.278
   29    HE2  PHE 679           HE1      PHE 679  -7.267   5.198   2.748
   30    HZ   PHE 679           HZ       PHE 679  -7.633   7.245   1.391
   31    HA   PRO 680           HA       PRO 680   1.426   4.680  -1.513
   32    HB2  PRO 680           HB2      PRO 680   1.385   7.183   0.202
   33    HB3  PRO 680           HB3      PRO 680   2.349   6.878  -1.282
   34    HG2  PRO 680           HG2      PRO 680  -0.012   8.186  -1.440
   35    HG3  PRO 680           HG3      PRO 680   0.386   6.940  -2.655
   36    HD2  PRO 680           HD2      PRO 680  -1.550   6.784  -0.386
   37    HD3  PRO 680           HD3      PRO 680  -1.565   5.953  -1.956
   38    H    SER 681           H        SER 681   3.464   4.215  -0.645
   39    HA   SER 681           HA       SER 681   3.471   2.321   1.205
   40    HB2  SER 681           HB2      SER 681   5.874   4.114   0.728
   41    HB3  SER 681           HB3      SER 681   5.872   2.370   1.037
   42    HG   SER 681           HG       SER 681   6.128   2.985  -1.212
   43    H    ASP 682           H        ASP 682   4.089   5.704   1.997
   44    HA   ASP 682           HA       ASP 682   4.818   5.290   4.743
   45    HB2  ASP 682           HB2      ASP 682   4.653   7.769   4.774
   46    HB3  ASP 682           HB3      ASP 682   5.694   7.147   3.494
   47    H    ILE 683           H        ILE 683   2.033   7.237   3.635
   48    HA   ILE 683           HA       ILE 683   0.773   7.342   6.063
   49    HB   ILE 683           HB       ILE 683  -1.367   7.733   4.582
   50   HG12  ILE 683          HG12      ILE 683   0.805   8.053   2.497
   51   HG13  ILE 683          HG13      ILE 683  -0.330   6.714   2.586
   52   HG21  ILE 683          HG21      ILE 683   0.888   9.724   4.328
   53   HG22  ILE 683          HG22      ILE 683  -0.868  10.015   4.278
   54   HG23  ILE 683          HG23      ILE 683  -0.106   9.510   5.796
   55   HD11  ILE 683          HD11      ILE 683  -1.028   9.659   2.128
   56   HD12  ILE 683          HD12      ILE 683  -1.018   8.376   0.929
   57   HD13  ILE 683          HD13      ILE 683  -2.197   8.323   2.258
   58    H    ASP 684           H        ASP 684  -0.084   5.894   7.347
   59    HA   ASP 684           HA       ASP 684  -1.236   3.374   6.423
   60    HB2  ASP 684           HB2      ASP 684  -0.281   3.584   8.684
   61    HB3  ASP 684           HB3      ASP 684  -1.431   4.872   9.067
   62    HA   PRO 685           HA       PRO 685  -5.009   5.239   5.060
   63    HB2  PRO 685           HB2      PRO 685  -6.602   2.986   6.243
   64    HB3  PRO 685           HB3      PRO 685  -6.555   3.549   4.555
   65    HG2  PRO 685           HG2      PRO 685  -5.301   1.252   5.300
   66    HG3  PRO 685           HG3      PRO 685  -4.496   2.377   4.152
   67    HD2  PRO 685           HD2      PRO 685  -4.157   2.202   7.144
   68    HD3  PRO 685           HD3      PRO 685  -2.873   2.173   5.872
   69    H    GLN 686           H        GLN 686  -4.859   4.119   8.476
   70    HA   GLN 686           HA       GLN 686  -7.245   5.490   9.262
   71    HB2  GLN 686           HB2      GLN 686  -4.854   4.652  10.948
   72    HB3  GLN 686           HB3      GLN 686  -6.425   5.129  11.569
   73    HG2  GLN 686           HG2      GLN 686  -7.518   3.186  10.679
   74    HG3  GLN 686           HG3      GLN 686  -6.141   2.760   9.667
   75   HE21  GLN 686          HE22      GLN 686  -4.006   2.392  10.910
   76   HE22  GLN 686          HE21      GLN 686  -4.181   1.384  12.360
   77    H    VAL 687           H        VAL 687  -3.755   6.269   9.278
   78    HA   VAL 687           HA       VAL 687  -3.941   8.913  10.359
   79    HB   VAL 687           HB       VAL 687  -1.860   7.781   8.376
   80   HG11  VAL 687          HG11      VAL 687  -0.358   9.485   9.412
   81   HG12  VAL 687          HG12      VAL 687  -1.709  10.218   8.540
   82   HG13  VAL 687          HG13      VAL 687  -1.749  10.143  10.315
   83   HG21  VAL 687          HG21      VAL 687  -0.518   7.270  10.408
   84   HG22  VAL 687          HG22      VAL 687  -1.809   7.905  11.453
   85   HG23  VAL 687          HG23      VAL 687  -2.061   6.419  10.529
   86    H    PHE 688           H        PHE 688  -4.149   7.615   6.996
   87    HA   PHE 688           HA       PHE 688  -4.128  10.153   5.785
   88    HB2  PHE 688           HB2      PHE 688  -3.832   8.026   4.520
   89    HB3  PHE 688           HB3      PHE 688  -5.559   7.684   4.733
   90    HD1  PHE 688           HD1      PHE 688  -3.138  10.187   3.401
   91    HD2  PHE 688           HD2      PHE 688  -7.226   8.839   3.392
   92    HE1  PHE 688           HE1      PHE 688  -3.656  11.783   1.586
   93    HE2  PHE 688           HE2      PHE 688  -7.736  10.411   1.533
   94    HZ   PHE 688           HZ       PHE 688  -5.934  11.892   0.632
   95    H    TYR 689           H        TYR 689  -6.925   8.302   7.095
   96    HA   TYR 689           HA       TYR 689  -8.753  10.384   6.145
   97    HB2  TYR 689           HB2      TYR 689  -9.092   7.856   7.746
   98    HB3  TYR 689           HB3      TYR 689 -10.420   8.987   7.434
   99    HD1  TYR 689           HD1      TYR 689 -10.658   9.708   4.869
  100    HD2  TYR 689           HD2      TYR 689  -8.949   6.014   6.247
  101    HE1  TYR 689           HE1      TYR 689 -10.995   8.742   2.629
  102    HE2  TYR 689           HE2      TYR 689  -9.322   5.002   4.018
  103    HH   TYR 689           HH       TYR 689 -10.771   6.835   1.306
  104    H    GLU 690           H        GLU 690  -6.830   9.911   9.030
  105    HA   GLU 690           HA       GLU 690  -8.331  11.748  10.679
  106    HB2  GLU 690           HB2      GLU 690  -6.720  10.054  11.518
  107    HB3  GLU 690           HB3      GLU 690  -5.398  10.919  10.734
  108    HG2  GLU 690           HG2      GLU 690  -5.720  12.852  12.186
  109    HG3  GLU 690           HG3      GLU 690  -7.187  12.131  12.867
  110    H    LEU 691           H        LEU 691  -6.135  12.113   7.970
  111    HA   LEU 691           HA       LEU 691  -5.414  14.827   8.367
  112    HB2  LEU 691           HB2      LEU 691  -6.014  13.404   5.750
  113    HB3  LEU 691           HB3      LEU 691  -5.206  14.953   5.883
  114    HG   LEU 691           HG       LEU 691  -4.112  12.301   6.894
  115   HD11  LEU 691          HD11      LEU 691  -2.465  12.513   5.144
  116   HD12  LEU 691          HD12      LEU 691  -4.092  12.615   4.439
  117   HD13  LEU 691          HD13      LEU 691  -3.123  14.093   4.649
  118   HD21  LEU 691          HD21      LEU 691  -2.893  15.091   7.035
  119   HD22  LEU 691          HD22      LEU 691  -3.335  14.036   8.404
  120   HD23  LEU 691          HD23      LEU 691  -2.015  13.574   7.341
  121    HA   PRO 692           HA       PRO 692  -9.238  16.991   8.039
  122    HB2  PRO 692           HB2      PRO 692  -7.902  18.935   6.162
  123    HB3  PRO 692           HB3      PRO 692  -8.806  19.268   7.668
  124    HG2  PRO 692           HG2      PRO 692  -6.088  19.391   7.611
  125    HG3  PRO 692           HG3      PRO 692  -6.944  18.673   9.018
  126    HD2  PRO 692           HD2      PRO 692  -5.648  17.240   6.683
  127    HD3  PRO 692           HD3      PRO 692  -5.549  16.876   8.446
  128    H    GLU 693           H        GLU 693 -11.008  17.048   6.663
  129    HA   GLU 693           HA       GLU 693 -11.182  15.347   4.590
  130    HB2  GLU 693           HB2      GLU 693 -13.088  16.375   5.820
  131    HB3  GLU 693           HB3      GLU 693 -12.764  17.922   5.056
  132    HG2  GLU 693           HG2      GLU 693 -14.709  16.897   4.049
  133    HG3  GLU 693           HG3      GLU 693 -13.418  17.019   2.858
  134    H    ALA 694           H        ALA 694 -10.628  18.848   4.143
  135    HA   ALA 694           HA       ALA 694 -10.493  18.589   1.325
  136    HB1  ALA 694           HB1      ALA 694 -11.043  20.694   2.460
  137    HB2  ALA 694           HB2      ALA 694  -9.390  20.765   3.146
  138    HB3  ALA 694           HB3      ALA 694  -9.641  20.905   1.383
  139    H    VAL 695           H        VAL 695  -8.036  17.926   3.716
  140    HA   VAL 695           HA       VAL 695  -5.865  18.188   1.807
  141    HB   VAL 695           HB       VAL 695  -6.019  16.929   4.565
  142   HG11  VAL 695          HG11      VAL 695  -3.558  16.748   4.504
  143   HG12  VAL 695          HG12      VAL 695  -4.316  15.708   3.291
  144   HG13  VAL 695          HG13      VAL 695  -3.572  17.236   2.793
  145   HG21  VAL 695          HG21      VAL 695  -4.605  18.849   5.230
  146   HG22  VAL 695          HG22      VAL 695  -4.651  19.465   3.569
  147   HG23  VAL 695          HG23      VAL 695  -6.135  19.405   4.540
  148    H    GLN 696           H        GLN 696  -8.170  15.713   2.965
  149    HA   GLN 696           HA       GLN 696  -6.732  13.461   1.869
  150    HB2  GLN 696           HB2      GLN 696  -9.713  13.868   2.357
  151    HB3  GLN 696           HB3      GLN 696  -8.969  12.337   1.942
  152    HG2  GLN 696           HG2      GLN 696  -7.877  12.224   4.084
  153    HG3  GLN 696           HG3      GLN 696  -8.343  13.881   4.486
  154   HE21  GLN 696          HE22      GLN 696  -9.552  13.138   6.409
  155   HE22  GLN 696          HE21      GLN 696 -11.120  12.408   6.179
  156    H    LYS 697           H        LYS 697  -9.369  15.579   0.873
  157    HA   LYS 697           HA       LYS 697  -9.883  14.472  -1.700
  158    HB2  LYS 697           HB2      LYS 697 -10.515  16.963  -0.181
  159    HB3  LYS 697           HB3      LYS 697 -10.624  17.071  -1.941
  160    HG2  LYS 697           HG2      LYS 697 -12.771  16.523  -1.279
  161    HG3  LYS 697           HG3      LYS 697 -12.135  15.021  -1.929
  162    HD2  LYS 697           HD2      LYS 697 -12.296  15.719   1.023
  163    HD3  LYS 697           HD3      LYS 697 -13.580  14.922   0.130
  164    HE2  LYS 697           HE2      LYS 697 -12.162  12.969  -0.319
  165    HE3  LYS 697           HE3      LYS 697 -10.829  13.714   0.581
  166    HZ1  LYS 697           HZ1      LYS 697 -12.249  13.650   2.583
  167    HZ2  LYS 697           HZ2      LYS 697 -13.464  13.123   1.807
  168    HZ3  LYS 697           HZ3      LYS 697 -12.097  12.159   2.029
  169    H    GLU 698           H        GLU 698  -7.746  17.254  -0.721
  170    HA   GLU 698           HA       GLU 698  -6.890  17.800  -3.350
  171    HB2  GLU 698           HB2      GLU 698  -6.702  19.401  -1.529
  172    HB3  GLU 698           HB3      GLU 698  -5.639  18.319  -0.633
  173    HG2  GLU 698           HG2      GLU 698  -4.341  20.091  -1.554
  174    HG3  GLU 698           HG3      GLU 698  -3.873  18.592  -2.327
  175    H    LEU 699           H        LEU 699  -5.473  15.593  -0.872
  176    HA   LEU 699           HA       LEU 699  -3.183  14.805  -2.440
  177    HB2  LEU 699           HB2      LEU 699  -4.777  13.614  -0.168
  178    HB3  LEU 699           HB3      LEU 699  -3.568  12.645  -0.963
  179    HG   LEU 699           HG       LEU 699  -3.123  14.063   1.258
  180   HD11  LEU 699          HD11      LEU 699  -1.079  13.514  -0.906
  181   HD12  LEU 699          HD12      LEU 699  -0.689  13.917   0.786
  182   HD13  LEU 699          HD13      LEU 699  -1.592  12.445   0.421
  183   HD21  LEU 699          HD21      LEU 699  -1.779  16.057   0.890
  184   HD22  LEU 699          HD22      LEU 699  -2.030  15.962  -0.864
  185   HD23  LEU 699          HD23      LEU 699  -3.387  16.319   0.217
  186    H    LEU 700           H        LEU 700  -6.552  13.555  -2.372
  187    HA   LEU 700           HA       LEU 700  -5.958  11.448  -4.267
  188    HB2  LEU 700           HB2      LEU 700  -8.523  12.801  -3.368
  189    HB3  LEU 700           HB3      LEU 700  -8.525  11.557  -4.614
  190    HG   LEU 700           HG       LEU 700  -7.317  11.059  -1.862
  191   HD11  LEU 700          HD11      LEU 700 -10.168  10.475  -2.768
  192   HD12  LEU 700          HD12      LEU 700  -9.422   9.980  -1.225
  193   HD13  LEU 700          HD13      LEU 700  -9.674  11.700  -1.573
  194   HD21  LEU 700          HD21      LEU 700  -6.691   9.464  -3.686
  195   HD22  LEU 700          HD22      LEU 700  -7.654   8.698  -2.426
  196   HD23  LEU 700          HD23      LEU 700  -8.406   9.138  -3.976
  197    H    ALA 701           H        ALA 701  -7.029  14.862  -4.605
  198    HA   ALA 701           HA       ALA 701  -7.356  14.750  -7.452
  199    HB1  ALA 701           HB1      ALA 701  -7.266  17.191  -7.346
  200    HB2  ALA 701           HB2      ALA 701  -8.270  16.575  -6.020
  201    HB3  ALA 701           HB3      ALA 701  -6.612  17.140  -5.698
  202    H    GLU 702           H        GLU 702  -4.564  15.433  -5.320
  203    HA   GLU 702           HA       GLU 702  -2.728  16.125  -7.308
  204    HB2  GLU 702           HB2      GLU 702  -2.431  16.443  -4.825
  205    HB3  GLU 702           HB3      GLU 702  -2.119  14.716  -4.672
  206    HG2  GLU 702           HG2      GLU 702  -0.009  15.867  -4.732
  207    HG3  GLU 702           HG3      GLU 702  -0.166  14.978  -6.248
  208    H    TRP 703           H        TRP 703  -3.263  12.931  -5.722
  209    HA   TRP 703           HA       TRP 703  -1.650  11.479  -7.581
  210    HB2  TRP 703           HB2      TRP 703  -3.941  10.637  -5.750
  211    HB3  TRP 703           HB3      TRP 703  -2.814   9.504  -6.508
  212    HD1  TRP 703           HD1      TRP 703  -0.144  11.295  -5.762
  213    HE1  TRP 703           HE1      TRP 703   0.675  11.226  -3.335
  214    HE3  TRP 703           HE3      TRP 703  -4.468   9.820  -3.531
  215    HZ2  TRP 703           HZ2      TRP 703  -0.456  10.632  -0.707
  216    HZ3  TRP 703           HZ3      TRP 703  -4.622   9.610  -1.065
  217    HH2  TRP 703           HH2      TRP 703  -2.626   9.999   0.340
  218    H    LYS 704           H        LYS 704  -4.753  12.893  -8.121
  219    HA   LYS 704           HA       LYS 704  -4.952  11.217 -10.536
  220    HB2  LYS 704           HB2      LYS 704  -6.917  11.341  -8.924
  221    HB3  LYS 704           HB3      LYS 704  -7.088  13.028  -9.373
  222    HG2  LYS 704           HG2      LYS 704  -8.740  11.802 -10.507
  223    HG3  LYS 704           HG3      LYS 704  -7.610  12.281 -11.737
  224    HD2  LYS 704           HD2      LYS 704  -7.931   9.528 -10.478
  225    HD3  LYS 704           HD3      LYS 704  -8.450  10.013 -12.084
  226    HE2  LYS 704           HE2      LYS 704  -5.602   9.589 -11.114
  227    HE3  LYS 704           HE3      LYS 704  -6.480   8.621 -12.280
  228    HZ1  LYS 704           HZ1      LYS 704  -4.839  10.152 -13.176
  229    HZ2  LYS 704           HZ2      LYS 704  -6.320  10.434 -13.859
  230    HZ3  LYS 704           HZ3      LYS 704  -5.625  11.431 -12.702
  231    H    ARG 705           H        ARG 705  -3.591  14.131  -9.732
  232    HA   ARG 705           HA       ARG 705  -3.715  14.909 -12.612
  233    HB2  ARG 705           HB2      ARG 705  -3.371  17.172 -12.047
  234    HB3  ARG 705           HB3      ARG 705  -4.647  16.574 -10.980
  235    HG2  ARG 705           HG2      ARG 705  -2.578  16.218  -9.341
  236    HG3  ARG 705           HG3      ARG 705  -1.833  17.448 -10.346
  237    HD2  ARG 705           HD2      ARG 705  -3.726  18.985  -9.890
  238    HD3  ARG 705           HD3      ARG 705  -4.533  17.708  -8.950
  239    HE   ARG 705           HE       ARG 705  -1.870  18.278  -7.971
  240   HH11  ARG 705          HH11      ARG 705  -5.318  19.110  -7.589
  241   HH12  ARG 705          HH12      ARG 705  -5.092  19.711  -5.968
  242   HH21  ARG 705          HH22      ARG 705  -1.639  19.156  -5.854
  243   HH22  ARG 705          HH21      ARG 705  -3.000  20.007  -5.119
  244    H    THR 706           H        THR 706  -1.734  13.389 -10.394
  245    HA   THR 706           HA       THR 706   0.686  13.980 -12.031
  246    HB   THR 706           HB       THR 706   1.915  13.127  -9.992
  247    HG1  THR 706           HG1      THR 706  -0.552  13.518  -8.675
  248   HG21  THR 706          HG21      THR 706   1.747  15.541 -10.433
  249   HG22  THR 706          HG22      THR 706   0.151  15.611  -9.664
  250   HG23  THR 706          HG23      THR 706   1.585  15.248  -8.688
  251    H    GLY 707           H        GLY 707  -1.752  11.812 -11.560
  252    HA2  GLY 707           HA2      GLY 707  -0.698   9.836 -13.287
  253    HA3  GLY 707           HA3      GLY 707  -1.087   9.199 -11.653
  Start of MODEL   12
    1    H1   GLY  -3           H1       GLY  -3  -1.581   9.465 -10.032
    2    H2   GLY  -3           H2       GLY  -3  -0.649   8.770 -11.216
    3    H3   GLY  -3           H3       GLY  -3  -2.046   9.549 -11.604
    4    HA2  GLY  -3           HA2      GLY  -3  -3.377   7.978 -10.469
    5    HA3  GLY  -3           HA3      GLY  -3  -2.401   7.230 -11.749
    6    H    HIS  -2           H        HIS  -2  -2.916   7.499  -8.250
    7    HA   HIS  -2           HA       HIS  -2  -1.524   5.013  -7.884
    8    HB2  HIS  -2           HB2      HIS  -2   0.272   6.934  -7.706
    9    HB3  HIS  -2           HB3      HIS  -2  -0.500   7.294  -6.159
   10    HD1  HIS  -2           HD1      HIS  -2   0.194   5.658  -4.171
   11    HD2  HIS  -2           HD2      HIS  -2   1.234   4.312  -8.023
   12    HE1  HIS  -2           HE1      HIS  -2   1.573   3.528  -3.851
   13    H    MET  -1           H        MET  -1  -1.581   4.666  -5.328
   14    HA   MET  -1           HA       MET  -1  -4.147   5.631  -4.172
   15    HB2  MET  -1           HB2      MET  -1  -4.259   3.256  -4.852
   16    HB3  MET  -1           HB3      MET  -1  -2.802   2.896  -3.922
   17    HG2  MET  -1           HG2      MET  -1  -5.025   2.200  -2.930
   18    HG3  MET  -1           HG3      MET  -1  -3.931   3.072  -1.871
   19    HE1  MET  -1           HE1      MET  -1  -7.318   4.317  -0.438
   20    HE2  MET  -1           HE2      MET  -1  -6.960   2.677  -1.030
   21    HE3  MET  -1           HE3      MET  -1  -5.739   3.579  -0.098
   22    H    PHE 679           H        PHE 679  -3.629   4.904  -1.532
   23    HA   PHE 679           HA       PHE 679  -1.820   6.671  -0.432
   24    HB2  PHE 679           HB2      PHE 679  -2.685   3.950   0.573
   25    HB3  PHE 679           HB3      PHE 679  -1.801   5.099   1.545
   26    HD1  PHE 679           HD2      PHE 679  -3.557   7.548   0.181
   27    HD2  PHE 679           HD1      PHE 679  -4.333   4.042   2.539
   28    HE1  PHE 679           HE2      PHE 679  -5.784   8.390   0.674
   29    HE2  PHE 679           HE1      PHE 679  -6.606   4.979   3.113
   30    HZ   PHE 679           HZ       PHE 679  -7.355   7.068   2.094
   31    HA   PRO 680           HA       PRO 680   1.900   5.165  -2.291
   32    HB2  PRO 680           HB2      PRO 680   3.129   6.979  -0.206
   33    HB3  PRO 680           HB3      PRO 680   3.567   6.792  -1.936
   34    HG2  PRO 680           HG2      PRO 680   2.024   8.862  -1.130
   35    HG3  PRO 680           HG3      PRO 680   1.627   7.967  -2.635
   36    HD2  PRO 680           HD2      PRO 680   0.331   7.759   0.073
   37    HD3  PRO 680           HD3      PRO 680  -0.380   7.690  -1.557
   38    H    SER 681           H        SER 681   1.586   5.118   1.202
   39    HA   SER 681           HA       SER 681   1.987   3.191   2.567
   40    HB2  SER 681           HB2      SER 681   4.688   2.927   1.205
   41    HB3  SER 681           HB3      SER 681   4.082   1.970   2.565
   42    HG   SER 681           HG       SER 681   3.158   2.068  -0.081
   43    H    ASP 682           H        ASP 682   3.169   6.182   1.833
   44    HA   ASP 682           HA       ASP 682   4.935   6.730   4.067
   45    HB2  ASP 682           HB2      ASP 682   4.572   9.052   3.351
   46    HB3  ASP 682           HB3      ASP 682   4.982   8.046   1.968
   47    H    ILE 683           H        ILE 683   1.571   6.230   3.575
   48    HA   ILE 683           HA       ILE 683   0.837   7.289   6.227
   49    HB   ILE 683           HB       ILE 683  -1.360   7.769   5.110
   50   HG12  ILE 683          HG12      ILE 683  -0.006   6.899   2.575
   51   HG13  ILE 683          HG13      ILE 683  -1.482   6.320   3.322
   52   HG21  ILE 683          HG21      ILE 683   0.592   9.479   5.357
   53   HG22  ILE 683          HG22      ILE 683   0.782   9.260   3.593
   54   HG23  ILE 683          HG23      ILE 683  -0.747   9.871   4.261
   55   HD11  ILE 683          HD11      ILE 683  -2.675   8.272   2.778
   56   HD12  ILE 683          HD12      ILE 683  -1.224   9.165   2.249
   57   HD13  ILE 683          HD13      ILE 683  -1.763   7.796   1.331
   58    H    ASP 684           H        ASP 684  -0.664   6.179   7.295
   59    HA   ASP 684           HA       ASP 684  -1.277   3.379   6.515
   60    HB2  ASP 684           HB2      ASP 684  -0.473   3.453   8.760
   61    HB3  ASP 684           HB3      ASP 684  -1.332   4.958   9.109
   62    HA   PRO 685           HA       PRO 685  -5.005   5.047   4.897
   63    HB2  PRO 685           HB2      PRO 685  -6.570   2.775   6.127
   64    HB3  PRO 685           HB3      PRO 685  -6.510   3.266   4.420
   65    HG2  PRO 685           HG2      PRO 685  -5.175   1.069   5.249
   66    HG3  PRO 685           HG3      PRO 685  -4.376   2.212   4.115
   67    HD2  PRO 685           HD2      PRO 685  -4.180   2.140   7.134
   68    HD3  PRO 685           HD3      PRO 685  -2.821   2.117   5.949
   69    H    GLN 686           H        GLN 686  -5.220   3.965   8.307
   70    HA   GLN 686           HA       GLN 686  -7.673   5.391   8.779
   71    HB2  GLN 686           HB2      GLN 686  -5.638   4.237  10.746
   72    HB3  GLN 686           HB3      GLN 686  -7.145   4.999  11.197
   73    HG2  GLN 686           HG2      GLN 686  -7.418   2.622  11.268
   74    HG3  GLN 686           HG3      GLN 686  -8.450   3.304  10.016
   75   HE21  GLN 686          HE22      GLN 686  -4.861   2.382   9.788
   76   HE22  GLN 686          HE21      GLN 686  -5.176   1.080   8.705
   77    H    VAL 687           H        VAL 687  -4.183   5.974   9.286
   78    HA   VAL 687           HA       VAL 687  -4.478   8.504  10.633
   79    HB   VAL 687           HB       VAL 687  -2.163   7.521   8.896
   80   HG11  VAL 687          HG11      VAL 687  -2.262   9.627  11.119
   81   HG12  VAL 687          HG12      VAL 687  -0.786   9.048  10.308
   82   HG13  VAL 687          HG13      VAL 687  -2.003   9.939   9.391
   83   HG21  VAL 687          HG21      VAL 687  -2.672   5.927  10.784
   84   HG22  VAL 687          HG22      VAL 687  -1.141   6.761  11.040
   85   HG23  VAL 687          HG23      VAL 687  -2.597   7.275  11.926
   86    H    PHE 688           H        PHE 688  -4.180   7.578   7.148
   87    HA   PHE 688           HA       PHE 688  -4.159  10.195   6.132
   88    HB2  PHE 688           HB2      PHE 688  -3.765   8.187   4.760
   89    HB3  PHE 688           HB3      PHE 688  -5.465   7.739   4.898
   90    HD1  PHE 688           HD1      PHE 688  -3.159  10.381   3.661
   91    HD2  PHE 688           HD2      PHE 688  -7.197   8.887   3.623
   92    HE1  PHE 688           HE1      PHE 688  -3.698  11.894   1.801
   93    HE2  PHE 688           HE2      PHE 688  -7.732  10.409   1.721
   94    HZ   PHE 688           HZ       PHE 688  -5.952  11.896   0.797
   95    H    TYR 689           H        TYR 689  -6.983   8.215   7.194
   96    HA   TYR 689           HA       TYR 689  -8.801  10.295   6.211
   97    HB2  TYR 689           HB2      TYR 689  -9.153   7.695   7.690
   98    HB3  TYR 689           HB3      TYR 689 -10.493   8.819   7.427
   99    HD1  TYR 689           HD1      TYR 689 -10.619   9.724   4.848
  100    HD2  TYR 689           HD2      TYR 689  -9.050   5.921   6.143
  101    HE1  TYR 689           HE1      TYR 689 -10.991   8.811   2.588
  102    HE2  TYR 689           HE2      TYR 689  -9.429   4.992   3.878
  103    HH   TYR 689           HH       TYR 689 -10.908   6.910   1.248
  104    H    GLU 690           H        GLU 690  -7.048   9.819   9.210
  105    HA   GLU 690           HA       GLU 690  -8.745  11.630  10.731
  106    HB2  GLU 690           HB2      GLU 690  -7.230   9.950  11.752
  107    HB3  GLU 690           HB3      GLU 690  -5.830  10.822  11.114
  108    HG2  GLU 690           HG2      GLU 690  -6.319  12.759  12.499
  109    HG3  GLU 690           HG3      GLU 690  -7.885  12.081  12.971
  110    H    LEU 691           H        LEU 691  -6.420  12.050   8.183
  111    HA   LEU 691           HA       LEU 691  -5.630  14.728   8.723
  112    HB2  LEU 691           HB2      LEU 691  -6.178  13.424   6.034
  113    HB3  LEU 691           HB3      LEU 691  -5.285  14.918   6.270
  114    HG   LEU 691           HG       LEU 691  -4.402  12.152   7.181
  115   HD11  LEU 691          HD11      LEU 691  -3.208  14.032   5.108
  116   HD12  LEU 691          HD12      LEU 691  -2.659  12.394   5.509
  117   HD13  LEU 691          HD13      LEU 691  -4.240  12.633   4.747
  118   HD21  LEU 691          HD21      LEU 691  -2.254  13.217   7.809
  119   HD22  LEU 691          HD22      LEU 691  -2.978  14.824   7.545
  120   HD23  LEU 691          HD23      LEU 691  -3.588  13.746   8.829
  121    HA   PRO 692           HA       PRO 692  -9.371  17.008   8.296
  122    HB2  PRO 692           HB2      PRO 692  -7.989  18.943   6.450
  123    HB3  PRO 692           HB3      PRO 692  -8.872  19.272   7.965
  124    HG2  PRO 692           HG2      PRO 692  -6.139  19.325   7.882
  125    HG3  PRO 692           HG3      PRO 692  -7.014  18.664   9.301
  126    HD2  PRO 692           HD2      PRO 692  -5.752  17.148   7.007
  127    HD3  PRO 692           HD3      PRO 692  -5.703  16.792   8.774
  128    H    GLU 693           H        GLU 693 -11.100  17.112   6.897
  129    HA   GLU 693           HA       GLU 693 -11.531  15.564   4.793
  130    HB2  GLU 693           HB2      GLU 693 -13.255  16.938   5.903
  131    HB3  GLU 693           HB3      GLU 693 -12.544  18.406   5.262
  132    HG2  GLU 693           HG2      GLU 693 -14.574  17.884   4.046
  133    HG3  GLU 693           HG3      GLU 693 -13.189  17.780   2.958
  134    H    ALA 694           H        ALA 694 -10.584  18.980   4.280
  135    HA   ALA 694           HA       ALA 694 -10.345  18.545   1.498
  136    HB1  ALA 694           HB1      ALA 694 -10.839  20.759   2.537
  137    HB2  ALA 694           HB2      ALA 694  -9.213  20.771   3.286
  138    HB3  ALA 694           HB3      ALA 694  -9.390  20.875   1.516
  139    H    VAL 695           H        VAL 695  -7.967  17.918   3.993
  140    HA   VAL 695           HA       VAL 695  -5.731  18.152   2.168
  141    HB   VAL 695           HB       VAL 695  -5.968  16.746   4.850
  142   HG11  VAL 695          HG11      VAL 695  -3.480  16.601   4.786
  143   HG12  VAL 695          HG12      VAL 695  -4.236  15.614   3.522
  144   HG13  VAL 695          HG13      VAL 695  -3.505  17.175   3.106
  145   HG21  VAL 695          HG21      VAL 695  -4.616  19.360   4.027
  146   HG22  VAL 695          HG22      VAL 695  -6.083  19.208   5.015
  147   HG23  VAL 695          HG23      VAL 695  -4.531  18.626   5.640
  148    H    GLN 696           H        GLN 696  -7.967  15.621   3.379
  149    HA   GLN 696           HA       GLN 696  -6.723  13.428   2.121
  150    HB2  GLN 696           HB2      GLN 696  -9.701  13.917   2.474
  151    HB3  GLN 696           HB3      GLN 696  -8.983  12.368   2.104
  152    HG2  GLN 696           HG2      GLN 696  -8.070  12.193   4.316
  153    HG3  GLN 696           HG3      GLN 696  -8.406  13.892   4.669
  154   HE21  GLN 696          HE22      GLN 696  -9.687  13.219   6.541
  155   HE22  GLN 696          HE21      GLN 696 -11.287  12.563   6.328
  156    H    LYS 697           H        LYS 697  -9.194  15.721   1.011
  157    HA   LYS 697           HA       LYS 697  -9.527  14.467  -1.563
  158    HB2  LYS 697           HB2      LYS 697 -10.461  17.097  -0.373
  159    HB3  LYS 697           HB3      LYS 697 -10.690  16.734  -2.085
  160    HG2  LYS 697           HG2      LYS 697 -12.707  16.130  -0.907
  161    HG3  LYS 697           HG3      LYS 697 -11.927  14.674  -1.545
  162    HD2  LYS 697           HD2      LYS 697 -10.990  14.354   0.840
  163    HD3  LYS 697           HD3      LYS 697 -12.106  15.663   1.302
  164    HE2  LYS 697           HE2      LYS 697 -13.950  14.309   0.529
  165    HE3  LYS 697           HE3      LYS 697 -12.835  13.002   0.032
  166    HZ1  LYS 697           HZ1      LYS 697 -13.804  12.561   2.226
  167    HZ2  LYS 697           HZ2      LYS 697 -12.216  12.924   2.521
  168    HZ3  LYS 697           HZ3      LYS 697 -13.405  14.013   2.751
  169    H    GLU 698           H        GLU 698  -7.406  17.142  -0.483
  170    HA   GLU 698           HA       GLU 698  -6.484  17.867  -3.072
  171    HB2  GLU 698           HB2      GLU 698  -6.247  19.310  -1.156
  172    HB3  GLU 698           HB3      GLU 698  -5.374  18.079  -0.244
  173    HG2  GLU 698           HG2      GLU 698  -3.937  19.924  -1.092
  174    HG3  GLU 698           HG3      GLU 698  -3.414  18.306  -1.566
  175    H    LEU 699           H        LEU 699  -5.170  15.556  -0.632
  176    HA   LEU 699           HA       LEU 699  -2.944  14.635  -2.198
  177    HB2  LEU 699           HB2      LEU 699  -4.628  13.575   0.079
  178    HB3  LEU 699           HB3      LEU 699  -3.450  12.537  -0.679
  179    HG   LEU 699           HG       LEU 699  -2.881  13.862   1.500
  180   HD11  LEU 699          HD11      LEU 699  -0.477  13.870   0.877
  181   HD12  LEU 699          HD12      LEU 699  -1.340  12.388   0.465
  182   HD13  LEU 699          HD13      LEU 699  -0.955  13.566  -0.813
  183   HD21  LEU 699          HD21      LEU 699  -2.022  15.971  -0.517
  184   HD22  LEU 699          HD22      LEU 699  -3.324  16.163   0.670
  185   HD23  LEU 699          HD23      LEU 699  -1.659  15.939   1.220
  186    H    LEU 700           H        LEU 700  -6.328  13.438  -2.023
  187    HA   LEU 700           HA       LEU 700  -5.959  11.385  -3.980
  188    HB2  LEU 700           HB2      LEU 700  -8.363  13.007  -3.078
  189    HB3  LEU 700           HB3      LEU 700  -8.503  11.822  -4.370
  190    HG   LEU 700           HG       LEU 700  -7.365  11.079  -1.646
  191   HD11  LEU 700          HD11      LEU 700 -10.267  10.895  -2.563
  192   HD12  LEU 700          HD12      LEU 700  -9.594  10.234  -1.048
  193   HD13  LEU 700          HD13      LEU 700  -9.633  11.986  -1.309
  194   HD21  LEU 700          HD21      LEU 700  -7.990   8.801  -2.316
  195   HD22  LEU 700          HD22      LEU 700  -8.677   9.401  -3.840
  196   HD23  LEU 700          HD23      LEU 700  -6.934   9.498  -3.547
  197    H    ALA 701           H        ALA 701  -6.699  14.894  -4.336
  198    HA   ALA 701           HA       ALA 701  -7.070  14.787  -7.153
  199    HB1  ALA 701           HB1      ALA 701  -7.701  16.749  -5.778
  200    HB2  ALA 701           HB2      ALA 701  -5.983  17.127  -5.536
  201    HB3  ALA 701           HB3      ALA 701  -6.672  17.177  -7.163
  202    H    GLU 702           H        GLU 702  -4.040  15.363  -5.201
  203    HA   GLU 702           HA       GLU 702  -2.354  15.623  -7.447
  204    HB2  GLU 702           HB2      GLU 702  -1.803  16.210  -5.057
  205    HB3  GLU 702           HB3      GLU 702  -1.632  14.504  -4.702
  206    HG2  GLU 702           HG2      GLU 702   0.553  15.603  -5.113
  207    HG3  GLU 702           HG3      GLU 702   0.247  14.304  -6.268
  208    H    TRP 703           H        TRP 703  -3.162  12.672  -5.555
  209    HA   TRP 703           HA       TRP 703  -1.628  10.908  -7.193
  210    HB2  TRP 703           HB2      TRP 703  -4.016  10.446  -5.413
  211    HB3  TRP 703           HB3      TRP 703  -3.040   9.144  -6.130
  212    HD1  TRP 703           HD1      TRP 703  -0.168  10.667  -5.454
  213    HE1  TRP 703           HE1      TRP 703   0.628  10.732  -3.024
  214    HE3  TRP 703           HE3      TRP 703  -4.615   9.767  -3.156
  215    HZ2  TRP 703           HZ2      TRP 703  -0.502  10.299  -0.400
  216    HZ3  TRP 703           HZ3      TRP 703  -4.775   9.762  -0.686
  217    HH2  TRP 703           HH2      TRP 703  -2.720  10.002   0.695
  218    H    LYS 704           H        LYS 704  -4.647  12.513  -7.910
  219    HA   LYS 704           HA       LYS 704  -4.947  10.815 -10.321
  220    HB2  LYS 704           HB2      LYS 704  -6.910  11.332  -8.855
  221    HB3  LYS 704           HB3      LYS 704  -6.678  13.037  -9.187
  222    HG2  LYS 704           HG2      LYS 704  -8.498  12.354 -10.462
  223    HG3  LYS 704           HG3      LYS 704  -7.214  12.611 -11.608
  224    HD2  LYS 704           HD2      LYS 704  -8.116   9.900 -10.527
  225    HD3  LYS 704           HD3      LYS 704  -8.701  10.616 -12.016
  226    HE2  LYS 704           HE2      LYS 704  -5.868   9.641 -11.482
  227    HE3  LYS 704           HE3      LYS 704  -7.078   8.890 -12.510
  228    HZ1  LYS 704           HZ1      LYS 704  -5.458  10.121 -13.747
  229    HZ2  LYS 704           HZ2      LYS 704  -6.915  10.822 -13.991
  230    HZ3  LYS 704           HZ3      LYS 704  -5.755  11.490 -12.988
  231    H    ARG 705           H        ARG 705  -3.565  13.948  -9.462
  232    HA   ARG 705           HA       ARG 705  -3.614  15.092 -12.140
  233    HB2  ARG 705           HB2      ARG 705  -1.675  15.464  -9.803
  234    HB3  ARG 705           HB3      ARG 705  -1.571  16.378 -11.299
  235    HG2  ARG 705           HG2      ARG 705  -3.706  17.445 -10.896
  236    HG3  ARG 705           HG3      ARG 705  -3.998  16.403  -9.508
  237    HD2  ARG 705           HD2      ARG 705  -1.886  17.406  -8.472
  238    HD3  ARG 705           HD3      ARG 705  -1.967  18.639  -9.717
  239    HE   ARG 705           HE       ARG 705  -4.375  18.993  -8.833
  240   HH11  ARG 705          HH11      ARG 705  -1.570  18.219  -6.659
  241   HH12  ARG 705          HH12      ARG 705  -2.456  18.799  -5.274
  242   HH21  ARG 705          HH21      ARG 705  -5.353  19.843  -6.870
  243   HH22  ARG 705          HH22      ARG 705  -4.494  19.685  -5.377
  244    H    THR 706           H        THR 706  -1.422  13.036 -10.320
  245    HA   THR 706           HA       THR 706   0.686  12.927 -12.190
  246    HB   THR 706           HB       THR 706   1.404  11.044 -10.543
  247    HG1  THR 706           HG1      THR 706  -0.681  11.988  -8.940
  248   HG21  THR 706          HG21      THR 706   1.647  12.686  -8.660
  249   HG22  THR 706          HG22      THR 706   2.119  13.361 -10.229
  250   HG23  THR 706          HG23      THR 706   0.560  13.792  -9.523
  251    H    GLY 707           H        GLY 707  -1.917  12.033 -13.445
  252    HA2  GLY 707           HA2      GLY 707  -1.867  10.401 -15.306
  253    HA3  GLY 707           HA3      GLY 707  -1.267   9.186 -14.162
  Start of MODEL   13
    1    H1   GLY  -3           H1       GLY  -3   1.502   1.935   5.557
    2    H2   GLY  -3           H2       GLY  -3   3.014   2.276   4.945
    3    H3   GLY  -3           H3       GLY  -3   1.950   3.496   5.222
    4    HA2  GLY  -3           HA2      GLY  -3   0.489   2.724   3.548
    5    HA3  GLY  -3           HA3      GLY  -3   2.100   2.995   2.888
    6    H    HIS  -2           H        HIS  -2  -0.444   0.818   3.432
    7    HA   HIS  -2           HA       HIS  -2   0.991  -1.189   1.778
    8    HB2  HIS  -2           HB2      HIS  -2   0.027  -3.018   2.932
    9    HB3  HIS  -2           HB3      HIS  -2   0.832  -2.026   4.136
   10    HD1  HIS  -2           HD1      HIS  -2  -1.036  -0.303   5.524
   11    HD2  HIS  -2           HD2      HIS  -2  -2.491  -3.609   3.352
   12    HE1  HIS  -2           HE1      HIS  -2  -3.402  -0.758   6.361
   13    H    MET  -1           H        MET  -1  -1.906   0.697   2.507
   14    HA   MET  -1           HA       MET  -1  -2.764   0.041  -0.248
   15    HB2  MET  -1           HB2      MET  -1  -5.091  -0.065   0.361
   16    HB3  MET  -1           HB3      MET  -1  -4.178  -1.320   1.198
   17    HG2  MET  -1           HG2      MET  -1  -4.224  -0.115   3.274
   18    HG3  MET  -1           HG3      MET  -1  -4.886   1.321   2.492
   19    HE1  MET  -1           HE1      MET  -1  -8.597   0.433   1.841
   20    HE2  MET  -1           HE2      MET  -1  -7.312   1.662   1.745
   21    HE3  MET  -1           HE3      MET  -1  -7.294   0.265   0.649
   22    H    PHE 679           H        PHE 679  -1.300   2.250   1.169
   23    HA   PHE 679           HA       PHE 679  -2.402   4.427  -0.381
   24    HB2  PHE 679           HB2      PHE 679  -2.224   4.429   2.623
   25    HB3  PHE 679           HB3      PHE 679  -1.680   5.857   1.800
   26    HD1  PHE 679           HD2      PHE 679  -3.170   7.367   0.603
   27    HD2  PHE 679           HD1      PHE 679  -4.656   3.927   2.744
   28    HE1  PHE 679           HE2      PHE 679  -5.458   8.265   0.472
   29    HE2  PHE 679           HE1      PHE 679  -6.951   4.967   2.770
   30    HZ   PHE 679           HZ       PHE 679  -7.355   7.053   1.518
   31    HA   PRO 680           HA       PRO 680   1.573   5.161  -1.870
   32    HB2  PRO 680           HB2      PRO 680   1.825   7.264   0.308
   33    HB3  PRO 680           HB3      PRO 680   2.673   7.228  -1.289
   34    HG2  PRO 680           HG2      PRO 680   0.260   8.427  -1.101
   35    HG3  PRO 680           HG3      PRO 680   0.597   7.356  -2.486
   36    HD2  PRO 680           HD2      PRO 680  -1.181   6.872  -0.158
   37    HD3  PRO 680           HD3      PRO 680  -1.208   6.135  -1.775
   38    H    SER 681           H        SER 681   2.927   5.765   1.384
   39    HA   SER 681           HA       SER 681   3.889   3.013   1.588
   40    HB2  SER 681           HB2      SER 681   5.901   5.227   0.977
   41    HB3  SER 681           HB3      SER 681   6.303   3.590   1.520
   42    HG   SER 681           HG       SER 681   4.642   3.489  -0.603
   43    H    ASP 682           H        ASP 682   4.176   6.433   2.638
   44    HA   ASP 682           HA       ASP 682   4.861   5.770   5.378
   45    HB2  ASP 682           HB2      ASP 682   4.647   8.187   5.693
   46    HB3  ASP 682           HB3      ASP 682   5.710   7.805   4.343
   47    H    ILE 683           H        ILE 683   2.093   7.605   4.037
   48    HA   ILE 683           HA       ILE 683   0.375   7.219   6.198
   49    HB   ILE 683           HB       ILE 683  -1.418   7.790   4.410
   50   HG12  ILE 683          HG12      ILE 683   1.004   8.483   2.697
   51   HG13  ILE 683          HG13      ILE 683   0.036   7.034   2.446
   52   HG21  ILE 683          HG21      ILE 683  -0.417   9.433   5.981
   53   HG22  ILE 683          HG22      ILE 683   0.821   9.794   4.739
   54   HG23  ILE 683          HG23      ILE 683  -0.894  10.116   4.417
   55   HD11  ILE 683          HD11      ILE 683  -1.986   8.547   2.192
   56   HD12  ILE 683          HD12      ILE 683  -0.876   9.938   2.212
   57   HD13  ILE 683          HD13      ILE 683  -0.739   8.727   0.944
   58    H    ASP 684           H        ASP 684  -1.663   6.127   6.321
   59    HA   ASP 684           HA       ASP 684  -2.273   3.946   4.566
   60    HB2  ASP 684           HB2      ASP 684  -1.058   3.362   7.180
   61    HB3  ASP 684           HB3      ASP 684  -2.642   2.632   6.997
   62    HA   PRO 685           HA       PRO 685  -6.158   5.369   4.839
   63    HB2  PRO 685           HB2      PRO 685  -7.520   3.189   6.387
   64    HB3  PRO 685           HB3      PRO 685  -7.877   3.767   4.730
   65    HG2  PRO 685           HG2      PRO 685  -6.621   1.389   5.178
   66    HG3  PRO 685           HG3      PRO 685  -6.150   2.464   3.815
   67    HD2  PRO 685           HD2      PRO 685  -4.889   2.253   6.565
   68    HD3  PRO 685           HD3      PRO 685  -4.070   2.183   4.954
   69    H    GLN 686           H        GLN 686  -5.328   4.044   8.008
   70    HA   GLN 686           HA       GLN 686  -7.314   5.557   9.365
   71    HB2  GLN 686           HB2      GLN 686  -5.938   3.551  10.277
   72    HB3  GLN 686           HB3      GLN 686  -4.669   4.737  10.613
   73    HG2  GLN 686           HG2      GLN 686  -6.682   6.063  11.779
   74    HG3  GLN 686           HG3      GLN 686  -7.453   4.484  11.781
   75   HE21  GLN 686          HE22      GLN 686  -4.949   6.492  13.184
   76   HE22  GLN 686          HE21      GLN 686  -4.432   5.337  14.399
   77    H    VAL 687           H        VAL 687  -3.832   6.012   8.768
   78    HA   VAL 687           HA       VAL 687  -3.553   8.503  10.086
   79    HB   VAL 687           HB       VAL 687  -1.852   7.456   7.774
   80   HG11  VAL 687          HG11      VAL 687   0.008   8.565   8.925
   81   HG12  VAL 687          HG12      VAL 687  -1.282   9.728   8.588
   82   HG13  VAL 687          HG13      VAL 687  -1.088   9.084  10.232
   83   HG21  VAL 687          HG21      VAL 687  -2.035   5.551   9.266
   84   HG22  VAL 687          HG22      VAL 687  -0.450   6.290   9.497
   85   HG23  VAL 687          HG23      VAL 687  -1.744   6.581  10.685
   86    H    PHE 688           H        PHE 688  -4.392   7.606   6.760
   87    HA   PHE 688           HA       PHE 688  -4.075  10.258   5.696
   88    HB2  PHE 688           HB2      PHE 688  -3.841   8.196   4.321
   89    HB3  PHE 688           HB3      PHE 688  -5.558   7.844   4.574
   90    HD1  PHE 688           HD1      PHE 688  -3.231  10.526   3.374
   91    HD2  PHE 688           HD2      PHE 688  -7.208   8.885   3.162
   92    HE1  PHE 688           HE1      PHE 688  -3.786  12.092   1.568
   93    HE2  PHE 688           HE2      PHE 688  -7.743  10.421   1.276
   94    HZ   PHE 688           HZ       PHE 688  -6.006  12.011   0.463
   95    H    TYR 689           H        TYR 689  -6.902   8.320   6.881
   96    HA   TYR 689           HA       TYR 689  -8.702  10.513   6.102
   97    HB2  TYR 689           HB2      TYR 689  -9.167   7.901   7.527
   98    HB3  TYR 689           HB3      TYR 689 -10.432   9.061   7.090
   99    HD1  TYR 689           HD1      TYR 689  -9.674   9.775   4.269
  100    HD2  TYR 689           HD2      TYR 689  -9.712   5.985   6.320
  101    HE1  TYR 689           HE1      TYR 689  -9.966   8.612   2.113
  102    HE2  TYR 689           HE2      TYR 689 -10.019   4.810   4.171
  103    HH   TYR 689           HH       TYR 689 -10.210   5.039   1.856
  104    H    GLU 690           H        GLU 690  -6.767   9.697   8.874
  105    HA   GLU 690           HA       GLU 690  -8.144  11.429  10.750
  106    HB2  GLU 690           HB2      GLU 690  -5.356  10.209  10.563
  107    HB3  GLU 690           HB3      GLU 690  -5.780  11.338  11.848
  108    HG2  GLU 690           HG2      GLU 690  -7.502   9.934  12.712
  109    HG3  GLU 690           HG3      GLU 690  -7.408   8.823  11.359
  110    H    LEU 691           H        LEU 691  -6.463  12.085   7.866
  111    HA   LEU 691           HA       LEU 691  -5.439  14.703   8.642
  112    HB2  LEU 691           HB2      LEU 691  -6.024  13.571   5.880
  113    HB3  LEU 691           HB3      LEU 691  -5.114  15.036   6.218
  114    HG   LEU 691           HG       LEU 691  -4.265  12.200   6.814
  115   HD11  LEU 691          HD11      LEU 691  -2.468  12.645   5.245
  116   HD12  LEU 691          HD12      LEU 691  -4.034  12.986   4.480
  117   HD13  LEU 691          HD13      LEU 691  -3.000  14.323   5.050
  118   HD21  LEU 691          HD21      LEU 691  -2.847  14.763   7.619
  119   HD22  LEU 691          HD22      LEU 691  -3.464  13.484   8.696
  120   HD23  LEU 691          HD23      LEU 691  -2.113  13.143   7.627
  121    HA   PRO 692           HA       PRO 692  -9.252  16.925   8.277
  122    HB2  PRO 692           HB2      PRO 692  -7.908  18.909   6.457
  123    HB3  PRO 692           HB3      PRO 692  -8.781  19.201   7.989
  124    HG2  PRO 692           HG2      PRO 692  -6.058  19.311   7.887
  125    HG3  PRO 692           HG3      PRO 692  -6.899  18.568   9.289
  126    HD2  PRO 692           HD2      PRO 692  -5.696  17.178   6.878
  127    HD3  PRO 692           HD3      PRO 692  -5.504  16.780   8.623
  128    H    GLU 693           H        GLU 693 -11.004  16.987   6.883
  129    HA   GLU 693           HA       GLU 693 -11.211  15.388   4.755
  130    HB2  GLU 693           HB2      GLU 693 -13.111  16.449   5.958
  131    HB3  GLU 693           HB3      GLU 693 -12.698  18.011   5.267
  132    HG2  GLU 693           HG2      GLU 693 -14.653  17.133   4.163
  133    HG3  GLU 693           HG3      GLU 693 -13.323  17.219   3.010
  134    H    ALA 694           H        ALA 694 -10.544  18.879   4.404
  135    HA   ALA 694           HA       ALA 694 -10.446  18.681   1.572
  136    HB1  ALA 694           HB1      ALA 694  -9.517  20.976   1.670
  137    HB2  ALA 694           HB2      ALA 694 -10.923  20.791   2.738
  138    HB3  ALA 694           HB3      ALA 694  -9.268  20.799   3.427
  139    H    VAL 695           H        VAL 695  -7.953  17.963   3.944
  140    HA   VAL 695           HA       VAL 695  -5.824  18.174   1.998
  141    HB   VAL 695           HB       VAL 695  -5.925  16.756   4.682
  142   HG11  VAL 695          HG11      VAL 695  -4.249  15.642   3.294
  143   HG12  VAL 695          HG12      VAL 695  -3.571  17.210   2.808
  144   HG13  VAL 695          HG13      VAL 695  -3.437  16.656   4.496
  145   HG21  VAL 695          HG21      VAL 695  -6.064  19.217   4.865
  146   HG22  VAL 695          HG22      VAL 695  -4.480  18.649   5.415
  147   HG23  VAL 695          HG23      VAL 695  -4.649  19.390   3.812
  148    H    GLN 696           H        GLN 696  -8.160  15.722   3.138
  149    HA   GLN 696           HA       GLN 696  -6.838  13.480   1.933
  150    HB2  GLN 696           HB2      GLN 696  -9.810  13.911   2.422
  151    HB3  GLN 696           HB3      GLN 696  -9.054  12.378   2.038
  152    HG2  GLN 696           HG2      GLN 696  -7.984  12.282   4.184
  153    HG3  GLN 696           HG3      GLN 696  -8.429  13.951   4.566
  154   HE21  GLN 696          HE22      GLN 696  -9.575  13.141   6.515
  155   HE22  GLN 696          HE21      GLN 696 -11.148  12.409   6.314
  156    H    LYS 697           H        LYS 697  -9.453  15.667   0.970
  157    HA   LYS 697           HA       LYS 697  -9.936  14.602  -1.632
  158    HB2  LYS 697           HB2      LYS 697 -10.527  17.155  -0.174
  159    HB3  LYS 697           HB3      LYS 697 -10.657  17.168  -1.936
  160    HG2  LYS 697           HG2      LYS 697 -12.798  16.714  -1.159
  161    HG3  LYS 697           HG3      LYS 697 -12.215  15.192  -1.819
  162    HD2  LYS 697           HD2      LYS 697 -12.217  15.874   1.138
  163    HD3  LYS 697           HD3      LYS 697 -13.604  15.208   0.302
  164    HE2  LYS 697           HE2      LYS 697 -12.354  13.170  -0.283
  165    HE3  LYS 697           HE3      LYS 697 -10.956  13.749   0.633
  166    HZ1  LYS 697           HZ1      LYS 697 -12.283  13.631   2.665
  167    HZ2  LYS 697           HZ2      LYS 697 -13.614  13.447   1.902
  168    HZ3  LYS 697           HZ3      LYS 697 -12.478  12.212   1.930
  169    H    GLU 698           H        GLU 698  -7.762  17.318  -0.595
  170    HA   GLU 698           HA       GLU 698  -6.823  17.975  -3.146
  171    HB2  GLU 698           HB2      GLU 698  -6.613  19.409  -1.208
  172    HB3  GLU 698           HB3      GLU 698  -5.637  18.213  -0.353
  173    HG2  GLU 698           HG2      GLU 698  -4.308  20.105  -1.175
  174    HG3  GLU 698           HG3      GLU 698  -3.766  18.556  -1.813
  175    H    LEU 699           H        LEU 699  -5.485  15.621  -0.773
  176    HA   LEU 699           HA       LEU 699  -3.184  14.881  -2.356
  177    HB2  LEU 699           HB2      LEU 699  -4.758  13.701  -0.069
  178    HB3  LEU 699           HB3      LEU 699  -3.531  12.735  -0.851
  179    HG   LEU 699           HG       LEU 699  -3.118  14.245   1.358
  180   HD11  LEU 699          HD11      LEU 699  -0.698  14.031   0.909
  181   HD12  LEU 699          HD12      LEU 699  -1.618  12.560   0.570
  182   HD13  LEU 699          HD13      LEU 699  -1.074  13.590  -0.779
  183   HD21  LEU 699          HD21      LEU 699  -3.381  16.438   0.237
  184   HD22  LEU 699          HD22      LEU 699  -1.761  16.209   0.895
  185   HD23  LEU 699          HD23      LEU 699  -2.031  16.042  -0.845
  186    H    LEU 700           H        LEU 700  -6.528  13.581  -2.259
  187    HA   LEU 700           HA       LEU 700  -5.958  11.507  -4.188
  188    HB2  LEU 700           HB2      LEU 700  -8.494  12.950  -3.343
  189    HB3  LEU 700           HB3      LEU 700  -8.514  11.724  -4.603
  190    HG   LEU 700           HG       LEU 700  -7.341  11.128  -1.851
  191   HD11  LEU 700          HD11      LEU 700  -9.489  10.172  -1.196
  192   HD12  LEU 700          HD12      LEU 700  -9.650  11.905  -1.516
  193   HD13  LEU 700          HD13      LEU 700 -10.235  10.730  -2.717
  194   HD21  LEU 700          HD21      LEU 700  -8.567   9.320  -3.990
  195   HD22  LEU 700          HD22      LEU 700  -6.831   9.533  -3.721
  196   HD23  LEU 700          HD23      LEU 700  -7.828   8.795  -2.460
  197    H    ALA 701           H        ALA 701  -6.941  14.954  -4.504
  198    HA   ALA 701           HA       ALA 701  -7.206  14.873  -7.340
  199    HB1  ALA 701           HB1      ALA 701  -6.372  17.245  -5.618
  200    HB2  ALA 701           HB2      ALA 701  -7.037  17.296  -7.258
  201    HB3  ALA 701           HB3      ALA 701  -8.049  16.737  -5.907
  202    H    GLU 702           H        GLU 702  -4.342  15.584  -5.225
  203    HA   GLU 702           HA       GLU 702  -2.542  16.031  -7.338
  204    HB2  GLU 702           HB2      GLU 702  -2.150  16.551  -4.930
  205    HB3  GLU 702           HB3      GLU 702  -1.960  14.830  -4.592
  206    HG2  GLU 702           HG2      GLU 702   0.205  16.062  -4.847
  207    HG3  GLU 702           HG3      GLU 702   0.033  14.697  -5.956
  208    H    TRP 703           H        TRP 703  -3.293  12.948  -5.644
  209    HA   TRP 703           HA       TRP 703  -1.725  11.330  -7.443
  210    HB2  TRP 703           HB2      TRP 703  -4.035  10.664  -5.596
  211    HB3  TRP 703           HB3      TRP 703  -2.934   9.468  -6.303
  212    HD1  TRP 703           HD1      TRP 703  -0.248  11.299  -5.562
  213    HE1  TRP 703           HE1      TRP 703   0.519  11.304  -3.117
  214    HE3  TRP 703           HE3      TRP 703  -4.604   9.858  -3.410
  215    HZ2  TRP 703           HZ2      TRP 703  -0.646  10.684  -0.506
  216    HZ3  TRP 703           HZ3      TRP 703  -4.814   9.685  -0.952
  217    HH2  TRP 703           HH2      TRP 703  -2.835  10.033   0.493
  218    H    LYS 704           H        LYS 704  -4.600  13.030  -8.086
  219    HA   LYS 704           HA       LYS 704  -4.891  11.407 -10.555
  220    HB2  LYS 704           HB2      LYS 704  -6.838  11.555  -8.904
  221    HB3  LYS 704           HB3      LYS 704  -6.959  13.262  -9.323
  222    HG2  LYS 704           HG2      LYS 704  -8.594  11.766 -10.466
  223    HG3  LYS 704           HG3      LYS 704  -7.638  12.744 -11.563
  224    HD2  LYS 704           HD2      LYS 704  -8.042  10.458 -12.367
  225    HD3  LYS 704           HD3      LYS 704  -6.348  10.850 -12.287
  226    HE2  LYS 704           HE2      LYS 704  -7.564   9.423  -9.907
  227    HE3  LYS 704           HE3      LYS 704  -7.442   8.533 -11.430
  228    HZ1  LYS 704           HZ1      LYS 704  -5.139   9.619  -9.915
  229    HZ2  LYS 704           HZ2      LYS 704  -5.428   8.062 -10.385
  230    HZ3  LYS 704           HZ3      LYS 704  -5.040   9.168 -11.461
  231    H    ARG 705           H        ARG 705  -3.338  14.122  -9.584
  232    HA   ARG 705           HA       ARG 705  -3.522  15.419 -12.251
  233    HB2  ARG 705           HB2      ARG 705  -1.873  15.976  -9.740
  234    HB3  ARG 705           HB3      ARG 705  -1.674  16.885 -11.227
  235    HG2  ARG 705           HG2      ARG 705  -3.827  17.876 -11.095
  236    HG3  ARG 705           HG3      ARG 705  -4.362  16.757  -9.853
  237    HD2  ARG 705           HD2      ARG 705  -2.370  17.727  -8.457
  238    HD3  ARG 705           HD3      ARG 705  -2.408  19.062  -9.591
  239    HE   ARG 705           HE       ARG 705  -4.970  19.027  -8.877
  240   HH11  ARG 705          HH21      ARG 705  -2.139  18.566  -6.649
  241   HH12  ARG 705          HH22      ARG 705  -3.016  19.290  -5.325
  242   HH21  ARG 705          HH11      ARG 705  -5.986  20.008  -6.989
  243   HH22  ARG 705          HH12      ARG 705  -5.137  19.986  -5.475
  244    H    THR 706           H        THR 706  -1.828  12.846 -10.712
  245    HA   THR 706           HA       THR 706   0.529  13.105 -12.500
  246    HB   THR 706           HB       THR 706   1.579  11.804 -10.537
  247    HG1  THR 706           HG1      THR 706  -0.495  12.867  -8.979
  248   HG21  THR 706          HG21      THR 706   1.996  14.214 -10.885
  249   HG22  THR 706          HG22      THR 706   0.509  14.619 -10.008
  250   HG23  THR 706          HG23      THR 706   1.855  13.846  -9.157
  251    H    GLY 707           H        GLY 707  -2.251  11.211 -12.244
  252    HA2  GLY 707           HA2      GLY 707  -1.682   9.220 -14.011
  253    HA3  GLY 707           HA3      GLY 707  -1.225   8.559 -12.419
  Start of MODEL   14
    1    H1   GLY  -3           H1       GLY  -3   0.614   9.941 -10.192
    2    H2   GLY  -3           H2       GLY  -3  -0.754   9.041 -10.145
    3    H3   GLY  -3           H3       GLY  -3  -0.464  10.111  -8.949
    4    HA2  GLY  -3           HA2      GLY  -3   1.139   7.726  -9.564
    5    HA3  GLY  -3           HA3      GLY  -3   1.413   8.828  -8.193
    6    H    HIS  -2           H        HIS  -2  -1.249   6.925  -9.665
    7    HA   HIS  -2           HA       HIS  -2  -2.923   5.782  -8.827
    8    HB2  HIS  -2           HB2      HIS  -2  -2.288   3.700  -7.974
    9    HB3  HIS  -2           HB3      HIS  -2  -1.068   4.239  -9.105
   10    HD1  HIS  -2           HD1      HIS  -2  -0.204   5.822  -5.813
   11    HD2  HIS  -2           HD2      HIS  -2  -0.019   1.988  -7.570
   12    HE1  HIS  -2           HE1      HIS  -2   1.212   4.384  -4.290
   13    H    MET  -1           H        MET  -1  -2.194   4.623  -5.843
   14    HA   MET  -1           HA       MET  -1  -4.108   6.469  -4.519
   15    HB2  MET  -1           HB2      MET  -1  -4.264   3.719  -4.944
   16    HB3  MET  -1           HB3      MET  -1  -3.543   3.772  -3.351
   17    HG2  MET  -1           HG2      MET  -1  -6.129   5.127  -4.259
   18    HG3  MET  -1           HG3      MET  -1  -6.012   3.639  -3.319
   19    HE1  MET  -1           HE1      MET  -1  -7.624   6.107  -0.752
   20    HE2  MET  -1           HE2      MET  -1  -7.921   6.037  -2.501
   21    HE3  MET  -1           HE3      MET  -1  -7.764   4.529  -1.558
   22    H    PHE 679           H        PHE 679  -3.427   5.531  -1.882
   23    HA   PHE 679           HA       PHE 679  -1.549   7.294  -1.020
   24    HB2  PHE 679           HB2      PHE 679  -2.225   4.559   0.155
   25    HB3  PHE 679           HB3      PHE 679  -1.358   5.814   1.018
   26    HD1  PHE 679           HD2      PHE 679  -2.890   8.261   0.267
   27    HD2  PHE 679           HD1      PHE 679  -4.198   4.371   1.563
   28    HE1  PHE 679           HE2      PHE 679  -5.075   9.186   0.771
   29    HE2  PHE 679           HE1      PHE 679  -6.387   5.397   2.296
   30    HZ   PHE 679           HZ       PHE 679  -6.854   7.757   1.797
   31    HA   PRO 680           HA       PRO 680   2.484   5.630  -2.264
   32    HB2  PRO 680           HB2      PRO 680   3.282   7.366   0.080
   33    HB3  PRO 680           HB3      PRO 680   4.077   7.204  -1.518
   34    HG2  PRO 680           HG2      PRO 680   2.499   9.336  -0.991
   35    HG3  PRO 680           HG3      PRO 680   2.350   8.494  -2.572
   36    HD2  PRO 680           HD2      PRO 680   0.600   8.210  -0.122
   37    HD3  PRO 680           HD3      PRO 680   0.130   8.358  -1.847
   38    H    SER 681           H        SER 681   0.873   5.343   0.764
   39    HA   SER 681           HA       SER 681   0.693   3.733   2.238
   40    HB2  SER 681           HB2      SER 681   2.639   2.123   0.564
   41    HB3  SER 681           HB3      SER 681   1.601   1.522   1.872
   42    HG   SER 681           HG       SER 681   0.676   2.843  -0.491
   43    H    ASP 682           H        ASP 682   3.085   5.793   2.186
   44    HA   ASP 682           HA       ASP 682   4.666   4.772   4.443
   45    HB2  ASP 682           HB2      ASP 682   5.625   6.975   4.503
   46    HB3  ASP 682           HB3      ASP 682   5.580   6.494   2.811
   47    H    ILE 683           H        ILE 683   1.987   6.933   3.668
   48    HA   ILE 683           HA       ILE 683   0.963   7.261   6.346
   49    HB   ILE 683           HB       ILE 683  -1.101   8.022   5.030
   50   HG12  ILE 683          HG12      ILE 683   0.681   7.655   2.599
   51   HG13  ILE 683          HG13      ILE 683  -0.806   6.779   2.980
   52   HG21  ILE 683          HG21      ILE 683   1.407   9.483   4.156
   53   HG22  ILE 683          HG22      ILE 683  -0.196  10.152   4.551
   54   HG23  ILE 683          HG23      ILE 683   0.830   9.514   5.843
   55   HD11  ILE 683          HD11      ILE 683  -2.138   8.711   2.724
   56   HD12  ILE 683          HD12      ILE 683  -0.731   9.780   2.521
   57   HD13  ILE 683          HD13      ILE 683  -1.077   8.561   1.305
   58    H    ASP 684           H        ASP 684  -0.222   5.873   7.456
   59    HA   ASP 684           HA       ASP 684  -1.194   3.372   6.288
   60    HB2  ASP 684           HB2      ASP 684  -0.570   3.215   8.570
   61    HB3  ASP 684           HB3      ASP 684  -1.407   4.710   8.997
   62    HA   PRO 685           HA       PRO 685  -4.661   5.339   4.464
   63    HB2  PRO 685           HB2      PRO 685  -6.420   3.032   5.308
   64    HB3  PRO 685           HB3      PRO 685  -6.163   3.684   3.671
   65    HG2  PRO 685           HG2      PRO 685  -4.989   1.362   4.411
   66    HG3  PRO 685           HG3      PRO 685  -4.037   2.579   3.488
   67    HD2  PRO 685           HD2      PRO 685  -4.164   2.194   6.490
   68    HD3  PRO 685           HD3      PRO 685  -2.690   2.238   5.447
   69    H    GLN 686           H        GLN 686  -5.187   4.002   7.747
   70    HA   GLN 686           HA       GLN 686  -7.624   5.497   8.133
   71    HB2  GLN 686           HB2      GLN 686  -5.836   4.097  10.171
   72    HB3  GLN 686           HB3      GLN 686  -7.343   4.901  10.535
   73    HG2  GLN 686           HG2      GLN 686  -7.729   2.538  10.408
   74    HG3  GLN 686           HG3      GLN 686  -8.601   3.358   9.116
   75   HE21  GLN 686          HE22      GLN 686  -5.066   2.232   9.180
   76   HE22  GLN 686          HE21      GLN 686  -5.320   1.082   7.933
   77    H    VAL 687           H        VAL 687  -4.170   5.876   8.950
   78    HA   VAL 687           HA       VAL 687  -4.384   8.307  10.451
   79    HB   VAL 687           HB       VAL 687  -2.077   7.278   8.705
   80   HG11  VAL 687          HG11      VAL 687  -0.631   8.672  10.182
   81   HG12  VAL 687          HG12      VAL 687  -1.739   9.653   9.213
   82   HG13  VAL 687          HG13      VAL 687  -2.092   9.371  10.930
   83   HG21  VAL 687          HG21      VAL 687  -2.766   5.702  10.569
   84   HG22  VAL 687          HG22      VAL 687  -1.168   6.405  10.854
   85   HG23  VAL 687          HG23      VAL 687  -2.591   7.025  11.728
   86    H    PHE 688           H        PHE 688  -4.039   7.672   6.911
   87    HA   PHE 688           HA       PHE 688  -3.913  10.407   6.184
   88    HB2  PHE 688           HB2      PHE 688  -3.438   8.523   4.649
   89    HB3  PHE 688           HB3      PHE 688  -5.149   8.090   4.643
   90    HD1  PHE 688           HD1      PHE 688  -2.697  10.701   3.709
   91    HD2  PHE 688           HD2      PHE 688  -6.821   9.473   3.481
   92    HE1  PHE 688           HE1      PHE 688  -3.069  12.304   1.866
   93    HE2  PHE 688           HE2      PHE 688  -7.186  11.081   1.620
   94    HZ   PHE 688           HZ       PHE 688  -5.303  12.454   0.796
   95    H    TYR 689           H        TYR 689  -6.806   8.303   6.741
   96    HA   TYR 689           HA       TYR 689  -8.555  10.470   5.904
   97    HB2  TYR 689           HB2      TYR 689  -9.021   7.744   7.101
   98    HB3  TYR 689           HB3      TYR 689 -10.331   8.881   6.741
   99    HD1  TYR 689           HD1      TYR 689  -9.964   9.970   4.184
  100    HD2  TYR 689           HD2      TYR 689  -8.895   6.016   5.516
  101    HE1  TYR 689           HE1      TYR 689 -10.056   9.174   1.854
  102    HE2  TYR 689           HE2      TYR 689  -9.024   5.193   3.188
  103    HH   TYR 689           HH       TYR 689  -9.832   7.350   0.431
  104    H    GLU 690           H        GLU 690  -6.929   9.817   8.905
  105    HA   GLU 690           HA       GLU 690  -8.737  11.418  10.510
  106    HB2  GLU 690           HB2      GLU 690  -6.982   9.732  11.315
  107    HB3  GLU 690           HB3      GLU 690  -5.754  10.957  10.958
  108    HG2  GLU 690           HG2      GLU 690  -6.891  12.524  12.535
  109    HG3  GLU 690           HG3      GLU 690  -8.109  11.295  12.881
  110    H    LEU 691           H        LEU 691  -6.411  12.150   8.026
  111    HA   LEU 691           HA       LEU 691  -5.785  14.827   8.799
  112    HB2  LEU 691           HB2      LEU 691  -6.098  13.672   6.005
  113    HB3  LEU 691           HB3      LEU 691  -5.327  15.197   6.376
  114    HG   LEU 691           HG       LEU 691  -4.279  12.462   7.226
  115   HD11  LEU 691          HD11      LEU 691  -2.525  12.854   5.606
  116   HD12  LEU 691          HD12      LEU 691  -4.105  12.987   4.811
  117   HD13  LEU 691          HD13      LEU 691  -3.188  14.459   5.199
  118   HD21  LEU 691          HD21      LEU 691  -2.249  13.663   7.948
  119   HD22  LEU 691          HD22      LEU 691  -3.066  15.223   7.651
  120   HD23  LEU 691          HD23      LEU 691  -3.650  14.107   8.916
  121    HA   PRO 692           HA       PRO 692  -9.633  16.899   8.292
  122    HB2  PRO 692           HB2      PRO 692  -8.327  18.987   6.560
  123    HB3  PRO 692           HB3      PRO 692  -9.274  19.204   8.058
  124    HG2  PRO 692           HG2      PRO 692  -6.550  19.433   8.055
  125    HG3  PRO 692           HG3      PRO 692  -7.419  18.666   9.429
  126    HD2  PRO 692           HD2      PRO 692  -5.995  17.320   7.120
  127    HD3  PRO 692           HD3      PRO 692  -5.972  16.904   8.873
  128    H    GLU 693           H        GLU 693 -11.320  16.969   6.839
  129    HA   GLU 693           HA       GLU 693 -11.541  15.431   4.682
  130    HB2  GLU 693           HB2      GLU 693 -13.396  16.608   5.827
  131    HB3  GLU 693           HB3      GLU 693 -12.847  18.147   5.181
  132    HG2  GLU 693           HG2      GLU 693 -14.807  17.396   3.978
  133    HG3  GLU 693           HG3      GLU 693 -13.420  17.454   2.892
  134    H    ALA 694           H        ALA 694 -10.878  18.947   4.284
  135    HA   ALA 694           HA       ALA 694 -10.552  18.615   1.495
  136    HB1  ALA 694           HB1      ALA 694 -11.163  20.770   2.609
  137    HB2  ALA 694           HB2      ALA 694  -9.555  20.813   3.390
  138    HB3  ALA 694           HB3      ALA 694  -9.697  20.989   1.619
  139    H    VAL 695           H        VAL 695  -8.215  18.108   4.043
  140    HA   VAL 695           HA       VAL 695  -5.934  18.527   2.312
  141    HB   VAL 695           HB       VAL 695  -6.188  17.115   4.987
  142   HG11  VAL 695          HG11      VAL 695  -4.254  16.185   3.770
  143   HG12  VAL 695          HG12      VAL 695  -3.646  17.829   3.471
  144   HG13  VAL 695          HG13      VAL 695  -3.726  17.184   5.128
  145   HG21  VAL 695          HG21      VAL 695  -5.048  19.847   4.254
  146   HG22  VAL 695          HG22      VAL 695  -6.570  19.561   5.123
  147   HG23  VAL 695          HG23      VAL 695  -5.030  19.126   5.880
  148    H    GLN 696           H        GLN 696  -7.976  15.804   3.453
  149    HA   GLN 696           HA       GLN 696  -6.524  13.685   2.294
  150    HB2  GLN 696           HB2      GLN 696  -9.527  14.046   2.492
  151    HB3  GLN 696           HB3      GLN 696  -8.750  12.529   2.136
  152    HG2  GLN 696           HG2      GLN 696  -7.955  12.333   4.399
  153    HG3  GLN 696           HG3      GLN 696  -8.388  14.011   4.757
  154   HE21  GLN 696          HE22      GLN 696  -9.778  13.154   6.524
  155   HE22  GLN 696          HE21      GLN 696 -11.354  12.517   6.130
  156    H    LYS 697           H        LYS 697  -9.050  15.814   1.063
  157    HA   LYS 697           HA       LYS 697  -9.368  14.477  -1.439
  158    HB2  LYS 697           HB2      LYS 697 -10.326  17.074  -0.229
  159    HB3  LYS 697           HB3      LYS 697 -10.483  16.851  -1.979
  160    HG2  LYS 697           HG2      LYS 697 -12.545  16.120  -0.998
  161    HG3  LYS 697           HG3      LYS 697 -11.684  14.702  -1.604
  162    HD2  LYS 697           HD2      LYS 697 -10.865  14.470   0.882
  163    HD3  LYS 697           HD3      LYS 697 -12.181  15.607   1.232
  164    HE2  LYS 697           HE2      LYS 697 -13.744  14.032   0.238
  165    HE3  LYS 697           HE3      LYS 697 -12.403  12.912  -0.157
  166    HZ1  LYS 697           HZ1      LYS 697 -12.051  12.813   2.373
  167    HZ2  LYS 697           HZ2      LYS 697 -13.381  13.731   2.510
  168    HZ3  LYS 697           HZ3      LYS 697 -13.538  12.258   1.901
  169    H    GLU 698           H        GLU 698  -7.375  17.393  -0.590
  170    HA   GLU 698           HA       GLU 698  -6.685  17.750  -3.341
  171    HB2  GLU 698           HB2      GLU 698  -6.505  19.606  -1.830
  172    HB3  GLU 698           HB3      GLU 698  -5.368  18.749  -0.798
  173    HG2  GLU 698           HG2      GLU 698  -4.322  20.492  -2.248
  174    HG3  GLU 698           HG3      GLU 698  -3.610  18.893  -2.403
  175    H    LEU 699           H        LEU 699  -4.949  16.032  -0.655
  176    HA   LEU 699           HA       LEU 699  -2.722  15.123  -2.173
  177    HB2  LEU 699           HB2      LEU 699  -4.325  14.204   0.204
  178    HB3  LEU 699           HB3      LEU 699  -3.128  13.111  -0.464
  179    HG   LEU 699           HG       LEU 699  -2.491  14.453   1.544
  180   HD11  LEU 699          HD11      LEU 699  -0.163  14.863   0.772
  181   HD12  LEU 699          HD12      LEU 699  -0.828  13.306   0.282
  182   HD13  LEU 699          HD13      LEU 699  -0.714  14.616  -0.908
  183   HD21  LEU 699          HD21      LEU 699  -2.138  16.769  -0.401
  184   HD22  LEU 699          HD22      LEU 699  -3.334  16.692   0.901
  185   HD23  LEU 699          HD23      LEU 699  -1.611  16.726   1.290
  186    H    LEU 700           H        LEU 700  -6.000  13.614  -1.854
  187    HA   LEU 700           HA       LEU 700  -5.256  11.443  -3.613
  188    HB2  LEU 700           HB2      LEU 700  -7.905  12.497  -2.580
  189    HB3  LEU 700           HB3      LEU 700  -7.846  11.203  -3.775
  190    HG   LEU 700           HG       LEU 700  -6.323  11.008  -1.151
  191   HD11  LEU 700          HD11      LEU 700  -8.683  11.326  -0.597
  192   HD12  LEU 700          HD12      LEU 700  -9.144  10.017  -1.711
  193   HD13  LEU 700          HD13      LEU 700  -8.172   9.663  -0.258
  194   HD21  LEU 700          HD21      LEU 700  -6.367   8.594  -1.592
  195   HD22  LEU 700          HD22      LEU 700  -7.354   8.846  -3.052
  196   HD23  LEU 700          HD23      LEU 700  -5.679   9.407  -3.000
  197    H    ALA 701           H        ALA 701  -6.629  14.689  -4.213
  198    HA   ALA 701           HA       ALA 701  -7.258  14.141  -6.977
  199    HB1  ALA 701           HB1      ALA 701  -6.746  16.782  -5.547
  200    HB2  ALA 701           HB2      ALA 701  -7.459  16.589  -7.162
  201    HB3  ALA 701           HB3      ALA 701  -8.326  15.986  -5.738
  202    H    GLU 702           H        GLU 702  -4.366  15.365  -5.236
  203    HA   GLU 702           HA       GLU 702  -2.854  15.999  -7.546
  204    HB2  GLU 702           HB2      GLU 702  -2.232  16.890  -5.410
  205    HB3  GLU 702           HB3      GLU 702  -2.098  15.292  -4.698
  206    HG2  GLU 702           HG2      GLU 702   0.098  16.307  -5.127
  207    HG3  GLU 702           HG3      GLU 702  -0.116  14.764  -5.938
  208    H    TRP 703           H        TRP 703  -2.855  13.046  -5.442
  209    HA   TRP 703           HA       TRP 703  -1.134  11.573  -7.135
  210    HB2  TRP 703           HB2      TRP 703  -3.291  10.726  -5.195
  211    HB3  TRP 703           HB3      TRP 703  -2.176   9.582  -5.968
  212    HD1  TRP 703           HD1      TRP 703   0.492  11.429  -5.585
  213    HE1  TRP 703           HE1      TRP 703   1.504  11.730  -3.266
  214    HE3  TRP 703           HE3      TRP 703  -3.577  10.195  -2.779
  215    HZ2  TRP 703           HZ2      TRP 703   0.687  11.370  -0.503
  216    HZ3  TRP 703           HZ3      TRP 703  -3.493  10.367  -0.312
  217    HH2  TRP 703           HH2      TRP 703  -1.361  10.933   0.825
  218    H    LYS 704           H        LYS 704  -4.700  12.051  -7.384
  219    HA   LYS 704           HA       LYS 704  -4.837  10.223  -9.596
  220    HB2  LYS 704           HB2      LYS 704  -6.787  10.806  -8.125
  221    HB3  LYS 704           HB3      LYS 704  -6.755  12.435  -8.780
  222    HG2  LYS 704           HG2      LYS 704  -8.516  11.396  -9.882
  223    HG3  LYS 704           HG3      LYS 704  -7.251  11.404 -11.088
  224    HD2  LYS 704           HD2      LYS 704  -8.167   9.058  -9.372
  225    HD3  LYS 704           HD3      LYS 704  -8.542   9.316 -11.069
  226    HE2  LYS 704           HE2      LYS 704  -5.816   8.647  -9.889
  227    HE3  LYS 704           HE3      LYS 704  -6.850   7.565 -10.802
  228    HZ1  LYS 704           HZ1      LYS 704  -4.998   8.566 -12.044
  229    HZ2  LYS 704           HZ2      LYS 704  -6.451   8.862 -12.776
  230    HZ3  LYS 704           HZ3      LYS 704  -5.626  10.023 -11.917
  231    H    ARG 705           H        ARG 705  -4.260  13.788  -9.472
  232    HA   ARG 705           HA       ARG 705  -4.589  13.982 -12.353
  233    HB2  ARG 705           HB2      ARG 705  -4.067  16.228 -12.225
  234    HB3  ARG 705           HB3      ARG 705  -4.935  15.886 -10.731
  235    HG2  ARG 705           HG2      ARG 705  -2.632  15.763  -9.604
  236    HG3  ARG 705           HG3      ARG 705  -1.935  16.319 -11.117
  237    HD2  ARG 705           HD2      ARG 705  -2.176  18.218  -9.683
  238    HD3  ARG 705           HD3      ARG 705  -3.349  18.370 -10.984
  239    HE   ARG 705           HE       ARG 705  -5.092  17.576  -9.433
  240   HH11  ARG 705          HH11      ARG 705  -2.077  18.364  -7.692
  241   HH12  ARG 705          HH12      ARG 705  -2.960  19.133  -6.379
  242   HH21  ARG 705          HH21      ARG 705  -6.153  18.435  -7.553
  243   HH22  ARG 705          HH22      ARG 705  -5.190  19.010  -6.237
  244    H    THR 706           H        THR 706  -2.013  12.850 -10.387
  245    HA   THR 706           HA       THR 706  -0.036  13.253 -12.545
  246    HB   THR 706           HB       THR 706   1.535  12.485 -10.711
  247    HG1  THR 706           HG1      THR 706  -0.530  13.003  -8.919
  248   HG21  THR 706          HG21      THR 706  -0.191  14.897  -9.985
  249   HG22  THR 706          HG22      THR 706   1.495  14.578  -9.521
  250   HG23  THR 706          HG23      THR 706   1.086  14.893 -11.206
  251    H    GLY 707           H        GLY 707  -2.334  11.099 -12.499
  252    HA2  GLY 707           HA2      GLY 707  -2.170   9.178 -13.957
  253    HA3  GLY 707           HA3      GLY 707  -0.543   8.854 -13.349
  Start of MODEL   15
    1    H1   GLY  -3           H1       GLY  -3   2.470   3.765   4.617
    2    H2   GLY  -3           H2       GLY  -3   3.315   2.712   3.663
    3    H3   GLY  -3           H3       GLY  -3   1.956   3.465   3.095
    4    HA2  GLY  -3           HA2      GLY  -3   1.976   1.568   5.334
    5    HA3  GLY  -3           HA3      GLY  -3   0.569   2.347   4.580
    6    H    HIS  -2           H        HIS  -2  -0.497   0.643   3.721
    7    HA   HIS  -2           HA       HIS  -2   0.863  -0.962   1.614
    8    HB2  HIS  -2           HB2      HIS  -2  -0.069  -2.995   2.493
    9    HB3  HIS  -2           HB3      HIS  -2   0.830  -2.215   3.787
   10    HD1  HIS  -2           HD1      HIS  -2  -1.001  -0.648   5.517
   11    HD2  HIS  -2           HD2      HIS  -2  -2.499  -3.729   3.050
   12    HE1  HIS  -2           HE1      HIS  -2  -3.247  -1.309   6.459
   13    H    MET  -1           H        MET  -1  -1.891   0.875   2.595
   14    HA   MET  -1           HA       MET  -1  -3.310   0.055   0.096
   15    HB2  MET  -1           HB2      MET  -1  -4.324  -0.716   2.271
   16    HB3  MET  -1           HB3      MET  -1  -4.517   0.970   2.729
   17    HG2  MET  -1           HG2      MET  -1  -6.037   1.286   0.763
   18    HG3  MET  -1           HG3      MET  -1  -5.774  -0.403   0.316
   19    HE1  MET  -1           HE1      MET  -1  -9.505  -0.340   1.445
   20    HE2  MET  -1           HE2      MET  -1  -8.602   0.906   0.551
   21    HE3  MET  -1           HE3      MET  -1  -8.351  -0.821   0.180
   22    H    PHE 679           H        PHE 679  -1.335   2.344   1.118
   23    HA   PHE 679           HA       PHE 679  -2.435   4.490  -0.509
   24    HB2  PHE 679           HB2      PHE 679  -2.147   4.597   2.491
   25    HB3  PHE 679           HB3      PHE 679  -1.576   5.970   1.618
   26    HD1  PHE 679           HD1      PHE 679  -4.604   4.065   2.522
   27    HD2  PHE 679           HD2      PHE 679  -3.047   7.528   0.494
   28    HE1  PHE 679           HE1      PHE 679  -6.900   5.093   2.478
   29    HE2  PHE 679           HE2      PHE 679  -5.331   8.455   0.344
   30    HZ   PHE 679           HZ       PHE 679  -7.249   7.234   1.289
   31    HA   PRO 680           HA       PRO 680   1.970   5.191  -1.430
   32    HB2  PRO 680           HB2      PRO 680   1.805   7.629   0.368
   33    HB3  PRO 680           HB3      PRO 680   2.737   7.432  -1.153
   34    HG2  PRO 680           HG2      PRO 680   0.305   8.617  -1.168
   35    HG3  PRO 680           HG3      PRO 680   0.750   7.462  -2.467
   36    HD2  PRO 680           HD2      PRO 680  -1.100   7.081  -0.168
   37    HD3  PRO 680           HD3      PRO 680  -1.137   6.339  -1.782
   38    H    SER 681           H        SER 681   4.158   5.255  -0.532
   39    HA   SER 681           HA       SER 681   4.575   3.210   1.122
   40    HB2  SER 681           HB2      SER 681   6.526   5.515   0.863
   41    HB3  SER 681           HB3      SER 681   6.884   3.786   1.035
   42    HG   SER 681           HG       SER 681   7.075   4.426  -1.131
   43    H    ASP 682           H        ASP 682   4.098   6.530   2.331
   44    HA   ASP 682           HA       ASP 682   4.967   5.803   5.042
   45    HB2  ASP 682           HB2      ASP 682   4.670   8.167   5.504
   46    HB3  ASP 682           HB3      ASP 682   5.729   7.923   4.121
   47    H    ILE 683           H        ILE 683   2.070   7.427   3.676
   48    HA   ILE 683           HA       ILE 683   0.529   7.037   6.014
   49    HB   ILE 683           HB       ILE 683  -1.406   7.651   4.300
   50   HG12  ILE 683          HG12      ILE 683   0.987   8.629   2.705
   51   HG13  ILE 683          HG13      ILE 683   0.079   7.182   2.292
   52   HG21  ILE 683          HG21      ILE 683  -0.907  10.007   4.541
   53   HG22  ILE 683          HG22      ILE 683  -0.526   9.151   6.048
   54   HG23  ILE 683          HG23      ILE 683   0.783   9.645   4.936
   55   HD11  ILE 683          HD11      ILE 683  -0.776   8.947   0.968
   56   HD12  ILE 683          HD12      ILE 683  -2.009   8.656   2.207
   57   HD13  ILE 683          HD13      ILE 683  -0.923  10.066   2.317
   58    H    ASP 684           H        ASP 684  -1.656   6.053   6.143
   59    HA   ASP 684           HA       ASP 684  -2.267   3.815   4.429
   60    HB2  ASP 684           HB2      ASP 684  -1.135   3.306   7.084
   61    HB3  ASP 684           HB3      ASP 684  -2.792   2.726   6.990
   62    HA   PRO 685           HA       PRO 685  -6.111   5.430   4.561
   63    HB2  PRO 685           HB2      PRO 685  -7.631   3.202   5.872
   64    HB3  PRO 685           HB3      PRO 685  -7.834   3.861   4.227
   65    HG2  PRO 685           HG2      PRO 685  -6.668   1.431   4.678
   66    HG3  PRO 685           HG3      PRO 685  -6.090   2.527   3.380
   67    HD2  PRO 685           HD2      PRO 685  -5.007   2.198   6.200
   68    HD3  PRO 685           HD3      PRO 685  -4.104   2.188   4.637
   69    H    GLN 686           H        GLN 686  -5.457   3.945   7.707
   70    HA   GLN 686           HA       GLN 686  -7.565   5.369   8.989
   71    HB2  GLN 686           HB2      GLN 686  -6.220   3.362   9.924
   72    HB3  GLN 686           HB3      GLN 686  -4.988   4.554  10.376
   73    HG2  GLN 686           HG2      GLN 686  -7.060   5.823  11.457
   74    HG3  GLN 686           HG3      GLN 686  -7.850   4.255  11.333
   75   HE21  GLN 686          HE22      GLN 686  -5.241   6.104  12.861
   76   HE22  GLN 686          HE21      GLN 686  -4.887   4.928  14.115
   77    H    VAL 687           H        VAL 687  -4.076   5.931   8.667
   78    HA   VAL 687           HA       VAL 687  -4.010   8.410  10.071
   79    HB   VAL 687           HB       VAL 687  -1.979   7.351   8.058
   80   HG11  VAL 687          HG11      VAL 687  -0.343   8.570   9.457
   81   HG12  VAL 687          HG12      VAL 687  -1.567   9.671   8.807
   82   HG13  VAL 687          HG13      VAL 687  -1.657   9.152  10.502
   83   HG21  VAL 687          HG21      VAL 687  -2.363   5.532   9.640
   84   HG22  VAL 687          HG22      VAL 687  -0.844   6.318  10.067
   85   HG23  VAL 687          HG23      VAL 687  -2.313   6.661  11.010
   86    H    PHE 688           H        PHE 688  -4.461   7.538   6.643
   87    HA   PHE 688           HA       PHE 688  -4.131  10.211   5.662
   88    HB2  PHE 688           HB2      PHE 688  -3.904   8.201   4.232
   89    HB3  PHE 688           HB3      PHE 688  -5.627   7.857   4.445
   90    HD1  PHE 688           HD1      PHE 688  -3.258  10.541   3.324
   91    HD2  PHE 688           HD2      PHE 688  -7.251   8.952   3.067
   92    HE1  PHE 688           HE1      PHE 688  -3.789  12.164   1.545
   93    HE2  PHE 688           HE2      PHE 688  -7.768  10.546   1.232
   94    HZ   PHE 688           HZ       PHE 688  -6.021  12.144   0.462
   95    H    TYR 689           H        TYR 689  -7.045   8.299   6.716
   96    HA   TYR 689           HA       TYR 689  -8.736  10.572   5.951
   97    HB2  TYR 689           HB2      TYR 689  -9.333   7.882   7.183
   98    HB3  TYR 689           HB3      TYR 689 -10.557   9.102   6.794
   99    HD1  TYR 689           HD1      TYR 689  -9.940  10.064   4.142
  100    HD2  TYR 689           HD2      TYR 689  -9.566   6.082   5.729
  101    HE1  TYR 689           HE1      TYR 689 -10.055   9.152   1.842
  102    HE2  TYR 689           HE2      TYR 689  -9.686   5.150   3.427
  103    HH   TYR 689           HH       TYR 689  -9.799   5.649   1.144
  104    H    GLU 690           H        GLU 690  -6.952   9.624   8.780
  105    HA   GLU 690           HA       GLU 690  -8.375  11.318  10.644
  106    HB2  GLU 690           HB2      GLU 690  -5.557  10.167  10.503
  107    HB3  GLU 690           HB3      GLU 690  -6.045  11.248  11.799
  108    HG2  GLU 690           HG2      GLU 690  -7.705   9.734  12.613
  109    HG3  GLU 690           HG3      GLU 690  -7.565   8.677  11.224
  110    H    LEU 691           H        LEU 691  -6.431  12.006   7.874
  111    HA   LEU 691           HA       LEU 691  -5.414  14.559   8.719
  112    HB2  LEU 691           HB2      LEU 691  -6.062  13.576   5.913
  113    HB3  LEU 691           HB3      LEU 691  -5.119  15.005   6.286
  114    HG   LEU 691           HG       LEU 691  -4.313  12.143   6.818
  115   HD11  LEU 691          HD11      LEU 691  -4.128  12.953   4.484
  116   HD12  LEU 691          HD12      LEU 691  -3.017  14.232   5.041
  117   HD13  LEU 691          HD13      LEU 691  -2.569  12.522   5.212
  118   HD21  LEU 691          HD21      LEU 691  -3.446  13.401   8.684
  119   HD22  LEU 691          HD22      LEU 691  -2.124  13.037   7.587
  120   HD23  LEU 691          HD23      LEU 691  -2.822  14.677   7.601
  121    HA   PRO 692           HA       PRO 692  -9.048  17.071   8.506
  122    HB2  PRO 692           HB2      PRO 692  -7.604  19.040   6.758
  123    HB3  PRO 692           HB3      PRO 692  -8.398  19.312   8.337
  124    HG2  PRO 692           HG2      PRO 692  -5.674  19.218   8.121
  125    HG3  PRO 692           HG3      PRO 692  -6.516  18.482   9.528
  126    HD2  PRO 692           HD2      PRO 692  -5.534  17.110   7.007
  127    HD3  PRO 692           HD3      PRO 692  -5.298  16.616   8.727
  128    H    GLU 693           H        GLU 693 -10.796  17.384   7.119
  129    HA   GLU 693           HA       GLU 693 -11.154  15.745   5.037
  130    HB2  GLU 693           HB2      GLU 693 -12.939  16.998   6.260
  131    HB3  GLU 693           HB3      GLU 693 -12.451  18.482   5.456
  132    HG2  GLU 693           HG2      GLU 693 -14.475  17.671   4.446
  133    HG3  GLU 693           HG3      GLU 693 -13.173  17.562   3.263
  134    H    ALA 694           H        ALA 694 -10.266  19.152   4.558
  135    HA   ALA 694           HA       ALA 694 -10.238  18.958   1.751
  136    HB1  ALA 694           HB1      ALA 694  -8.737  20.861   3.630
  137    HB2  ALA 694           HB2      ALA 694  -8.989  21.124   1.893
  138    HB3  ALA 694           HB3      ALA 694 -10.385  21.104   2.975
  139    H    VAL 695           H        VAL 695  -7.655  18.221   4.095
  140    HA   VAL 695           HA       VAL 695  -5.632  18.178   2.090
  141    HB   VAL 695           HB       VAL 695  -5.720  16.719   4.760
  142   HG11  VAL 695          HG11      VAL 695  -3.372  17.247   2.884
  143   HG12  VAL 695          HG12      VAL 695  -3.235  16.610   4.539
  144   HG13  VAL 695          HG13      VAL 695  -4.062  15.664   3.287
  145   HG21  VAL 695          HG21      VAL 695  -4.238  18.585   5.526
  146   HG22  VAL 695          HG22      VAL 695  -4.462  19.383   3.954
  147   HG23  VAL 695          HG23      VAL 695  -5.837  19.166   5.049
  148    H    GLN 696           H        GLN 696  -8.015  15.798   3.276
  149    HA   GLN 696           HA       GLN 696  -6.886  13.555   1.926
  150    HB2  GLN 696           HB2      GLN 696  -9.807  14.120   2.492
  151    HB3  GLN 696           HB3      GLN 696  -9.126  12.552   2.095
  152    HG2  GLN 696           HG2      GLN 696  -8.063  12.388   4.235
  153    HG3  GLN 696           HG3      GLN 696  -8.381  14.089   4.613
  154   HE21  GLN 696          HE22      GLN 696  -9.596  13.429   6.562
  155   HE22  GLN 696          HE21      GLN 696 -11.229  12.837   6.368
  156    H    LYS 697           H        LYS 697  -9.373  15.962   1.016
  157    HA   LYS 697           HA       LYS 697 -10.085  14.750  -1.493
  158    HB2  LYS 697           HB2      LYS 697 -10.470  17.487  -0.272
  159    HB3  LYS 697           HB3      LYS 697 -10.721  17.274  -1.992
  160    HG2  LYS 697           HG2      LYS 697 -12.814  17.101  -0.970
  161    HG3  LYS 697           HG3      LYS 697 -12.416  15.507  -1.591
  162    HD2  LYS 697           HD2      LYS 697 -12.104  16.357   1.299
  163    HD3  LYS 697           HD3      LYS 697 -13.610  15.732   0.640
  164    HE2  LYS 697           HE2      LYS 697 -12.559  13.582   0.087
  165    HE3  LYS 697           HE3      LYS 697 -11.022  14.144   0.763
  166    HZ1  LYS 697           HZ1      LYS 697 -12.181  14.373   2.927
  167    HZ2  LYS 697           HZ2      LYS 697 -13.543  13.934   2.332
  168    HZ3  LYS 697           HZ3      LYS 697 -12.266  12.849   2.451
  169    H    GLU 698           H        GLU 698  -7.888  17.497  -0.741
  170    HA   GLU 698           HA       GLU 698  -7.079  17.887  -3.390
  171    HB2  GLU 698           HB2      GLU 698  -5.971  18.699  -0.687
  172    HB3  GLU 698           HB3      GLU 698  -5.037  19.002  -2.146
  173    HG2  GLU 698           HG2      GLU 698  -6.276  20.966  -1.685
  174    HG3  GLU 698           HG3      GLU 698  -6.896  20.241  -3.166
  175    H    LEU 699           H        LEU 699  -5.604  15.783  -0.862
  176    HA   LEU 699           HA       LEU 699  -3.321  15.009  -2.454
  177    HB2  LEU 699           HB2      LEU 699  -4.822  13.842  -0.115
  178    HB3  LEU 699           HB3      LEU 699  -3.605  12.885  -0.915
  179    HG   LEU 699           HG       LEU 699  -3.130  14.401   1.247
  180   HD11  LEU 699          HD11      LEU 699  -0.710  14.297   0.650
  181   HD12  LEU 699          HD12      LEU 699  -1.608  12.792   0.443
  182   HD13  LEU 699          HD13      LEU 699  -1.189  13.772  -0.985
  183   HD21  LEU 699          HD21      LEU 699  -3.512  16.610   0.127
  184   HD22  LEU 699          HD22      LEU 699  -1.869  16.420   0.736
  185   HD23  LEU 699          HD23      LEU 699  -2.190  16.243  -0.999
  186    H    LEU 700           H        LEU 700  -6.656  13.646  -2.178
  187    HA   LEU 700           HA       LEU 700  -6.106  11.453  -3.956
  188    HB2  LEU 700           HB2      LEU 700  -8.643  12.916  -3.172
  189    HB3  LEU 700           HB3      LEU 700  -8.668  11.619  -4.357
  190    HG   LEU 700           HG       LEU 700  -7.506  11.220  -1.576
  191   HD11  LEU 700          HD11      LEU 700  -9.651  10.215  -0.937
  192   HD12  LEU 700          HD12      LEU 700  -9.856  11.923  -1.367
  193   HD13  LEU 700          HD13      LEU 700 -10.350  10.658  -2.518
  194   HD21  LEU 700          HD21      LEU 700  -7.958   8.825  -2.055
  195   HD22  LEU 700          HD22      LEU 700  -8.535   9.257  -3.682
  196   HD23  LEU 700          HD23      LEU 700  -6.842   9.511  -3.226
  197    H    ALA 701           H        ALA 701  -7.154  14.837  -4.573
  198    HA   ALA 701           HA       ALA 701  -7.452  14.426  -7.414
  199    HB1  ALA 701           HB1      ALA 701  -7.577  16.893  -7.475
  200    HB2  ALA 701           HB2      ALA 701  -8.580  16.259  -6.152
  201    HB3  ALA 701           HB3      ALA 701  -6.997  16.990  -5.803
  202    H    GLU 702           H        GLU 702  -4.725  15.594  -5.366
  203    HA   GLU 702           HA       GLU 702  -3.045  16.352  -7.530
  204    HB2  GLU 702           HB2      GLU 702  -2.730  17.200  -5.274
  205    HB3  GLU 702           HB3      GLU 702  -2.508  15.573  -4.635
  206    HG2  GLU 702           HG2      GLU 702  -0.385  16.718  -4.755
  207    HG3  GLU 702           HG3      GLU 702  -0.386  15.332  -5.825
  208    H    TRP 703           H        TRP 703  -3.324  13.261  -5.652
  209    HA   TRP 703           HA       TRP 703  -1.335  11.902  -7.207
  210    HB2  TRP 703           HB2      TRP 703  -3.768  10.827  -5.738
  211    HB3  TRP 703           HB3      TRP 703  -2.469   9.827  -6.381
  212    HD1  TRP 703           HD1      TRP 703  -0.058  11.802  -5.264
  213    HE1  TRP 703           HE1      TRP 703   0.463  11.701  -2.766
  214    HE3  TRP 703           HE3      TRP 703  -4.505   9.966  -3.643
  215    HZ2  TRP 703           HZ2      TRP 703  -0.866  10.765  -0.334
  216    HZ3  TRP 703           HZ3      TRP 703  -4.937   9.655  -1.245
  217    HH2  TRP 703           HH2      TRP 703  -3.096   9.943   0.413
  218    H    LYS 704           H        LYS 704  -4.925  12.283  -7.684
  219    HA   LYS 704           HA       LYS 704  -4.941  10.823 -10.080
  220    HB2  LYS 704           HB2      LYS 704  -6.944  11.618  -8.689
  221    HB3  LYS 704           HB3      LYS 704  -6.761  13.186  -9.473
  222    HG2  LYS 704           HG2      LYS 704  -8.499  11.953 -10.573
  223    HG3  LYS 704           HG3      LYS 704  -7.162  12.086 -11.694
  224    HD2  LYS 704           HD2      LYS 704  -6.886   9.634 -10.105
  225    HD3  LYS 704           HD3      LYS 704  -8.517   9.750 -10.745
  226    HE2  LYS 704           HE2      LYS 704  -7.151   8.481 -12.281
  227    HE3  LYS 704           HE3      LYS 704  -7.625  10.004 -13.057
  228    HZ1  LYS 704           HZ1      LYS 704  -5.183   9.339 -13.292
  229    HZ2  LYS 704           HZ2      LYS 704  -5.373  10.837 -12.614
  230    HZ3  LYS 704           HZ3      LYS 704  -4.999   9.499 -11.761
  231    H    ARG 705           H        ARG 705  -3.789  14.096  -9.551
  232    HA   ARG 705           HA       ARG 705  -3.773  14.933 -12.312
  233    HB2  ARG 705           HB2      ARG 705  -3.480  16.274 -10.008
  234    HB3  ARG 705           HB3      ARG 705  -1.796  15.767 -10.193
  235    HG2  ARG 705           HG2      ARG 705  -1.944  16.921 -12.547
  236    HG3  ARG 705           HG3      ARG 705  -3.454  17.594 -11.980
  237    HD2  ARG 705           HD2      ARG 705  -1.420  19.102 -11.720
  238    HD3  ARG 705           HD3      ARG 705  -2.384  18.846 -10.261
  239    HE   ARG 705           HE       ARG 705  -0.607  18.094  -9.198
  240   HH11  ARG 705          HH11      ARG 705  -0.138  16.858 -12.516
  241   HH12  ARG 705          HH12      ARG 705   1.339  16.076 -12.114
  242   HH21  ARG 705          HH21      ARG 705   1.246  17.014  -8.721
  243   HH22  ARG 705          HH22      ARG 705   1.664  15.733  -9.769
  244    H    THR 706           H        THR 706  -1.885  12.554 -10.654
  245    HA   THR 706           HA       THR 706   0.312  12.822 -12.633
  246    HB   THR 706           HB       THR 706   1.042  12.019  -9.852
  247    HG1  THR 706           HG1      THR 706  -0.313  13.799  -9.301
  248   HG21  THR 706          HG21      THR 706   2.691  12.469 -11.697
  249   HG22  THR 706          HG22      THR 706   2.084  14.149 -11.771
  250   HG23  THR 706          HG23      THR 706   2.912  13.559 -10.309
  251    H    GLY 707           H        GLY 707  -1.880  10.650 -11.029
  252    HA2  GLY 707           HA2      GLY 707  -0.941   8.512 -12.779
  253    HA3  GLY 707           HA3      GLY 707  -1.024   8.164 -11.021
  Start of MODEL   16
    1    H1   GLY  -3           H1       GLY  -3   0.286   9.835  -8.920
    2    H2   GLY  -3           H2       GLY  -3  -0.737   8.971  -9.855
    3    H3   GLY  -3           H3       GLY  -3  -1.319   9.681  -8.501
    4    HA2  GLY  -3           HA2      GLY  -3   0.556   7.434  -8.707
    5    HA3  GLY  -3           HA3      GLY  -3   0.169   8.260  -7.163
    6    H    HIS  -2           H        HIS  -2  -1.107   6.197  -9.747
    7    HA   HIS  -2           HA       HIS  -2  -3.790   6.196  -8.761
    8    HB2  HIS  -2           HB2      HIS  -2  -2.307   4.474 -10.773
    9    HB3  HIS  -2           HB3      HIS  -2  -4.016   4.248 -10.405
   10    HD1  HIS  -2           HD1      HIS  -2  -1.793   7.252 -11.603
   11    HD2  HIS  -2           HD2      HIS  -2  -5.709   5.696 -11.706
   12    HE1  HIS  -2           HE1      HIS  -2  -3.162   8.874 -12.973
   13    H    MET  -1           H        MET  -1  -1.878   5.489  -6.646
   14    HA   MET  -1           HA       MET  -1  -3.469   3.537  -5.363
   15    HB2  MET  -1           HB2      MET  -1  -1.981   1.939  -6.496
   16    HB3  MET  -1           HB3      MET  -1  -0.550   2.842  -5.988
   17    HG2  MET  -1           HG2      MET  -1  -0.958   0.762  -4.683
   18    HG3  MET  -1           HG3      MET  -1  -0.847   2.211  -3.708
   19    HE1  MET  -1           HE1      MET  -1  -1.805   1.244  -1.579
   20    HE2  MET  -1           HE2      MET  -1  -3.235   0.188  -1.505
   21    HE3  MET  -1           HE3      MET  -1  -1.782  -0.342  -2.380
   22    H    PHE 679           H        PHE 679  -2.984   3.727  -3.023
   23    HA   PHE 679           HA       PHE 679  -2.072   6.248  -2.066
   24    HB2  PHE 679           HB2      PHE 679  -2.894   3.623  -0.942
   25    HB3  PHE 679           HB3      PHE 679  -1.606   4.343  -0.022
   26    HD1  PHE 679           HD2      PHE 679  -2.188   7.235   0.044
   27    HD2  PHE 679           HD1      PHE 679  -4.813   3.812   0.439
   28    HE1  PHE 679           HE2      PHE 679  -3.656   8.526   1.511
   29    HE2  PHE 679           HE1      PHE 679  -6.295   5.179   1.966
   30    HZ   PHE 679           HZ       PHE 679  -5.715   7.451   2.485
   31    HA   PRO 680           HA       PRO 680   2.407   5.488  -2.526
   32    HB2  PRO 680           HB2      PRO 680   2.510   7.389  -0.197
   33    HB3  PRO 680           HB3      PRO 680   3.534   7.360  -1.661
   34    HG2  PRO 680           HG2      PRO 680   1.512   9.140  -1.431
   35    HG3  PRO 680           HG3      PRO 680   1.753   8.273  -2.988
   36    HD2  PRO 680           HD2      PRO 680  -0.229   7.679  -0.785
   37    HD3  PRO 680           HD3      PRO 680  -0.487   7.697  -2.563
   38    H    SER 681           H        SER 681   0.592   5.231   0.480
   39    HA   SER 681           HA       SER 681   0.555   3.724   2.113
   40    HB2  SER 681           HB2      SER 681   2.404   2.020   0.419
   41    HB3  SER 681           HB3      SER 681   1.367   1.487   1.751
   42    HG   SER 681           HG       SER 681   0.531   2.636  -0.721
   43    H    ASP 682           H        ASP 682   2.786   5.804   1.923
   44    HA   ASP 682           HA       ASP 682   4.766   4.847   3.864
   45    HB2  ASP 682           HB2      ASP 682   5.543   7.167   3.779
   46    HB3  ASP 682           HB3      ASP 682   5.382   6.543   2.142
   47    H    ILE 683           H        ILE 683   1.922   6.886   3.552
   48    HA   ILE 683           HA       ILE 683   1.350   7.160   6.391
   49    HB   ILE 683           HB       ILE 683  -0.796   8.125   5.439
   50   HG12  ILE 683          HG12      ILE 683   0.366   7.280   2.782
   51   HG13  ILE 683          HG13      ILE 683  -1.249   7.096   3.431
   52   HG21  ILE 683          HG21      ILE 683   1.242   9.448   6.005
   53   HG22  ILE 683          HG22      ILE 683   1.720   9.376   4.291
   54   HG23  ILE 683          HG23      ILE 683   0.213  10.193   4.782
   55   HD11  ILE 683          HD11      ILE 683   0.019   9.676   2.432
   56   HD12  ILE 683          HD12      ILE 683  -1.225   8.694   1.650
   57   HD13  ILE 683          HD13      ILE 683  -1.587   9.547   3.172
   58    H    ASP 684           H        ASP 684  -0.111   5.983   7.523
   59    HA   ASP 684           HA       ASP 684  -1.091   3.440   6.428
   60    HB2  ASP 684           HB2      ASP 684  -0.457   3.460   8.759
   61    HB3  ASP 684           HB3      ASP 684  -1.430   4.905   9.069
   62    HA   PRO 685           HA       PRO 685  -4.519   5.459   4.567
   63    HB2  PRO 685           HB2      PRO 685  -6.366   3.242   5.421
   64    HB3  PRO 685           HB3      PRO 685  -6.027   3.839   3.773
   65    HG2  PRO 685           HG2      PRO 685  -5.005   1.482   4.624
   66    HG3  PRO 685           HG3      PRO 685  -3.985   2.614   3.670
   67    HD2  PRO 685           HD2      PRO 685  -4.164   2.370   6.698
   68    HD3  PRO 685           HD3      PRO 685  -2.678   2.273   5.680
   69    H    GLN 686           H        GLN 686  -5.058   4.158   7.894
   70    HA   GLN 686           HA       GLN 686  -7.480   5.670   8.273
   71    HB2  GLN 686           HB2      GLN 686  -6.739   3.619   9.658
   72    HB3  GLN 686           HB3      GLN 686  -5.621   4.721  10.488
   73    HG2  GLN 686           HG2      GLN 686  -7.684   6.244  10.872
   74    HG3  GLN 686           HG3      GLN 686  -8.650   4.871  10.337
   75   HE21  GLN 686          HE22      GLN 686  -6.442   6.105  12.836
   76   HE22  GLN 686          HE21      GLN 686  -6.867   4.907  14.057
   77    H    VAL 687           H        VAL 687  -3.999   6.079   9.060
   78    HA   VAL 687           HA       VAL 687  -4.294   8.545  10.420
   79    HB   VAL 687           HB       VAL 687  -1.889   7.470   8.876
   80   HG11  VAL 687          HG11      VAL 687  -1.586   9.866   9.372
   81   HG12  VAL 687          HG12      VAL 687  -2.026   9.588  11.071
   82   HG13  VAL 687          HG13      VAL 687  -0.534   8.888  10.402
   83   HG21  VAL 687          HG21      VAL 687  -2.666   7.265  11.834
   84   HG22  VAL 687          HG22      VAL 687  -2.697   5.925  10.691
   85   HG23  VAL 687          HG23      VAL 687  -1.146   6.661  11.125
   86    H    PHE 688           H        PHE 688  -3.827   7.850   6.903
   87    HA   PHE 688           HA       PHE 688  -3.769  10.578   6.109
   88    HB2  PHE 688           HB2      PHE 688  -3.246   8.743   4.564
   89    HB3  PHE 688           HB3      PHE 688  -4.911   8.167   4.654
   90    HD1  PHE 688           HD1      PHE 688  -2.897  11.213   3.821
   91    HD2  PHE 688           HD2      PHE 688  -6.655   9.170   3.312
   92    HE1  PHE 688           HE1      PHE 688  -3.551  12.831   2.095
   93    HE2  PHE 688           HE2      PHE 688  -7.270  10.746   1.503
   94    HZ   PHE 688           HZ       PHE 688  -5.687  12.567   0.863
   95    H    TYR 689           H        TYR 689  -6.601   8.359   6.611
   96    HA   TYR 689           HA       TYR 689  -8.425  10.438   5.718
   97    HB2  TYR 689           HB2      TYR 689  -8.749   7.686   6.920
   98    HB3  TYR 689           HB3      TYR 689 -10.127   8.735   6.530
   99    HD1  TYR 689           HD1      TYR 689  -9.747   9.791   3.929
  100    HD2  TYR 689           HD2      TYR 689  -8.554   5.936   5.434
  101    HE1  TYR 689           HE1      TYR 689  -9.743   8.898   1.625
  102    HE2  TYR 689           HE2      TYR 689  -8.495   5.036   3.132
  103    HH   TYR 689           HH       TYR 689  -9.385   7.018   0.281
  104    H    GLU 690           H        GLU 690  -6.916   9.740   8.792
  105    HA   GLU 690           HA       GLU 690  -8.750  11.309  10.390
  106    HB2  GLU 690           HB2      GLU 690  -5.856  10.419  10.725
  107    HB3  GLU 690           HB3      GLU 690  -6.671  11.424  11.918
  108    HG2  GLU 690           HG2      GLU 690  -8.309   9.729  12.394
  109    HG3  GLU 690           HG3      GLU 690  -7.794   8.731  11.052
  110    H    LEU 691           H        LEU 691  -6.534  12.193   7.906
  111    HA   LEU 691           HA       LEU 691  -5.879  14.817   8.878
  112    HB2  LEU 691           HB2      LEU 691  -6.150  13.780   6.026
  113    HB3  LEU 691           HB3      LEU 691  -5.479  15.342   6.439
  114    HG   LEU 691           HG       LEU 691  -4.248  12.656   7.164
  115   HD11  LEU 691          HD11      LEU 691  -4.073  13.427   4.789
  116   HD12  LEU 691          HD12      LEU 691  -3.232  14.890   5.353
  117   HD13  LEU 691          HD13      LEU 691  -2.507  13.288   5.606
  118   HD21  LEU 691          HD21      LEU 691  -3.265  15.454   7.846
  119   HD22  LEU 691          HD22      LEU 691  -3.744  14.174   8.992
  120   HD23  LEU 691          HD23      LEU 691  -2.309  13.955   7.994
  121    HA   PRO 692           HA       PRO 692  -9.701  16.970   8.421
  122    HB2  PRO 692           HB2      PRO 692  -8.338  19.111   6.803
  123    HB3  PRO 692           HB3      PRO 692  -9.268  19.269   8.321
  124    HG2  PRO 692           HG2      PRO 692  -6.543  19.447   8.301
  125    HG3  PRO 692           HG3      PRO 692  -7.410  18.618   9.636
  126    HD2  PRO 692           HD2      PRO 692  -6.090  17.375   7.204
  127    HD3  PRO 692           HD3      PRO 692  -5.971  16.872   8.933
  128    H    GLU 693           H        GLU 693 -11.358  17.006   6.951
  129    HA   GLU 693           HA       GLU 693 -11.393  15.491   4.775
  130    HB2  GLU 693           HB2      GLU 693 -13.366  16.460   5.956
  131    HB3  GLU 693           HB3      GLU 693 -13.012  18.039   5.271
  132    HG2  GLU 693           HG2      GLU 693 -14.911  17.045   4.135
  133    HG3  GLU 693           HG3      GLU 693 -13.559  17.229   3.010
  134    H    ALA 694           H        ALA 694 -10.882  19.007   4.532
  135    HA   ALA 694           HA       ALA 694 -10.616  18.930   1.712
  136    HB1  ALA 694           HB1      ALA 694  -9.783  21.260   1.975
  137    HB2  ALA 694           HB2      ALA 694 -11.230  20.972   2.965
  138    HB3  ALA 694           HB3      ALA 694  -9.616  20.996   3.730
  139    H    VAL 695           H        VAL 695  -8.182  18.332   4.189
  140    HA   VAL 695           HA       VAL 695  -5.986  18.771   2.362
  141    HB   VAL 695           HB       VAL 695  -6.135  17.229   4.985
  142   HG11  VAL 695          HG11      VAL 695  -4.274  16.332   3.672
  143   HG12  VAL 695          HG12      VAL 695  -3.684  17.969   3.336
  144   HG13  VAL 695          HG13      VAL 695  -3.646  17.332   4.995
  145   HG21  VAL 695          HG21      VAL 695  -4.937  19.180   5.938
  146   HG22  VAL 695          HG22      VAL 695  -5.014  19.998   4.359
  147   HG23  VAL 695          HG23      VAL 695  -6.497  19.663   5.268
  148    H    GLN 696           H        GLN 696  -8.153  16.114   3.306
  149    HA   GLN 696           HA       GLN 696  -6.563  14.004   2.171
  150    HB2  GLN 696           HB2      GLN 696  -9.586  14.178   2.458
  151    HB3  GLN 696           HB3      GLN 696  -8.686  12.726   2.065
  152    HG2  GLN 696           HG2      GLN 696  -7.808  12.589   4.305
  153    HG3  GLN 696           HG3      GLN 696  -8.440  14.196   4.702
  154   HE21  GLN 696          HE22      GLN 696  -9.718  13.206   6.451
  155   HE22  GLN 696          HE21      GLN 696 -11.196  12.360   6.076
  156    H    LYS 697           H        LYS 697  -9.288  16.012   1.141
  157    HA   LYS 697           HA       LYS 697  -9.772  14.886  -1.383
  158    HB2  LYS 697           HB2      LYS 697 -10.442  17.364   0.113
  159    HB3  LYS 697           HB3      LYS 697 -10.465  17.549  -1.640
  160    HG2  LYS 697           HG2      LYS 697 -12.650  16.993  -1.094
  161    HG3  LYS 697           HG3      LYS 697 -11.986  15.514  -1.778
  162    HD2  LYS 697           HD2      LYS 697 -12.360  16.105   1.181
  163    HD3  LYS 697           HD3      LYS 697 -13.528  15.266   0.176
  164    HE2  LYS 697           HE2      LYS 697 -11.948  13.426  -0.238
  165    HE3  LYS 697           HE3      LYS 697 -10.746  14.214   0.784
  166    HZ1  LYS 697           HZ1      LYS 697 -12.316  13.992   2.665
  167    HZ2  LYS 697           HZ2      LYS 697 -13.402  13.341   1.789
  168    HZ3  LYS 697           HZ3      LYS 697 -11.939  12.543   2.096
  169    H    GLU 698           H        GLU 698  -7.527  17.629  -0.552
  170    HA   GLU 698           HA       GLU 698  -6.799  17.981  -3.281
  171    HB2  GLU 698           HB2      GLU 698  -6.230  19.241  -0.785
  172    HB3  GLU 698           HB3      GLU 698  -4.665  18.791  -1.456
  173    HG2  GLU 698           HG2      GLU 698  -6.848  20.420  -2.831
  174    HG3  GLU 698           HG3      GLU 698  -5.322  21.040  -2.199
  175    H    LEU 699           H        LEU 699  -5.154  16.019  -0.666
  176    HA   LEU 699           HA       LEU 699  -3.070  15.039  -2.339
  177    HB2  LEU 699           HB2      LEU 699  -4.472  14.245   0.197
  178    HB3  LEU 699           HB3      LEU 699  -3.475  13.028  -0.581
  179    HG   LEU 699           HG       LEU 699  -2.442  14.411   1.249
  180   HD11  LEU 699          HD11      LEU 699  -1.116  13.012  -0.158
  181   HD12  LEU 699          HD12      LEU 699  -1.056  14.232  -1.445
  182   HD13  LEU 699          HD13      LEU 699  -0.225  14.513   0.107
  183   HD21  LEU 699          HD21      LEU 699  -3.198  16.644   0.622
  184   HD22  LEU 699          HD22      LEU 699  -1.435  16.557   0.758
  185   HD23  LEU 699          HD23      LEU 699  -2.194  16.590  -0.843
  186    H    LEU 700           H        LEU 700  -6.422  13.910  -1.959
  187    HA   LEU 700           HA       LEU 700  -6.037  11.514  -3.538
  188    HB2  LEU 700           HB2      LEU 700  -8.497  13.138  -2.792
  189    HB3  LEU 700           HB3      LEU 700  -8.586  11.636  -3.699
  190    HG   LEU 700           HG       LEU 700  -7.216  11.736  -0.977
  191   HD11  LEU 700          HD11      LEU 700  -9.337  11.005   0.041
  192   HD12  LEU 700          HD12      LEU 700  -9.498  12.611  -0.672
  193   HD13  LEU 700          HD13      LEU 700 -10.171  11.198  -1.520
  194   HD21  LEU 700          HD21      LEU 700  -6.826   9.720  -2.359
  195   HD22  LEU 700          HD22      LEU 700  -7.743   9.367  -0.890
  196   HD23  LEU 700          HD23      LEU 700  -8.576   9.460  -2.462
  197    H    ALA 701           H        ALA 701  -6.974  14.899  -4.268
  198    HA   ALA 701           HA       ALA 701  -7.441  14.454  -7.071
  199    HB1  ALA 701           HB1      ALA 701  -8.301  16.439  -5.855
  200    HB2  ALA 701           HB2      ALA 701  -6.633  17.006  -5.607
  201    HB3  ALA 701           HB3      ALA 701  -7.295  16.894  -7.245
  202    H    GLU 702           H        GLU 702  -4.547  15.334  -5.116
  203    HA   GLU 702           HA       GLU 702  -2.779  15.693  -7.249
  204    HB2  GLU 702           HB2      GLU 702  -2.317  16.322  -4.873
  205    HB3  GLU 702           HB3      GLU 702  -2.146  14.616  -4.469
  206    HG2  GLU 702           HG2      GLU 702   0.049  15.601  -4.747
  207    HG3  GLU 702           HG3      GLU 702  -0.221  14.418  -6.029
  208    H    TRP 703           H        TRP 703  -3.325  12.740  -5.272
  209    HA   TRP 703           HA       TRP 703  -1.725  11.064  -6.903
  210    HB2  TRP 703           HB2      TRP 703  -4.050  10.548  -5.014
  211    HB3  TRP 703           HB3      TRP 703  -3.090   9.249  -5.703
  212    HD1  TRP 703           HD1      TRP 703  -0.216  10.879  -5.227
  213    HE1  TRP 703           HE1      TRP 703   0.699  11.035  -2.847
  214    HE3  TRP 703           HE3      TRP 703  -4.521   9.931  -2.678
  215    HZ2  TRP 703           HZ2      TRP 703  -0.311  10.719  -0.141
  216    HZ3  TRP 703           HZ3      TRP 703  -4.560  10.019  -0.198
  217    HH2  TRP 703           HH2      TRP 703  -2.468  10.462   1.057
  218    H    LYS 704           H        LYS 704  -5.059  12.200  -7.409
  219    HA   LYS 704           HA       LYS 704  -5.444  10.304  -9.576
  220    HB2  LYS 704           HB2      LYS 704  -7.326  11.193  -8.189
  221    HB3  LYS 704           HB3      LYS 704  -6.985  12.811  -8.790
  222    HG2  LYS 704           HG2      LYS 704  -8.870  12.122  -9.941
  223    HG3  LYS 704           HG3      LYS 704  -7.598  11.990 -11.127
  224    HD2  LYS 704           HD2      LYS 704  -8.836   9.700  -9.524
  225    HD3  LYS 704           HD3      LYS 704  -9.260  10.131 -11.173
  226    HE2  LYS 704           HE2      LYS 704  -6.605   8.972 -10.228
  227    HE3  LYS 704           HE3      LYS 704  -7.862   8.149 -11.142
  228    HZ1  LYS 704           HZ1      LYS 704  -7.423   9.693 -12.989
  229    HZ2  LYS 704           HZ2      LYS 704  -6.203  10.396 -12.115
  230    HZ3  LYS 704           HZ3      LYS 704  -6.082   8.838 -12.547
  231    H    ARG 705           H        ARG 705  -4.223  13.695  -9.387
  232    HA   ARG 705           HA       ARG 705  -4.391  13.919 -12.313
  233    HB2  ARG 705           HB2      ARG 705  -3.388  16.083 -12.095
  234    HB3  ARG 705           HB3      ARG 705  -4.748  15.895 -10.964
  235    HG2  ARG 705           HG2      ARG 705  -2.908  15.408  -9.232
  236    HG3  ARG 705           HG3      ARG 705  -1.799  16.168 -10.367
  237    HD2  ARG 705           HD2      ARG 705  -3.144  18.236 -10.320
  238    HD3  ARG 705           HD3      ARG 705  -4.390  17.424  -9.354
  239    HE   ARG 705           HE       ARG 705  -1.658  17.605  -8.222
  240   HH11  ARG 705          HH11      ARG 705  -5.100  18.540  -7.962
  241   HH12  ARG 705          HH12      ARG 705  -4.912  19.185  -6.363
  242   HH21  ARG 705          HH21      ARG 705  -1.466  18.560  -6.127
  243   HH22  ARG 705          HH22      ARG 705  -2.889  19.239  -5.339
  244    H    THR 706           H        THR 706  -1.977  12.929  -9.964
  245    HA   THR 706           HA       THR 706   0.134  12.932 -12.012
  246    HB   THR 706           HB       THR 706   1.444  11.879 -10.104
  247    HG1  THR 706           HG1      THR 706  -0.715  12.686  -8.485
  248   HG21  THR 706          HG21      THR 706   1.489  14.043  -8.777
  249   HG22  THR 706          HG22      THR 706   1.646  14.243 -10.532
  250   HG23  THR 706          HG23      THR 706   0.104  14.593  -9.737
  251    H    GLY 707           H        GLY 707   1.206  11.006 -12.648
  252    HA2  GLY 707           HA2      GLY 707  -0.410   8.673 -13.236
  253    HA3  GLY 707           HA3      GLY 707   1.364   8.816 -13.390
  Start of MODEL   17
    1    H1   GLY  -3           H1       GLY  -3   1.499   2.546   5.067
    2    H2   GLY  -3           H2       GLY  -3   2.752   1.477   4.950
    3    H3   GLY  -3           H3       GLY  -3   2.970   3.084   4.603
    4    HA2  GLY  -3           HA2      GLY  -3   1.306   2.857   2.799
    5    HA3  GLY  -3           HA3      GLY  -3   2.870   2.068   2.541
    6    H    HIS  -2           H        HIS  -2  -0.539   1.514   3.312
    7    HA   HIS  -2           HA       HIS  -2  -0.122  -1.420   2.852
    8    HB2  HIS  -2           HB2      HIS  -2  -2.117  -0.366   4.850
    9    HB3  HIS  -2           HB3      HIS  -2  -1.393  -1.963   4.738
   10    HD1  HIS  -2           HD1      HIS  -2  -1.332   0.670   7.106
   11    HD2  HIS  -2           HD2      HIS  -2   1.681  -1.404   4.985
   12    HE1  HIS  -2           HE1      HIS  -2   0.869   1.205   8.250
   13    H    MET  -1           H        MET  -1  -1.590   1.237   1.594
   14    HA   MET  -1           HA       MET  -1  -3.375  -0.034  -0.112
   15    HB2  MET  -1           HB2      MET  -1  -4.906  -0.383   1.751
   16    HB3  MET  -1           HB3      MET  -1  -4.734   1.285   2.292
   17    HG2  MET  -1           HG2      MET  -1  -5.795   0.653  -0.474
   18    HG3  MET  -1           HG3      MET  -1  -6.837   0.508   0.942
   19    HE1  MET  -1           HE1      MET  -1  -8.476   2.183  -0.427
   20    HE2  MET  -1           HE2      MET  -1  -7.989   3.826  -0.909
   21    HE3  MET  -1           HE3      MET  -1  -7.252   2.413  -1.703
   22    H    PHE 679           H        PHE 679  -2.883   2.850   1.870
   23    HA   PHE 679           HA       PHE 679  -2.890   4.723  -0.370
   24    HB2  PHE 679           HB2      PHE 679  -2.411   4.821   2.632
   25    HB3  PHE 679           HB3      PHE 679  -1.893   6.154   1.633
   26    HD1  PHE 679           HD2      PHE 679  -3.468   7.535   0.322
   27    HD2  PHE 679           HD1      PHE 679  -4.824   4.488   3.050
   28    HE1  PHE 679           HE2      PHE 679  -5.791   8.364   0.112
   29    HE2  PHE 679           HE1      PHE 679  -7.137   5.441   2.952
   30    HZ   PHE 679           HZ       PHE 679  -7.625   7.302   1.400
   31    HA   PRO 680           HA       PRO 680   1.455   4.799  -1.563
   32    HB2  PRO 680           HB2      PRO 680   1.639   7.344   0.084
   33    HB3  PRO 680           HB3      PRO 680   2.436   6.967  -1.478
   34    HG2  PRO 680           HG2      PRO 680   0.120   8.370  -1.387
   35    HG3  PRO 680           HG3      PRO 680   0.378   7.131  -2.658
   36    HD2  PRO 680           HD2      PRO 680  -1.373   7.018  -0.265
   37    HD3  PRO 680           HD3      PRO 680  -1.524   6.172  -1.820
   38    H    SER 681           H        SER 681   3.675   4.660  -0.840
   39    HA   SER 681           HA       SER 681   4.084   2.715   0.884
   40    HB2  SER 681           HB2      SER 681   6.127   4.881   0.339
   41    HB3  SER 681           HB3      SER 681   6.421   3.157   0.637
   42    HG   SER 681           HG       SER 681   6.462   3.617  -1.601
   43    H    ASP 682           H        ASP 682   4.122   6.156   2.013
   44    HA   ASP 682           HA       ASP 682   5.024   5.334   4.682
   45    HB2  ASP 682           HB2      ASP 682   4.882   7.681   5.217
   46    HB3  ASP 682           HB3      ASP 682   5.797   7.461   3.728
   47    H    ILE 683           H        ILE 683   2.108   6.956   3.378
   48    HA   ILE 683           HA       ILE 683   0.711   6.790   5.772
   49    HB   ILE 683           HB       ILE 683  -1.343   7.178   3.980
   50   HG12  ILE 683          HG12      ILE 683   1.100   8.331   2.632
   51   HG13  ILE 683          HG13      ILE 683   0.183   6.926   2.059
   52   HG21  ILE 683          HG21      ILE 683   0.618   9.324   4.815
   53   HG22  ILE 683          HG22      ILE 683  -1.086   9.529   4.373
   54   HG23  ILE 683          HG23      ILE 683  -0.677   8.664   5.866
   55   HD11  ILE 683          HD11      ILE 683  -0.746   9.835   2.232
   56   HD12  ILE 683          HD12      ILE 683  -0.544   8.818   0.812
   57   HD13  ILE 683          HD13      ILE 683  -1.858   8.475   1.960
   58    H    ASP 684           H        ASP 684  -1.575   6.109   5.913
   59    HA   ASP 684           HA       ASP 684  -2.114   3.273   5.399
   60    HB2  ASP 684           HB2      ASP 684  -0.734   3.237   7.422
   61    HB3  ASP 684           HB3      ASP 684  -1.595   4.627   8.088
   62    HA   PRO 685           HA       PRO 685  -5.923   5.414   4.956
   63    HB2  PRO 685           HB2      PRO 685  -7.515   3.277   6.332
   64    HB3  PRO 685           HB3      PRO 685  -7.675   3.875   4.655
   65    HG2  PRO 685           HG2      PRO 685  -6.560   1.438   5.182
   66    HG3  PRO 685           HG3      PRO 685  -5.880   2.505   3.911
   67    HD2  PRO 685           HD2      PRO 685  -5.015   2.264   6.810
   68    HD3  PRO 685           HD3      PRO 685  -3.976   2.104   5.339
   69    H    GLN 686           H        GLN 686  -5.282   4.124   8.244
   70    HA   GLN 686           HA       GLN 686  -7.335   5.685   9.477
   71    HB2  GLN 686           HB2      GLN 686  -6.281   3.701  10.511
   72    HB3  GLN 686           HB3      GLN 686  -4.750   4.563  10.671
   73    HG2  GLN 686           HG2      GLN 686  -7.235   5.790  11.866
   74    HG3  GLN 686           HG3      GLN 686  -6.515   4.389  12.649
   75   HE21  GLN 686          HE22      GLN 686  -5.977   7.839  11.874
   76   HE22  GLN 686          HE21      GLN 686  -4.706   8.074  13.013
   77    H    VAL 687           H        VAL 687  -3.833   6.115   8.944
   78    HA   VAL 687           HA       VAL 687  -3.627   8.690  10.175
   79    HB   VAL 687           HB       VAL 687  -1.822   7.475   8.000
   80   HG11  VAL 687          HG11      VAL 687  -1.285   9.565  10.167
   81   HG12  VAL 687          HG12      VAL 687  -0.068   8.865   9.071
   82   HG13  VAL 687          HG13      VAL 687  -1.375   9.867   8.420
   83   HG21  VAL 687          HG21      VAL 687  -0.460   6.652   9.947
   84   HG22  VAL 687          HG22      VAL 687  -1.726   7.205  11.062
   85   HG23  VAL 687          HG23      VAL 687  -2.049   5.886   9.922
   86    H    PHE 688           H        PHE 688  -4.321   7.612   6.836
   87    HA   PHE 688           HA       PHE 688  -4.112  10.204   5.694
   88    HB2  PHE 688           HB2      PHE 688  -4.020   8.072   4.401
   89    HB3  PHE 688           HB3      PHE 688  -5.748   7.833   4.707
   90    HD1  PHE 688           HD1      PHE 688  -3.259  10.222   3.288
   91    HD2  PHE 688           HD2      PHE 688  -7.397   9.016   3.375
   92    HE1  PHE 688           HE1      PHE 688  -3.762  11.809   1.464
   93    HE2  PHE 688           HE2      PHE 688  -7.873  10.536   1.449
   94    HZ   PHE 688           HZ       PHE 688  -6.043  11.931   0.504
   95    H    TYR 689           H        TYR 689  -6.957   8.430   7.066
   96    HA   TYR 689           HA       TYR 689  -8.697  10.658   6.295
   97    HB2  TYR 689           HB2      TYR 689  -9.145   8.116   7.869
   98    HB3  TYR 689           HB3      TYR 689 -10.409   9.310   7.516
   99    HD1  TYR 689           HD1      TYR 689 -10.250  10.020   4.796
  100    HD2  TYR 689           HD2      TYR 689  -9.478   6.183   6.566
  101    HE1  TYR 689           HE1      TYR 689 -10.724   8.955   2.627
  102    HE2  TYR 689           HE2      TYR 689  -9.947   5.084   4.385
  103    HH   TYR 689           HH       TYR 689 -10.863   6.936   1.469
  104    H    GLU 690           H        GLU 690  -6.650   9.999   9.025
  105    HA   GLU 690           HA       GLU 690  -7.959  11.768  10.893
  106    HB2  GLU 690           HB2      GLU 690  -6.153  10.020  11.335
  107    HB3  GLU 690           HB3      GLU 690  -4.989  11.119  10.600
  108    HG2  GLU 690           HG2      GLU 690  -5.543  12.811  12.357
  109    HG3  GLU 690           HG3      GLU 690  -6.650  11.652  13.098
  110    H    LEU 691           H        LEU 691  -6.067  12.239   7.984
  111    HA   LEU 691           HA       LEU 691  -5.283  14.943   8.432
  112    HB2  LEU 691           HB2      LEU 691  -5.966  13.618   5.786
  113    HB3  LEU 691           HB3      LEU 691  -5.050  15.099   5.987
  114    HG   LEU 691           HG       LEU 691  -4.161  12.299   6.755
  115   HD11  LEU 691          HD11      LEU 691  -3.009  14.268   4.753
  116   HD12  LEU 691          HD12      LEU 691  -2.445  12.613   5.081
  117   HD13  LEU 691          HD13      LEU 691  -4.044  12.869   4.365
  118   HD21  LEU 691          HD21      LEU 691  -2.679  14.918   7.239
  119   HD22  LEU 691          HD22      LEU 691  -3.269  13.782   8.477
  120   HD23  LEU 691          HD23      LEU 691  -1.980  13.288   7.386
  121    HA   PRO 692           HA       PRO 692  -9.125  17.099   8.190
  122    HB2  PRO 692           HB2      PRO 692  -7.869  19.053   6.273
  123    HB3  PRO 692           HB3      PRO 692  -8.695  19.377   7.823
  124    HG2  PRO 692           HG2      PRO 692  -5.975  19.494   7.629
  125    HG3  PRO 692           HG3      PRO 692  -6.761  18.790   9.077
  126    HD2  PRO 692           HD2      PRO 692  -5.606  17.346   6.677
  127    HD3  PRO 692           HD3      PRO 692  -5.395  16.987   8.428
  128    H    GLU 693           H        GLU 693 -10.944  17.170   6.854
  129    HA   GLU 693           HA       GLU 693 -11.207  15.471   4.794
  130    HB2  GLU 693           HB2      GLU 693 -13.065  16.547   6.037
  131    HB3  GLU 693           HB3      GLU 693 -12.706  18.089   5.275
  132    HG2  GLU 693           HG2      GLU 693 -14.684  17.141   4.281
  133    HG3  GLU 693           HG3      GLU 693 -13.399  17.217   3.079
  134    H    ALA 694           H        ALA 694 -10.584  18.952   4.295
  135    HA   ALA 694           HA       ALA 694 -10.569  18.660   1.474
  136    HB1  ALA 694           HB1      ALA 694  -9.322  20.838   3.210
  137    HB2  ALA 694           HB2      ALA 694  -9.628  20.951   1.458
  138    HB3  ALA 694           HB3      ALA 694 -10.997  20.815   2.579
  139    H    VAL 695           H        VAL 695  -8.028  17.976   3.773
  140    HA   VAL 695           HA       VAL 695  -5.944  18.138   1.757
  141    HB   VAL 695           HB       VAL 695  -5.976  16.889   4.535
  142   HG11  VAL 695          HG11      VAL 695  -3.635  17.235   2.625
  143   HG12  VAL 695          HG12      VAL 695  -3.508  16.755   4.332
  144   HG13  VAL 695          HG13      VAL 695  -4.324  15.696   3.172
  145   HG21  VAL 695          HG21      VAL 695  -4.705  19.452   3.468
  146   HG22  VAL 695          HG22      VAL 695  -6.107  19.364   4.552
  147   HG23  VAL 695          HG23      VAL 695  -4.519  18.825   5.116
  148    H    GLN 696           H        GLN 696  -8.270  15.750   3.038
  149    HA   GLN 696           HA       GLN 696  -6.917  13.428   1.966
  150    HB2  GLN 696           HB2      GLN 696  -9.875  13.912   2.476
  151    HB3  GLN 696           HB3      GLN 696  -9.155  12.350   2.155
  152    HG2  GLN 696           HG2      GLN 696  -8.108  12.293   4.306
  153    HG3  GLN 696           HG3      GLN 696  -8.441  14.007   4.601
  154   HE21  GLN 696          HE22      GLN 696  -9.658  13.394   6.585
  155   HE22  GLN 696          HE21      GLN 696 -11.321  12.864   6.369
  156    H    LYS 697           H        LYS 697  -9.476  15.630   0.951
  157    HA   LYS 697           HA       LYS 697 -10.109  14.436  -1.572
  158    HB2  LYS 697           HB2      LYS 697 -10.579  17.022  -0.124
  159    HB3  LYS 697           HB3      LYS 697 -10.744  17.054  -1.882
  160    HG2  LYS 697           HG2      LYS 697 -12.891  16.664  -1.077
  161    HG3  LYS 697           HG3      LYS 697 -12.368  15.126  -1.747
  162    HD2  LYS 697           HD2      LYS 697 -12.333  15.832   1.208
  163    HD3  LYS 697           HD3      LYS 697 -13.718  15.146   0.389
  164    HE2  LYS 697           HE2      LYS 697 -12.462  13.112  -0.174
  165    HE3  LYS 697           HE3      LYS 697 -11.059  13.713   0.720
  166    HZ1  LYS 697           HZ1      LYS 697 -12.587  12.186   2.049
  167    HZ2  LYS 697           HZ2      LYS 697 -12.335  13.606   2.768
  168    HZ3  LYS 697           HZ3      LYS 697 -13.694  13.445   2.045
  169    H    GLU 698           H        GLU 698  -7.947  17.236  -0.710
  170    HA   GLU 698           HA       GLU 698  -7.097  17.667  -3.348
  171    HB2  GLU 698           HB2      GLU 698  -6.926  19.349  -1.595
  172    HB3  GLU 698           HB3      GLU 698  -5.826  18.328  -0.669
  173    HG2  GLU 698           HG2      GLU 698  -4.587  20.099  -1.679
  174    HG3  GLU 698           HG3      GLU 698  -4.087  18.580  -2.395
  175    H    LEU 699           H        LEU 699  -5.622  15.542  -0.806
  176    HA   LEU 699           HA       LEU 699  -3.309  14.856  -2.376
  177    HB2  LEU 699           HB2      LEU 699  -4.824  13.627  -0.082
  178    HB3  LEU 699           HB3      LEU 699  -3.604  12.676  -0.888
  179    HG   LEU 699           HG       LEU 699  -3.154  14.147   1.303
  180   HD11  LEU 699          HD11      LEU 699  -1.176  13.576  -0.902
  181   HD12  LEU 699          HD12      LEU 699  -0.730  14.075   0.750
  182   HD13  LEU 699          HD13      LEU 699  -1.613  12.566   0.504
  183   HD21  LEU 699          HD21      LEU 699  -1.886  16.177   0.860
  184   HD22  LEU 699          HD22      LEU 699  -2.178  16.042  -0.881
  185   HD23  LEU 699          HD23      LEU 699  -3.527  16.365   0.227
  186    H    LEU 700           H        LEU 700  -6.596  13.413  -2.249
  187    HA   LEU 700           HA       LEU 700  -5.930  11.313  -4.110
  188    HB2  LEU 700           HB2      LEU 700  -8.550  12.589  -3.271
  189    HB3  LEU 700           HB3      LEU 700  -8.480  11.304  -4.474
  190    HG   LEU 700           HG       LEU 700  -7.316  10.952  -1.677
  191   HD11  LEU 700          HD11      LEU 700 -10.105  10.193  -2.652
  192   HD12  LEU 700          HD12      LEU 700  -9.388   9.788  -1.071
  193   HD13  LEU 700          HD13      LEU 700  -9.715  11.478  -1.485
  194   HD21  LEU 700          HD21      LEU 700  -7.574   8.547  -2.165
  195   HD22  LEU 700          HD22      LEU 700  -8.205   8.926  -3.785
  196   HD23  LEU 700          HD23      LEU 700  -6.531   9.310  -3.362
  197    H    ALA 701           H        ALA 701  -7.006  14.690  -4.520
  198    HA   ALA 701           HA       ALA 701  -7.385  14.465  -7.375
  199    HB1  ALA 701           HB1      ALA 701  -8.464  16.235  -5.986
  200    HB2  ALA 701           HB2      ALA 701  -6.860  16.931  -5.647
  201    HB3  ALA 701           HB3      ALA 701  -7.482  16.921  -7.302
  202    H    GLU 702           H        GLU 702  -4.655  15.411  -5.260
  203    HA   GLU 702           HA       GLU 702  -2.922  16.307  -7.286
  204    HB2  GLU 702           HB2      GLU 702  -2.629  16.796  -4.865
  205    HB3  GLU 702           HB3      GLU 702  -2.227  15.101  -4.581
  206    HG2  GLU 702           HG2      GLU 702  -0.181  16.376  -4.698
  207    HG3  GLU 702           HG3      GLU 702  -0.247  15.335  -6.112
  208    H    TRP 703           H        TRP 703  -3.158  13.119  -5.615
  209    HA   TRP 703           HA       TRP 703  -1.294  11.798  -7.310
  210    HB2  TRP 703           HB2      TRP 703  -3.713  10.753  -5.782
  211    HB3  TRP 703           HB3      TRP 703  -2.454   9.726  -6.482
  212    HD1  TRP 703           HD1      TRP 703   0.011  11.682  -5.459
  213    HE1  TRP 703           HE1      TRP 703   0.639  11.627  -2.990
  214    HE3  TRP 703           HE3      TRP 703  -4.336   9.817  -3.604
  215    HZ2  TRP 703           HZ2      TRP 703  -0.589  10.743  -0.466
  216    HZ3  TRP 703           HZ3      TRP 703  -4.655   9.535  -1.173
  217    HH2  TRP 703           HH2      TRP 703  -2.773   9.933   0.390
  218    H    LYS 704           H        LYS 704  -4.911  12.177  -7.725
  219    HA   LYS 704           HA       LYS 704  -4.719  10.814 -10.217
  220    HB2  LYS 704           HB2      LYS 704  -6.796  11.108  -8.736
  221    HB3  LYS 704           HB3      LYS 704  -6.972  12.707  -9.446
  222    HG2  LYS 704           HG2      LYS 704  -8.440  11.100 -10.522
  223    HG3  LYS 704           HG3      LYS 704  -7.269  11.662 -11.693
  224    HD2  LYS 704           HD2      LYS 704  -6.300   9.222 -10.333
  225    HD3  LYS 704           HD3      LYS 704  -7.917   8.995 -10.958
  226    HE2  LYS 704           HE2      LYS 704  -6.347   8.249 -12.612
  227    HE3  LYS 704           HE3      LYS 704  -7.171   9.697 -13.229
  228    HZ1  LYS 704           HZ1      LYS 704  -5.150  10.962 -12.696
  229    HZ2  LYS 704           HZ2      LYS 704  -4.461   9.654 -12.000
  230    HZ3  LYS 704           HZ3      LYS 704  -4.647   9.635 -13.539
  231    H    ARG 705           H        ARG 705  -3.688  14.052  -9.564
  232    HA   ARG 705           HA       ARG 705  -3.823  14.614 -12.490
  233    HB2  ARG 705           HB2      ARG 705  -3.644  16.901 -12.094
  234    HB3  ARG 705           HB3      ARG 705  -4.838  16.296 -10.954
  235    HG2  ARG 705           HG2      ARG 705  -2.729  16.234  -9.335
  236    HG3  ARG 705           HG3      ARG 705  -2.077  17.409 -10.459
  237    HD2  ARG 705           HD2      ARG 705  -4.047  18.868 -10.074
  238    HD3  ARG 705           HD3      ARG 705  -4.764  17.628  -9.025
  239    HE   ARG 705           HE       ARG 705  -2.104  18.438  -8.165
  240   HH11  ARG 705          HH12      ARG 705  -5.603  18.941  -7.678
  241   HH12  ARG 705          HH11      ARG 705  -5.377  19.598  -6.087
  242   HH21  ARG 705          HH21      ARG 705  -1.891  19.487  -6.112
  243   HH22  ARG 705          HH22      ARG 705  -3.317  20.176  -5.344
  244    H    THR 706           H        THR 706  -1.776  13.058 -10.479
  245    HA   THR 706           HA       THR 706   0.553  13.887 -12.137
  246    HB   THR 706           HB       THR 706   1.941  13.244 -10.136
  247    HG1  THR 706           HG1      THR 706  -0.466  13.571  -8.695
  248   HG21  THR 706          HG21      THR 706  -0.012  15.570  -9.742
  249   HG22  THR 706          HG22      THR 706   1.541  15.369  -8.916
  250   HG23  THR 706          HG23      THR 706   1.492  15.616 -10.671
  251    H    GLY 707           H        GLY 707  -1.474  11.235 -11.056
  252    HA2  GLY 707           HA2      GLY 707  -0.239   9.578 -13.134
  253    HA3  GLY 707           HA3      GLY 707  -0.324   8.912 -11.478
  Start of MODEL   18
    1    H1   GLY  -3           H1       GLY  -3   1.088   1.273   5.005
    2    H2   GLY  -3           H2       GLY  -3  -0.358   1.898   4.605
    3    H3   GLY  -3           H3       GLY  -3   0.196   2.042   6.151
    4    HA2  GLY  -3           HA2      GLY  -3   0.147  -0.368   6.406
    5    HA3  GLY  -3           HA3      GLY  -3  -1.455   0.332   6.118
    6    H    HIS  -2           H        HIS  -2   1.330  -1.031   4.341
    7    HA   HIS  -2           HA       HIS  -2   1.690  -2.414   2.799
    8    HB2  HIS  -2           HB2      HIS  -2   0.871  -4.485   2.897
    9    HB3  HIS  -2           HB3      HIS  -2   0.350  -3.888   4.454
   10    HD1  HIS  -2           HD1      HIS  -2  -2.413  -2.476   3.332
   11    HD2  HIS  -2           HD2      HIS  -2  -0.913  -6.295   2.432
   12    HE1  HIS  -2           HE1      HIS  -2  -4.408  -3.890   2.576
   13    H    MET  -1           H        MET  -1  -0.372  -0.094   1.970
   14    HA   MET  -1           HA       MET  -1  -0.534  -0.954  -0.805
   15    HB2  MET  -1           HB2      MET  -1  -2.892  -1.204  -1.044
   16    HB3  MET  -1           HB3      MET  -1  -2.389  -2.285   0.242
   17    HG2  MET  -1           HG2      MET  -1  -3.109  -0.520   1.906
   18    HG3  MET  -1           HG3      MET  -1  -3.765   0.414   0.565
   19    HE1  MET  -1           HE1      MET  -1  -6.741  -1.840  -0.669
   20    HE2  MET  -1           HE2      MET  -1  -5.791  -0.356  -0.952
   21    HE3  MET  -1           HE3      MET  -1  -5.081  -1.955  -1.290
   22    H    PHE 679           H        PHE 679  -0.273   1.644   1.292
   23    HA   PHE 679           HA       PHE 679  -2.122   3.386  -0.282
   24    HB2  PHE 679           HB2      PHE 679  -1.813   3.063   2.450
   25    HB3  PHE 679           HB3      PHE 679  -0.806   4.452   2.153
   26    HD1  PHE 679           HD2      PHE 679  -1.907   6.505   0.970
   27    HD2  PHE 679           HD1      PHE 679  -4.134   3.297   2.764
   28    HE1  PHE 679           HE2      PHE 679  -3.949   7.898   0.888
   29    HE2  PHE 679           HE1      PHE 679  -6.153   4.795   2.879
   30    HZ   PHE 679           HZ       PHE 679  -6.089   6.999   1.786
   31    HA   PRO 680           HA       PRO 680   1.410   5.628  -2.032
   32    HB2  PRO 680           HB2      PRO 680   0.402   8.259  -1.256
   33    HB3  PRO 680           HB3      PRO 680   0.525   7.532  -2.892
   34    HG2  PRO 680           HG2      PRO 680  -1.786   7.657  -1.027
   35    HG3  PRO 680           HG3      PRO 680  -1.802   7.427  -2.799
   36    HD2  PRO 680           HD2      PRO 680  -2.402   5.403  -1.079
   37    HD3  PRO 680           HD3      PRO 680  -1.488   5.103  -2.577
   38    H    SER 681           H        SER 681   3.361   6.335  -1.176
   39    HA   SER 681           HA       SER 681   4.971   6.304   0.399
   40    HB2  SER 681           HB2      SER 681   3.196   8.365   1.756
   41    HB3  SER 681           HB3      SER 681   4.949   8.171   1.957
   42    HG   SER 681           HG       SER 681   4.376   9.817   0.454
   43    H    ASP 682           H        ASP 682   2.708   4.446   0.773
   44    HA   ASP 682           HA       ASP 682   1.467   3.373   2.137
   45    HB2  ASP 682           HB2      ASP 682   3.500   1.994   1.707
   46    HB3  ASP 682           HB3      ASP 682   3.992   2.349   3.383
   47    H    ILE 683           H        ILE 683   1.248   5.856   3.075
   48    HA   ILE 683           HA       ILE 683   1.342   6.008   5.885
   49    HB   ILE 683           HB       ILE 683  -0.609   7.540   5.653
   50   HG12  ILE 683          HG12      ILE 683  -0.572   6.727   2.769
   51   HG13  ILE 683          HG13      ILE 683  -1.916   6.787   3.896
   52   HG21  ILE 683          HG21      ILE 683   1.828   8.164   5.414
   53   HG22  ILE 683          HG22      ILE 683   1.533   8.220   3.642
   54   HG23  ILE 683          HG23      ILE 683   0.631   9.292   4.768
   55   HD11  ILE 683          HD11      ILE 683  -1.526   9.377   3.913
   56   HD12  ILE 683          HD12      ILE 683  -0.521   9.105   2.479
   57   HD13  ILE 683          HD13      ILE 683  -2.226   8.662   2.459
   58    H    ASP 684           H        ASP 684  -0.240   5.607   7.474
   59    HA   ASP 684           HA       ASP 684  -1.661   3.094   7.031
   60    HB2  ASP 684           HB2      ASP 684  -0.639   3.667   9.233
   61    HB3  ASP 684           HB3      ASP 684  -1.842   4.973   9.393
   62    HA   PRO 685           HA       PRO 685  -5.130   5.233   5.236
   63    HB2  PRO 685           HB2      PRO 685  -6.920   3.218   6.566
   64    HB3  PRO 685           HB3      PRO 685  -6.814   3.653   4.836
   65    HG2  PRO 685           HG2      PRO 685  -5.787   1.304   5.794
   66    HG3  PRO 685           HG3      PRO 685  -4.933   2.226   4.522
   67    HD2  PRO 685           HD2      PRO 685  -4.444   2.234   7.496
   68    HD3  PRO 685           HD3      PRO 685  -3.242   2.091   6.160
   69    H    GLN 686           H        GLN 686  -5.192   4.235   8.707
   70    HA   GLN 686           HA       GLN 686  -7.466   5.849   9.345
   71    HB2  GLN 686           HB2      GLN 686  -5.235   4.840  11.149
   72    HB3  GLN 686           HB3      GLN 686  -6.774   5.499  11.696
   73    HG2  GLN 686           HG2      GLN 686  -8.033   3.661  10.854
   74    HG3  GLN 686           HG3      GLN 686  -6.710   3.082   9.838
   75   HE21  GLN 686          HE22      GLN 686  -4.614   2.529  11.069
   76   HE22  GLN 686          HE21      GLN 686  -4.876   1.548  12.519
   77    H    VAL 687           H        VAL 687  -3.911   6.383   9.439
   78    HA   VAL 687           HA       VAL 687  -4.120   9.010  10.606
   79    HB   VAL 687           HB       VAL 687  -1.829   7.726   9.053
   80   HG11  VAL 687          HG11      VAL 687  -0.397   9.352  10.287
   81   HG12  VAL 687          HG12      VAL 687  -1.541  10.172   9.217
   82   HG13  VAL 687          HG13      VAL 687  -1.859  10.112  10.962
   83   HG21  VAL 687          HG21      VAL 687  -2.459   6.408  11.083
   84   HG22  VAL 687          HG22      VAL 687  -0.894   7.200  11.291
   85   HG23  VAL 687          HG23      VAL 687  -2.344   7.878  12.062
   86    H    PHE 688           H        PHE 688  -3.693   7.848   7.156
   87    HA   PHE 688           HA       PHE 688  -3.804  10.382   6.003
   88    HB2  PHE 688           HB2      PHE 688  -3.466   8.266   4.740
   89    HB3  PHE 688           HB3      PHE 688  -5.167   7.862   4.972
   90    HD1  PHE 688           HD1      PHE 688  -3.119  10.828   3.840
   91    HD2  PHE 688           HD2      PHE 688  -6.714   8.532   3.335
   92    HE1  PHE 688           HE1      PHE 688  -3.771  12.266   1.984
   93    HE2  PHE 688           HE2      PHE 688  -7.372   9.992   1.420
   94    HZ   PHE 688           HZ       PHE 688  -5.882  11.888   0.756
   95    H    TYR 689           H        TYR 689  -6.651   8.390   7.031
   96    HA   TYR 689           HA       TYR 689  -8.411  10.469   5.971
   97    HB2  TYR 689           HB2      TYR 689  -8.914   7.797   7.289
   98    HB3  TYR 689           HB3      TYR 689 -10.201   8.886   6.753
   99    HD1  TYR 689           HD1      TYR 689  -9.636   9.760   4.125
  100    HD2  TYR 689           HD2      TYR 689  -8.722   5.947   5.897
  101    HE1  TYR 689           HE1      TYR 689  -9.494   8.749   1.866
  102    HE2  TYR 689           HE2      TYR 689  -8.568   4.932   3.661
  103    HH   TYR 689           HH       TYR 689  -8.552   5.324   1.365
  104    H    GLU 690           H        GLU 690  -6.764  10.120   8.927
  105    HA   GLU 690           HA       GLU 690  -8.636  11.654  10.552
  106    HB2  GLU 690           HB2      GLU 690  -6.959  10.130  11.528
  107    HB3  GLU 690           HB3      GLU 690  -5.651  11.056  10.782
  108    HG2  GLU 690           HG2      GLU 690  -6.173  12.991  12.206
  109    HG3  GLU 690           HG3      GLU 690  -7.573  12.139  12.874
  110    H    LEU 691           H        LEU 691  -6.311  12.324   8.034
  111    HA   LEU 691           HA       LEU 691  -5.756  15.031   8.625
  112    HB2  LEU 691           HB2      LEU 691  -6.079  13.677   5.917
  113    HB3  LEU 691           HB3      LEU 691  -5.377  15.273   6.144
  114    HG   LEU 691           HG       LEU 691  -4.206  12.678   7.227
  115   HD11  LEU 691          HD11      LEU 691  -3.134  14.534   5.066
  116   HD12  LEU 691          HD12      LEU 691  -2.474  12.969   5.592
  117   HD13  LEU 691          HD13      LEU 691  -4.033  13.037   4.753
  118   HD21  LEU 691          HD21      LEU 691  -2.217  14.074   7.790
  119   HD22  LEU 691          HD22      LEU 691  -3.167  15.538   7.417
  120   HD23  LEU 691          HD23      LEU 691  -3.624  14.469   8.770
  121    HA   PRO 692           HA       PRO 692  -9.552  17.182   8.047
  122    HB2  PRO 692           HB2      PRO 692  -8.143  19.113   6.213
  123    HB3  PRO 692           HB3      PRO 692  -9.109  19.454   7.677
  124    HG2  PRO 692           HG2      PRO 692  -6.386  19.582   7.719
  125    HG3  PRO 692           HG3      PRO 692  -7.302  18.897   9.107
  126    HD2  PRO 692           HD2      PRO 692  -5.909  17.407   6.861
  127    HD3  PRO 692           HD3      PRO 692  -5.892  17.074   8.632
  128    H    GLU 693           H        GLU 693 -11.247  17.237   6.579
  129    HA   GLU 693           HA       GLU 693 -11.330  15.483   4.556
  130    HB2  GLU 693           HB2      GLU 693 -13.293  16.584   5.638
  131    HB3  GLU 693           HB3      GLU 693 -12.908  18.088   4.819
  132    HG2  GLU 693           HG2      GLU 693 -14.804  17.024   3.749
  133    HG3  GLU 693           HG3      GLU 693 -13.444  17.081   2.627
  134    H    ALA 694           H        ALA 694 -10.714  18.954   4.040
  135    HA   ALA 694           HA       ALA 694 -10.444  18.614   1.232
  136    HB1  ALA 694           HB1      ALA 694 -11.061  20.753   2.261
  137    HB2  ALA 694           HB2      ALA 694  -9.455  20.849   3.057
  138    HB3  ALA 694           HB3      ALA 694  -9.591  20.943   1.284
  139    H    VAL 695           H        VAL 695  -8.118  17.998   3.760
  140    HA   VAL 695           HA       VAL 695  -5.858  18.232   1.942
  141    HB   VAL 695           HB       VAL 695  -6.096  16.967   4.698
  142   HG11  VAL 695          HG11      VAL 695  -4.356  15.773   3.422
  143   HG12  VAL 695          HG12      VAL 695  -3.629  17.314   2.941
  144   HG13  VAL 695          HG13      VAL 695  -3.616  16.823   4.650
  145   HG21  VAL 695          HG21      VAL 695  -6.232  19.433   4.716
  146   HG22  VAL 695          HG22      VAL 695  -4.686  18.893   5.391
  147   HG23  VAL 695          HG23      VAL 695  -4.752  19.532   3.736
  148    H    GLN 696           H        GLN 696  -8.023  15.667   3.303
  149    HA   GLN 696           HA       GLN 696  -6.735  13.478   2.043
  150    HB2  GLN 696           HB2      GLN 696  -9.717  13.888   2.459
  151    HB3  GLN 696           HB3      GLN 696  -8.934  12.355   2.094
  152    HG2  GLN 696           HG2      GLN 696  -7.928  12.277   4.284
  153    HG3  GLN 696           HG3      GLN 696  -8.427  13.940   4.639
  154   HE21  GLN 696          HE22      GLN 696  -9.706  13.234   6.488
  155   HE22  GLN 696          HE21      GLN 696 -11.229  12.415   6.244
  156    H    LYS 697           H        LYS 697  -9.363  15.634   0.940
  157    HA   LYS 697           HA       LYS 697  -9.696  14.390  -1.616
  158    HB2  LYS 697           HB2      LYS 697 -10.555  17.015  -0.416
  159    HB3  LYS 697           HB3      LYS 697 -10.569  16.840  -2.166
  160    HG2  LYS 697           HG2      LYS 697 -12.718  16.315  -1.474
  161    HG3  LYS 697           HG3      LYS 697 -11.997  14.785  -1.965
  162    HD2  LYS 697           HD2      LYS 697 -12.228  15.713   0.916
  163    HD3  LYS 697           HD3      LYS 697 -13.512  14.868   0.068
  164    HE2  LYS 697           HE2      LYS 697 -12.066  12.900  -0.282
  165    HE3  LYS 697           HE3      LYS 697 -10.776  13.682   0.641
  166    HZ1  LYS 697           HZ1      LYS 697 -13.460  13.119   1.772
  167    HZ2  LYS 697           HZ2      LYS 697 -12.101  12.176   2.095
  168    HZ3  LYS 697           HZ3      LYS 697 -12.285  13.688   2.588
  169    H    GLU 698           H        GLU 698  -7.621  17.192  -0.607
  170    HA   GLU 698           HA       GLU 698  -6.715  17.748  -3.234
  171    HB2  GLU 698           HB2      GLU 698  -6.578  19.369  -1.433
  172    HB3  GLU 698           HB3      GLU 698  -5.552  18.294  -0.480
  173    HG2  GLU 698           HG2      GLU 698  -4.221  20.055  -1.361
  174    HG3  GLU 698           HG3      GLU 698  -3.720  18.546  -2.109
  175    H    LEU 699           H        LEU 699  -5.382  15.580  -0.687
  176    HA   LEU 699           HA       LEU 699  -3.032  14.805  -2.161
  177    HB2  LEU 699           HB2      LEU 699  -4.678  13.658   0.097
  178    HB3  LEU 699           HB3      LEU 699  -3.445  12.670  -0.640
  179    HG   LEU 699           HG       LEU 699  -3.029  14.150   1.547
  180   HD11  LEU 699          HD11      LEU 699  -1.515  12.531   0.809
  181   HD12  LEU 699          HD12      LEU 699  -0.976  13.540  -0.562
  182   HD13  LEU 699          HD13      LEU 699  -0.610  14.018   1.118
  183   HD21  LEU 699          HD21      LEU 699  -1.952  16.019  -0.611
  184   HD22  LEU 699          HD22      LEU 699  -3.337  16.372   0.438
  185   HD23  LEU 699          HD23      LEU 699  -1.730  16.162   1.141
  186    H    LEU 700           H        LEU 700  -6.377  13.454  -2.109
  187    HA   LEU 700           HA       LEU 700  -5.752  11.372  -4.001
  188    HB2  LEU 700           HB2      LEU 700  -8.316  12.736  -3.133
  189    HB3  LEU 700           HB3      LEU 700  -8.319  11.526  -4.413
  190    HG   LEU 700           HG       LEU 700  -7.100  10.924  -1.687
  191   HD11  LEU 700          HD11      LEU 700  -9.990  10.452  -2.545
  192   HD12  LEU 700          HD12      LEU 700  -9.224   9.882  -1.040
  193   HD13  LEU 700          HD13      LEU 700  -9.435  11.616  -1.322
  194   HD21  LEU 700          HD21      LEU 700  -6.561   9.367  -3.581
  195   HD22  LEU 700          HD22      LEU 700  -7.538   8.589  -2.327
  196   HD23  LEU 700          HD23      LEU 700  -8.292   9.113  -3.845
  197    H    ALA 701           H        ALA 701  -6.843  14.772  -4.407
  198    HA   ALA 701           HA       ALA 701  -7.124  14.632  -7.244
  199    HB1  ALA 701           HB1      ALA 701  -8.043  16.484  -5.857
  200    HB2  ALA 701           HB2      ALA 701  -6.384  17.036  -5.517
  201    HB3  ALA 701           HB3      ALA 701  -7.007  17.073  -7.177
  202    H    GLU 702           H        GLU 702  -4.319  15.421  -5.119
  203    HA   GLU 702           HA       GLU 702  -2.498  15.984  -7.161
  204    HB2  GLU 702           HB2      GLU 702  -2.163  16.372  -4.686
  205    HB3  GLU 702           HB3      GLU 702  -1.833  14.645  -4.514
  206    HG2  GLU 702           HG2      GLU 702   0.274  15.801  -4.672
  207    HG3  GLU 702           HG3      GLU 702   0.059  14.878  -6.164
  208    H    TRP 703           H        TRP 703  -3.083  12.896  -5.452
  209    HA   TRP 703           HA       TRP 703  -1.526  11.290  -7.235
  210    HB2  TRP 703           HB2      TRP 703  -3.824  10.593  -5.354
  211    HB3  TRP 703           HB3      TRP 703  -2.694   9.421  -6.027
  212    HD1  TRP 703           HD1      TRP 703  -0.055  11.300  -5.325
  213    HE1  TRP 703           HE1      TRP 703   0.737  11.396  -2.889
  214    HE3  TRP 703           HE3      TRP 703  -4.365   9.843  -3.038
  215    HZ2  TRP 703           HZ2      TRP 703  -0.327  10.721  -0.267
  216    HZ3  TRP 703           HZ3      TRP 703  -4.492   9.653  -0.568
  217    HH2  TRP 703           HH2      TRP 703  -2.468  10.067   0.816
  218    H    LYS 704           H        LYS 704  -4.509  12.806  -7.943
  219    HA   LYS 704           HA       LYS 704  -4.603  11.043 -10.319
  220    HB2  LYS 704           HB2      LYS 704  -6.500  10.745  -8.704
  221    HB3  LYS 704           HB3      LYS 704  -6.999  12.395  -9.050
  222    HG2  LYS 704           HG2      LYS 704  -8.271  10.564 -10.215
  223    HG3  LYS 704           HG3      LYS 704  -7.665  11.835 -11.250
  224    HD2  LYS 704           HD2      LYS 704  -7.479   9.682 -12.311
  225    HD3  LYS 704           HD3      LYS 704  -5.893  10.380 -12.123
  226    HE2  LYS 704           HE2      LYS 704  -6.892   8.416 -10.029
  227    HE3  LYS 704           HE3      LYS 704  -6.439   7.824 -11.639
  228    HZ1  LYS 704           HZ1      LYS 704  -4.271   8.957 -11.320
  229    HZ2  LYS 704           HZ2      LYS 704  -4.596   9.169  -9.748
  230    HZ3  LYS 704           HZ3      LYS 704  -4.477   7.664 -10.430
  231    H    ARG 705           H        ARG 705  -3.440  13.926  -9.584
  232    HA   ARG 705           HA       ARG 705  -3.884  14.785 -12.406
  233    HB2  ARG 705           HB2      ARG 705  -3.541  17.038 -11.815
  234    HB3  ARG 705           HB3      ARG 705  -4.698  16.369 -10.667
  235    HG2  ARG 705           HG2      ARG 705  -2.527  16.047  -9.186
  236    HG3  ARG 705           HG3      ARG 705  -1.846  17.277 -10.238
  237    HD2  ARG 705           HD2      ARG 705  -3.705  18.818  -9.678
  238    HD3  ARG 705           HD3      ARG 705  -4.453  17.561  -8.671
  239    HE   ARG 705           HE       ARG 705  -1.742  18.136  -7.844
  240   HH11  ARG 705          HH11      ARG 705  -5.149  19.142  -7.417
  241   HH12  ARG 705          HH12      ARG 705  -4.887  19.700  -5.786
  242   HH21  ARG 705          HH21      ARG 705  -1.444  19.062  -5.731
  243   HH22  ARG 705          HH22      ARG 705  -2.779  19.934  -4.972
  244    H    THR 706           H        THR 706  -1.915  12.845 -10.967
  245    HA   THR 706           HA       THR 706   0.574  13.814 -12.278
  246    HB   THR 706           HB       THR 706   1.685  12.620 -10.289
  247    HG1  THR 706           HG1      THR 706  -0.711  13.016  -8.917
  248   HG21  THR 706          HG21      THR 706  -0.028  15.084  -9.673
  249   HG22  THR 706          HG22      THR 706   1.362  14.529  -8.731
  250   HG23  THR 706          HG23      THR 706   1.582  15.088 -10.399
  251    H    GLY 707           H        GLY 707  -1.830  11.438 -12.210
  252    HA2  GLY 707           HA2      GLY 707  -1.035   9.549 -13.961
  253    HA3  GLY 707           HA3      GLY 707  -0.389   9.013 -12.377
  Start of MODEL   19
    1    H1   GLY  -3           H1       GLY  -3   0.791  12.284  -8.199
    2    H2   GLY  -3           H2       GLY  -3   0.554  11.269  -9.488
    3    H3   GLY  -3           H3       GLY  -3  -0.609  11.467  -8.332
    4    HA2  GLY  -3           HA2      GLY  -3   2.047  10.289  -7.924
    5    HA3  GLY  -3           HA3      GLY  -3   0.864  10.559  -6.656
    6    H    HIS  -2           H        HIS  -2  -0.989   9.490  -9.358
    7    HA   HIS  -2           HA       HIS  -2  -1.889   7.683  -9.982
    8    HB2  HIS  -2           HB2      HIS  -2   0.396   7.224 -10.760
    9    HB3  HIS  -2           HB3      HIS  -2   0.637   6.193  -9.336
   10    HD1  HIS  -2           HD1      HIS  -2  -2.053   6.457 -12.155
   11    HD2  HIS  -2           HD2      HIS  -2  -0.029   3.693  -9.691
   12    HE1  HIS  -2           HE1      HIS  -2  -2.866   4.118 -12.831
   13    H    MET  -1           H        MET  -1  -0.557   6.922  -6.702
   14    HA   MET  -1           HA       MET  -1  -3.109   5.603  -6.114
   15    HB2  MET  -1           HB2      MET  -1  -0.876   4.084  -7.102
   16    HB3  MET  -1           HB3      MET  -1  -0.933   3.789  -5.370
   17    HG2  MET  -1           HG2      MET  -1  -3.225   3.459  -7.339
   18    HG3  MET  -1           HG3      MET  -1  -2.255   2.165  -6.637
   19    HE1  MET  -1           HE1      MET  -1  -5.709   1.478  -4.988
   20    HE2  MET  -1           HE2      MET  -1  -5.386   2.032  -6.647
   21    HE3  MET  -1           HE3      MET  -1  -4.343   0.801  -5.901
   22    H    PHE 679           H        PHE 679  -2.915   4.653  -3.800
   23    HA   PHE 679           HA       PHE 679  -2.104   6.721  -2.017
   24    HB2  PHE 679           HB2      PHE 679  -3.611   4.281  -1.872
   25    HB3  PHE 679           HB3      PHE 679  -2.279   4.083  -0.762
   26    HD1  PHE 679           HD2      PHE 679  -2.444   7.332  -0.071
   27    HD2  PHE 679           HD1      PHE 679  -5.091   3.920   0.097
   28    HE1  PHE 679           HE2      PHE 679  -3.659   8.377   1.721
   29    HE2  PHE 679           HE1      PHE 679  -6.326   5.029   2.013
   30    HZ   PHE 679           HZ       PHE 679  -5.598   7.187   2.818
   31    HA   PRO 680           HA       PRO 680   2.283   5.403  -1.767
   32    HB2  PRO 680           HB2      PRO 680   1.959   7.022   0.758
   33    HB3  PRO 680           HB3      PRO 680   3.333   7.037  -0.400
   34    HG2  PRO 680           HG2      PRO 680   1.528   9.015  -0.459
   35    HG3  PRO 680           HG3      PRO 680   1.972   8.230  -2.016
   36    HD2  PRO 680           HD2      PRO 680  -0.411   7.643  -0.240
   37    HD3  PRO 680           HD3      PRO 680  -0.379   7.928  -2.010
   38    H    SER 681           H        SER 681   3.511   4.993   0.803
   39    HA   SER 681           HA       SER 681   1.796   3.220   2.374
   40    HB2  SER 681           HB2      SER 681   4.308   2.084   1.088
   41    HB3  SER 681           HB3      SER 681   3.155   1.236   2.137
   42    HG   SER 681           HG       SER 681   1.731   2.250   0.184
   43    H    ASP 682           H        ASP 682   3.539   5.768   2.543
   44    HA   ASP 682           HA       ASP 682   5.262   5.091   4.839
   45    HB2  ASP 682           HB2      ASP 682   5.887   7.453   4.723
   46    HB3  ASP 682           HB3      ASP 682   6.111   6.706   3.141
   47    H    ILE 683           H        ILE 683   2.299   6.798   3.849
   48    HA   ILE 683           HA       ILE 683   1.429   7.240   6.604
   49    HB   ILE 683           HB       ILE 683  -0.694   7.971   5.458
   50   HG12  ILE 683          HG12      ILE 683   0.833   7.425   2.901
   51   HG13  ILE 683          HG13      ILE 683  -0.697   6.730   3.461
   52   HG21  ILE 683          HG21      ILE 683   1.780   9.449   4.517
   53   HG22  ILE 683          HG22      ILE 683   0.141  10.108   4.811
   54   HG23  ILE 683          HG23      ILE 683   1.097   9.518   6.165
   55   HD11  ILE 683          HD11      ILE 683  -0.237   9.601   2.570
   56   HD12  ILE 683          HD12      ILE 683  -1.165   8.332   1.759
   57   HD13  ILE 683          HD13      ILE 683  -1.736   8.996   3.301
   58    H    ASP 684           H        ASP 684  -0.197   6.252   7.603
   59    HA   ASP 684           HA       ASP 684  -1.051   3.561   6.710
   60    HB2  ASP 684           HB2      ASP 684  -0.448   3.694   9.034
   61    HB3  ASP 684           HB3      ASP 684  -1.332   5.200   9.254
   62    HA   PRO 685           HA       PRO 685  -4.323   5.702   4.748
   63    HB2  PRO 685           HB2      PRO 685  -6.250   3.832   4.312
   64    HB3  PRO 685           HB3      PRO 685  -4.631   3.740   3.547
   65    HG2  PRO 685           HG2      PRO 685  -5.634   2.236   5.955
   66    HG3  PRO 685           HG3      PRO 685  -4.640   1.641   4.594
   67    HD2  PRO 685           HD2      PRO 685  -3.721   2.492   7.071
   68    HD3  PRO 685           HD3      PRO 685  -2.683   2.440   5.598
   69    H    GLN 686           H        GLN 686  -5.086   4.159   7.898
   70    HA   GLN 686           HA       GLN 686  -7.653   5.489   8.075
   71    HB2  GLN 686           HB2      GLN 686  -7.307   3.390   9.283
   72    HB3  GLN 686           HB3      GLN 686  -5.961   4.085  10.185
   73    HG2  GLN 686           HG2      GLN 686  -8.003   4.022  11.542
   74    HG3  GLN 686           HG3      GLN 686  -7.407   5.653  11.308
   75   HE21  GLN 686          HE22      GLN 686  -9.336   6.731  11.629
   76   HE22  GLN 686          HE21      GLN 686 -10.713   6.585  10.531
   77    H    VAL 687           H        VAL 687  -4.289   5.940   9.259
   78    HA   VAL 687           HA       VAL 687  -4.673   8.397  10.623
   79    HB   VAL 687           HB       VAL 687  -2.252   7.393   9.041
   80   HG11  VAL 687          HG11      VAL 687  -0.913   8.913  10.477
   81   HG12  VAL 687          HG12      VAL 687  -2.005   9.805   9.413
   82   HG13  VAL 687          HG13      VAL 687  -2.419   9.608  11.125
   83   HG21  VAL 687          HG21      VAL 687  -2.901   7.300  12.042
   84   HG22  VAL 687          HG22      VAL 687  -2.971   5.911  10.959
   85   HG23  VAL 687          HG23      VAL 687  -1.415   6.689  11.270
   86    H    PHE 688           H        PHE 688  -3.910   7.819   7.117
   87    HA   PHE 688           HA       PHE 688  -4.028  10.489   6.330
   88    HB2  PHE 688           HB2      PHE 688  -3.309   8.671   4.872
   89    HB3  PHE 688           HB3      PHE 688  -4.943   8.022   4.828
   90    HD1  PHE 688           HD1      PHE 688  -2.884  10.997   3.937
   91    HD2  PHE 688           HD2      PHE 688  -6.666   8.996   3.418
   92    HE1  PHE 688           HE1      PHE 688  -3.489  12.571   2.141
   93    HE2  PHE 688           HE2      PHE 688  -7.234  10.536   1.554
   94    HZ   PHE 688           HZ       PHE 688  -5.611  12.316   0.897
   95    H    TYR 689           H        TYR 689  -6.851   8.222   6.726
   96    HA   TYR 689           HA       TYR 689  -8.625  10.252   5.625
   97    HB2  TYR 689           HB2      TYR 689  -9.033   7.531   6.860
   98    HB3  TYR 689           HB3      TYR 689 -10.377   8.561   6.332
   99    HD1  TYR 689           HD1      TYR 689  -9.716   9.599   3.751
  100    HD2  TYR 689           HD2      TYR 689  -8.801   5.741   5.444
  101    HE1  TYR 689           HE1      TYR 689  -9.541   8.644   1.471
  102    HE2  TYR 689           HE2      TYR 689  -8.608   4.774   3.179
  103    HH   TYR 689           HH       TYR 689  -8.634   5.226   0.884
  104    H    GLU 690           H        GLU 690  -7.369   9.711   8.828
  105    HA   GLU 690           HA       GLU 690  -9.436  11.379  10.080
  106    HB2  GLU 690           HB2      GLU 690  -6.833  10.102  10.994
  107    HB3  GLU 690           HB3      GLU 690  -7.623  11.351  11.972
  108    HG2  GLU 690           HG2      GLU 690  -9.691  10.070  12.079
  109    HG3  GLU 690           HG3      GLU 690  -9.052   8.861  10.969
  110    H    LEU 691           H        LEU 691  -6.944  12.047   7.923
  111    HA   LEU 691           HA       LEU 691  -6.192  14.648   8.935
  112    HB2  LEU 691           HB2      LEU 691  -6.318  13.584   6.087
  113    HB3  LEU 691           HB3      LEU 691  -5.603  15.118   6.528
  114    HG   LEU 691           HG       LEU 691  -4.555  12.384   7.344
  115   HD11  LEU 691          HD11      LEU 691  -3.330  14.560   5.604
  116   HD12  LEU 691          HD12      LEU 691  -2.684  12.937   5.917
  117   HD13  LEU 691          HD13      LEU 691  -4.179  13.125   4.993
  118   HD21  LEU 691          HD21      LEU 691  -3.494  15.137   8.101
  119   HD22  LEU 691          HD22      LEU 691  -4.104  13.875   9.205
  120   HD23  LEU 691          HD23      LEU 691  -2.620  13.593   8.307
  121    HA   PRO 692           HA       PRO 692  -9.868  16.953   8.181
  122    HB2  PRO 692           HB2      PRO 692  -8.307  19.016   6.655
  123    HB3  PRO 692           HB3      PRO 692  -9.343  19.225   8.099
  124    HG2  PRO 692           HG2      PRO 692  -6.617  19.292   8.289
  125    HG3  PRO 692           HG3      PRO 692  -7.620  18.518   9.559
  126    HD2  PRO 692           HD2      PRO 692  -6.159  17.189   7.257
  127    HD3  PRO 692           HD3      PRO 692  -6.211  16.707   8.995
  128    H    GLU 693           H        GLU 693 -11.419  17.116   6.595
  129    HA   GLU 693           HA       GLU 693 -11.377  15.589   4.424
  130    HB2  GLU 693           HB2      GLU 693 -13.364  16.677   5.486
  131    HB3  GLU 693           HB3      GLU 693 -12.889  18.227   4.813
  132    HG2  GLU 693           HG2      GLU 693 -14.757  17.320   3.581
  133    HG3  GLU 693           HG3      GLU 693 -13.341  17.422   2.534
  134    H    ALA 694           H        ALA 694 -10.661  19.058   4.237
  135    HA   ALA 694           HA       ALA 694 -10.198  18.972   1.439
  136    HB1  ALA 694           HB1      ALA 694 -10.843  21.027   2.622
  137    HB2  ALA 694           HB2      ALA 694  -9.307  20.999   3.538
  138    HB3  ALA 694           HB3      ALA 694  -9.301  21.264   1.774
  139    H    VAL 695           H        VAL 695  -8.018  18.191   4.084
  140    HA   VAL 695           HA       VAL 695  -5.659  18.561   2.450
  141    HB   VAL 695           HB       VAL 695  -6.103  17.015   5.032
  142   HG11  VAL 695          HG11      VAL 695  -4.222  15.998   3.857
  143   HG12  VAL 695          HG12      VAL 695  -3.492  17.592   3.579
  144   HG13  VAL 695          HG13      VAL 695  -3.625  16.943   5.230
  145   HG21  VAL 695          HG21      VAL 695  -4.844  18.878   6.074
  146   HG22  VAL 695          HG22      VAL 695  -4.751  19.697   4.500
  147   HG23  VAL 695          HG23      VAL 695  -6.321  19.468   5.292
  148    H    GLN 696           H        GLN 696  -8.016  15.995   3.213
  149    HA   GLN 696           HA       GLN 696  -6.462  13.846   2.101
  150    HB2  GLN 696           HB2      GLN 696  -9.487  14.151   2.272
  151    HB3  GLN 696           HB3      GLN 696  -8.641  12.669   1.855
  152    HG2  GLN 696           HG2      GLN 696  -7.828  12.436   4.119
  153    HG3  GLN 696           HG3      GLN 696  -8.427  14.051   4.549
  154   HE21  GLN 696          HE22      GLN 696  -9.833  13.143   6.190
  155   HE22  GLN 696          HE21      GLN 696 -11.275  12.269   5.768
  156    H    LYS 697           H        LYS 697  -9.016  16.012   0.977
  157    HA   LYS 697           HA       LYS 697  -9.399  14.914  -1.590
  158    HB2  LYS 697           HB2      LYS 697 -10.106  17.409  -0.130
  159    HB3  LYS 697           HB3      LYS 697 -10.021  17.583  -1.882
  160    HG2  LYS 697           HG2      LYS 697 -12.237  17.068  -1.502
  161    HG3  LYS 697           HG3      LYS 697 -11.566  15.565  -2.105
  162    HD2  LYS 697           HD2      LYS 697 -12.088  16.203   0.820
  163    HD3  LYS 697           HD3      LYS 697 -13.235  15.412  -0.243
  164    HE2  LYS 697           HE2      LYS 697 -11.700  13.505  -0.569
  165    HE3  LYS 697           HE3      LYS 697 -10.543  14.247   0.536
  166    HZ1  LYS 697           HZ1      LYS 697 -13.296  13.469   1.341
  167    HZ2  LYS 697           HZ2      LYS 697 -11.896  12.612   1.741
  168    HZ3  LYS 697           HZ3      LYS 697 -12.250  14.069   2.308
  169    H    GLU 698           H        GLU 698  -7.045  17.498  -0.571
  170    HA   GLU 698           HA       GLU 698  -6.171  17.912  -3.266
  171    HB2  GLU 698           HB2      GLU 698  -5.839  19.597  -1.570
  172    HB3  GLU 698           HB3      GLU 698  -4.838  18.513  -0.599
  173    HG2  GLU 698           HG2      GLU 698  -3.559  20.232  -1.942
  174    HG3  GLU 698           HG3      GLU 698  -3.047  18.566  -2.180
  175    H    LEU 699           H        LEU 699  -4.820  15.806  -0.606
  176    HA   LEU 699           HA       LEU 699  -2.670  14.787  -2.182
  177    HB2  LEU 699           HB2      LEU 699  -4.242  13.923   0.239
  178    HB3  LEU 699           HB3      LEU 699  -3.144  12.774  -0.497
  179    HG   LEU 699           HG       LEU 699  -2.317  14.181   1.474
  180   HD11  LEU 699          HD11      LEU 699  -0.719  13.941  -1.088
  181   HD12  LEU 699          HD12      LEU 699  -0.009  14.386   0.490
  182   HD13  LEU 699          HD13      LEU 699  -0.802  12.823   0.293
  183   HD21  LEU 699          HD21      LEU 699  -1.288  16.327   1.053
  184   HD22  LEU 699          HD22      LEU 699  -1.924  16.348  -0.602
  185   HD23  LEU 699          HD23      LEU 699  -3.031  16.399   0.787
  186    H    LEU 700           H        LEU 700  -6.046  13.619  -1.916
  187    HA   LEU 700           HA       LEU 700  -5.651  11.372  -3.663
  188    HB2  LEU 700           HB2      LEU 700  -8.083  13.018  -2.878
  189    HB3  LEU 700           HB3      LEU 700  -8.209  11.610  -3.933
  190    HG   LEU 700           HG       LEU 700  -6.870  11.365  -1.207
  191   HD11  LEU 700          HD11      LEU 700  -9.856  11.091  -1.787
  192   HD12  LEU 700          HD12      LEU 700  -9.038  10.669  -0.265
  193   HD13  LEU 700          HD13      LEU 700  -9.090  12.355  -0.795
  194   HD21  LEU 700          HD21      LEU 700  -7.514   9.023  -1.398
  195   HD22  LEU 700          HD22      LEU 700  -8.435   9.340  -2.884
  196   HD23  LEU 700          HD23      LEU 700  -6.670   9.479  -2.881
  197    H    ALA 701           H        ALA 701  -6.545  14.793  -4.245
  198    HA   ALA 701           HA       ALA 701  -6.896  14.599  -7.095
  199    HB1  ALA 701           HB1      ALA 701  -7.587  16.576  -5.772
  200    HB2  ALA 701           HB2      ALA 701  -5.876  16.969  -5.503
  201    HB3  ALA 701           HB3      ALA 701  -6.538  16.948  -7.152
  202    H    GLU 702           H        GLU 702  -3.838  15.423  -5.197
  203    HA   GLU 702           HA       GLU 702  -2.145  15.354  -7.418
  204    HB2  GLU 702           HB2      GLU 702  -1.681  15.849  -4.911
  205    HB3  GLU 702           HB3      GLU 702  -1.417  14.121  -4.725
  206    HG2  GLU 702           HG2      GLU 702   0.132  16.069  -6.470
  207    HG3  GLU 702           HG3      GLU 702   0.698  15.292  -4.991
  208    H    TRP 703           H        TRP 703  -3.173  12.561  -5.394
  209    HA   TRP 703           HA       TRP 703  -1.761  10.694  -6.951
  210    HB2  TRP 703           HB2      TRP 703  -4.030  10.375  -4.935
  211    HB3  TRP 703           HB3      TRP 703  -3.061   9.023  -5.522
  212    HD1  TRP 703           HD1      TRP 703  -0.282  10.994  -5.137
  213    HE1  TRP 703           HE1      TRP 703   0.620  11.227  -2.795
  214    HE3  TRP 703           HE3      TRP 703  -4.456   9.606  -2.576
  215    HZ2  TRP 703           HZ2      TRP 703  -0.299  10.706  -0.081
  216    HZ3  TRP 703           HZ3      TRP 703  -4.487   9.698  -0.098
  217    HH2  TRP 703           HH2      TRP 703  -2.406  10.237   1.147
  218    H    LYS 704           H        LYS 704  -4.740  12.156  -7.902
  219    HA   LYS 704           HA       LYS 704  -4.625  10.167 -10.121
  220    HB2  LYS 704           HB2      LYS 704  -6.494   9.657  -8.513
  221    HB3  LYS 704           HB3      LYS 704  -7.219  11.200  -8.929
  222    HG2  LYS 704           HG2      LYS 704  -8.224   9.201 -10.057
  223    HG3  LYS 704           HG3      LYS 704  -7.726  10.479 -11.145
  224    HD2  LYS 704           HD2      LYS 704  -7.243   8.291 -12.059
  225    HD3  LYS 704           HD3      LYS 704  -5.758   9.193 -11.856
  226    HE2  LYS 704           HE2      LYS 704  -6.573   7.354  -9.605
  227    HE3  LYS 704           HE3      LYS 704  -6.083   6.601 -11.135
  228    HZ1  LYS 704           HZ1      LYS 704  -4.391   8.431  -9.537
  229    HZ2  LYS 704           HZ2      LYS 704  -4.164   6.842  -9.729
  230    HZ3  LYS 704           HZ3      LYS 704  -3.995   7.864 -11.004
  231    H    ARG 705           H        ARG 705  -4.392  13.358  -9.434
  232    HA   ARG 705           HA       ARG 705  -5.248  14.509 -11.983
  233    HB2  ARG 705           HB2      ARG 705  -5.013  15.727  -9.736
  234    HB3  ARG 705           HB3      ARG 705  -3.251  15.414  -9.827
  235    HG2  ARG 705           HG2      ARG 705  -3.371  16.825 -11.977
  236    HG3  ARG 705           HG3      ARG 705  -4.999  17.280 -11.389
  237    HD2  ARG 705           HD2      ARG 705  -2.434  17.524  -9.745
  238    HD3  ARG 705           HD3      ARG 705  -3.082  18.844 -10.718
  239    HE   ARG 705           HE       ARG 705  -5.215  18.528  -9.353
  240   HH11  ARG 705          HH11      ARG 705  -2.004  17.951  -7.808
  241   HH12  ARG 705          HH12      ARG 705  -2.623  18.517  -6.261
  242   HH21  ARG 705          HH21      ARG 705  -5.799  19.372  -7.265
  243   HH22  ARG 705          HH22      ARG 705  -4.656  19.300  -5.976
  244    H    THR 706           H        THR 706  -2.330  13.279 -10.389
  245    HA   THR 706           HA       THR 706  -0.722  13.793 -12.810
  246    HB   THR 706           HB       THR 706   0.549  13.301 -10.168
  247    HG1  THR 706           HG1      THR 706  -0.108  14.825  -9.125
  248   HG21  THR 706          HG21      THR 706   0.674  15.638 -12.128
  249   HG22  THR 706          HG22      THR 706   1.851  15.285 -10.843
  250   HG23  THR 706          HG23      THR 706   1.728  14.196 -12.245
  251    H    GLY 707           H        GLY 707  -2.046  11.727 -13.359
  252    HA2  GLY 707           HA2      GLY 707  -1.724   9.498 -14.033
  253    HA3  GLY 707           HA3      GLY 707  -0.363   9.340 -12.898
  Start of MODEL   20
    1    H1   GLY  -3           H1       GLY  -3  -2.016   8.754  -9.276
    2    H2   GLY  -3           H2       GLY  -3  -0.700   9.359 -10.050
    3    H3   GLY  -3           H3       GLY  -3  -1.426   7.994 -10.595
    4    HA2  GLY  -3           HA2      GLY  -3   0.647   7.532  -9.435
    5    HA3  GLY  -3           HA3      GLY  -3  -0.079   8.294  -7.996
    6    H    HIS  -2           H        HIS  -2  -1.093   6.887  -6.590
    7    HA   HIS  -2           HA       HIS  -2  -2.804   4.808  -7.611
    8    HB2  HIS  -2           HB2      HIS  -2  -0.630   3.592  -7.391
    9    HB3  HIS  -2           HB3      HIS  -2  -0.514   4.125  -5.710
   10    HD1  HIS  -2           HD1      HIS  -2  -3.043   2.084  -7.864
   11    HD2  HIS  -2           HD2      HIS  -2  -1.613   2.557  -3.928
   12    HE1  HIS  -2           HE1      HIS  -2  -4.359   0.447  -6.399
   13    H    MET  -1           H        MET  -1  -4.011   3.929  -5.509
   14    HA   MET  -1           HA       MET  -1  -5.303   6.167  -4.456
   15    HB2  MET  -1           HB2      MET  -1  -6.155   3.766  -4.730
   16    HB3  MET  -1           HB3      MET  -1  -5.342   3.390  -3.210
   17    HG2  MET  -1           HG2      MET  -1  -7.684   3.863  -2.788
   18    HG3  MET  -1           HG3      MET  -1  -6.718   5.158  -2.091
   19    HE1  MET  -1           HE1      MET  -1  -9.640   5.718  -2.174
   20    HE2  MET  -1           HE2      MET  -1  -8.464   7.012  -1.851
   21    HE3  MET  -1           HE3      MET  -1  -9.776   7.277  -3.017
   22    H    PHE 679           H        PHE 679  -2.397   4.697  -3.285
   23    HA   PHE 679           HA       PHE 679  -2.125   6.808  -1.423
   24    HB2  PHE 679           HB2      PHE 679  -2.244   3.926  -0.431
   25    HB3  PHE 679           HB3      PHE 679  -1.149   5.066   0.339
   26    HD1  PHE 679           HD2      PHE 679  -2.657   7.584   0.378
   27    HD2  PHE 679           HD1      PHE 679  -3.944   3.568   1.283
   28    HE1  PHE 679           HE2      PHE 679  -4.398   8.482   1.774
   29    HE2  PHE 679           HE1      PHE 679  -5.722   4.522   2.794
   30    HZ   PHE 679           HZ       PHE 679  -5.939   6.951   3.039
   31    HA   PRO 680           HA       PRO 680   1.877   6.484  -3.229
   32    HB2  PRO 680           HB2      PRO 680   3.131   7.097  -0.566
   33    HB3  PRO 680           HB3      PRO 680   3.348   7.927  -2.127
   34    HG2  PRO 680           HG2      PRO 680   1.823   9.037  -0.169
   35    HG3  PRO 680           HG3      PRO 680   1.315   9.105  -1.889
   36    HD2  PRO 680           HD2      PRO 680   0.383   7.183   0.255
   37    HD3  PRO 680           HD3      PRO 680  -0.586   8.104  -0.927
   38    H    SER 681           H        SER 681   1.499   4.985  -0.086
   39    HA   SER 681           HA       SER 681   1.613   2.640   0.271
   40    HB2  SER 681           HB2      SER 681   4.325   2.651  -1.089
   41    HB3  SER 681           HB3      SER 681   3.505   1.269  -0.343
   42    HG   SER 681           HG       SER 681   2.772   2.757  -2.606
   43    H    ASP 682           H        ASP 682   2.585   5.380   1.405
   44    HA   ASP 682           HA       ASP 682   4.681   4.473   3.270
   45    HB2  ASP 682           HB2      ASP 682   5.288   6.818   3.345
   46    HB3  ASP 682           HB3      ASP 682   5.241   6.273   1.669
   47    H    ILE 683           H        ILE 683   1.619   6.275   3.102
   48    HA   ILE 683           HA       ILE 683   1.574   6.696   5.947
   49    HB   ILE 683           HB       ILE 683  -0.675   7.784   5.375
   50   HG12  ILE 683          HG12      ILE 683   0.060   7.056   2.554
   51   HG13  ILE 683          HG13      ILE 683  -1.456   6.864   3.431
   52   HG21  ILE 683          HG21      ILE 683   1.693   8.936   3.887
   53   HG22  ILE 683          HG22      ILE 683   0.364   9.788   4.727
   54   HG23  ILE 683          HG23      ILE 683   1.574   8.916   5.671
   55   HD11  ILE 683          HD11      ILE 683  -1.667   9.389   3.471
   56   HD12  ILE 683          HD12      ILE 683  -0.219   9.476   2.440
   57   HD13  ILE 683          HD13      ILE 683  -1.658   8.674   1.856
   58    H    ASP 684           H        ASP 684   0.350   5.929   7.456
   59    HA   ASP 684           HA       ASP 684  -1.059   3.413   7.171
   60    HB2  ASP 684           HB2      ASP 684  -0.037   3.920   9.289
   61    HB3  ASP 684           HB3      ASP 684  -0.791   5.518   9.356
   62    HA   PRO 685           HA       PRO 685  -4.445   5.445   5.328
   63    HB2  PRO 685           HB2      PRO 685  -6.501   3.666   5.483
   64    HB3  PRO 685           HB3      PRO 685  -5.003   3.315   4.561
   65    HG2  PRO 685           HG2      PRO 685  -5.732   2.380   7.333
   66    HG3  PRO 685           HG3      PRO 685  -5.004   1.440   5.991
   67    HD2  PRO 685           HD2      PRO 685  -3.619   2.634   8.077
   68    HD3  PRO 685           HD3      PRO 685  -2.862   2.271   6.478
   69    H    GLN 686           H        GLN 686  -4.782   4.534   8.767
   70    HA   GLN 686           HA       GLN 686  -7.257   6.043   9.088
   71    HB2  GLN 686           HB2      GLN 686  -5.306   4.754  11.035
   72    HB3  GLN 686           HB3      GLN 686  -6.526   5.869  11.581
   73    HG2  GLN 686           HG2      GLN 686  -7.052   3.278  10.072
   74    HG3  GLN 686           HG3      GLN 686  -7.241   3.533  11.810
   75   HE21  GLN 686          HE22      GLN 686  -8.599   6.077  11.915
   76   HE22  GLN 686          HE21      GLN 686 -10.129   5.868  11.105
   77    H    VAL 687           H        VAL 687  -3.729   6.414   9.706
   78    HA   VAL 687           HA       VAL 687  -3.886   9.047  10.720
   79    HB   VAL 687           HB       VAL 687  -1.638   7.675   9.169
   80   HG11  VAL 687          HG11      VAL 687  -1.206  10.090   9.156
   81   HG12  VAL 687          HG12      VAL 687  -1.524  10.183  10.899
   82   HG13  VAL 687          HG13      VAL 687  -0.107   9.296  10.294
   83   HG21  VAL 687          HG21      VAL 687  -0.679   7.260  11.426
   84   HG22  VAL 687          HG22      VAL 687  -2.087   8.056  12.171
   85   HG23  VAL 687          HG23      VAL 687  -2.285   6.532  11.305
   86    H    PHE 688           H        PHE 688  -3.711   7.988   7.247
   87    HA   PHE 688           HA       PHE 688  -3.874  10.680   6.296
   88    HB2  PHE 688           HB2      PHE 688  -3.338   8.778   4.821
   89    HB3  PHE 688           HB3      PHE 688  -4.966   8.136   5.039
   90    HD1  PHE 688           HD1      PHE 688  -3.215  11.317   4.070
   91    HD2  PHE 688           HD2      PHE 688  -6.759   8.897   3.618
   92    HE1  PHE 688           HE1      PHE 688  -4.083  12.870   2.356
   93    HE2  PHE 688           HE2      PHE 688  -7.547  10.384   1.806
   94    HZ   PHE 688           HZ       PHE 688  -6.164  12.348   1.125
   95    H    TYR 689           H        TYR 689  -6.594   8.301   6.903
   96    HA   TYR 689           HA       TYR 689  -8.420  10.288   5.853
   97    HB2  TYR 689           HB2      TYR 689  -8.703   7.496   6.946
   98    HB3  TYR 689           HB3      TYR 689 -10.128   8.510   6.676
   99    HD1  TYR 689           HD1      TYR 689 -10.182   9.712   4.295
  100    HD2  TYR 689           HD2      TYR 689  -8.138   6.036   5.166
  101    HE1  TYR 689           HE1      TYR 689 -10.181   9.171   1.889
  102    HE2  TYR 689           HE2      TYR 689  -8.122   5.470   2.753
  103    HH   TYR 689           HH       TYR 689  -8.602   6.221   0.608
  104    H    GLU 690           H        GLU 690  -7.147   9.859   9.019
  105    HA   GLU 690           HA       GLU 690  -9.258  11.441  10.277
  106    HB2  GLU 690           HB2      GLU 690  -6.559  10.400  11.208
  107    HB3  GLU 690           HB3      GLU 690  -7.604  11.422  12.206
  108    HG2  GLU 690           HG2      GLU 690  -9.428   9.807  12.109
  109    HG3  GLU 690           HG3      GLU 690  -8.556   8.797  10.968
  110    H    LEU 691           H        LEU 691  -6.969  12.266   8.012
  111    HA   LEU 691           HA       LEU 691  -6.289  14.901   9.031
  112    HB2  LEU 691           HB2      LEU 691  -6.390  13.747   6.210
  113    HB3  LEU 691           HB3      LEU 691  -5.805  15.357   6.571
  114    HG   LEU 691           HG       LEU 691  -4.491  12.760   7.455
  115   HD11  LEU 691          HD11      LEU 691  -4.220  13.463   5.084
  116   HD12  LEU 691          HD12      LEU 691  -3.497  14.986   5.651
  117   HD13  LEU 691          HD13      LEU 691  -2.708  13.429   5.998
  118   HD21  LEU 691          HD21      LEU 691  -4.158  14.342   9.272
  119   HD22  LEU 691          HD22      LEU 691  -2.670  14.173   8.357
  120   HD23  LEU 691          HD23      LEU 691  -3.682  15.626   8.121
  121    HA   PRO 692           HA       PRO 692 -10.092  17.019   8.217
  122    HB2  PRO 692           HB2      PRO 692  -8.629  19.085   6.599
  123    HB3  PRO 692           HB3      PRO 692  -9.682  19.310   8.033
  124    HG2  PRO 692           HG2      PRO 692  -6.970  19.523   8.228
  125    HG3  PRO 692           HG3      PRO 692  -7.927  18.712   9.514
  126    HD2  PRO 692           HD2      PRO 692  -6.431  17.422   7.206
  127    HD3  PRO 692           HD3      PRO 692  -6.401  16.977   8.958
  128    H    GLU 693           H        GLU 693 -11.690  16.961   6.631
  129    HA   GLU 693           HA       GLU 693 -11.348  15.323   4.468
  130    HB2  GLU 693           HB2      GLU 693 -13.410  15.908   5.739
  131    HB3  GLU 693           HB3      GLU 693 -13.508  17.445   4.898
  132    HG2  GLU 693           HG2      GLU 693 -13.366  15.005   3.153
  133    HG3  GLU 693           HG3      GLU 693 -14.775  15.106   4.195
  134    H    ALA 694           H        ALA 694 -11.125  18.886   4.348
  135    HA   ALA 694           HA       ALA 694 -10.810  18.886   1.503
  136    HB1  ALA 694           HB1      ALA 694 -11.524  20.903   2.779
  137    HB2  ALA 694           HB2      ALA 694  -9.913  20.974   3.544
  138    HB3  ALA 694           HB3      ALA 694 -10.080  21.222   1.795
  139    H    VAL 695           H        VAL 695  -8.480  18.325   4.082
  140    HA   VAL 695           HA       VAL 695  -6.211  18.740   2.339
  141    HB   VAL 695           HB       VAL 695  -6.470  17.237   4.978
  142   HG11  VAL 695          HG11      VAL 695  -4.646  16.219   3.735
  143   HG12  VAL 695          HG12      VAL 695  -3.967  17.817   3.357
  144   HG13  VAL 695          HG13      VAL 695  -3.987  17.235   5.037
  145   HG21  VAL 695          HG21      VAL 695  -6.728  19.692   5.192
  146   HG22  VAL 695          HG22      VAL 695  -5.208  19.148   5.916
  147   HG23  VAL 695          HG23      VAL 695  -5.203  19.931   4.316
  148    H    GLN 696           H        GLN 696  -8.288  16.018   3.393
  149    HA   GLN 696           HA       GLN 696  -6.876  13.989   2.111
  150    HB2  GLN 696           HB2      GLN 696  -9.898  14.197   2.405
  151    HB3  GLN 696           HB3      GLN 696  -9.022  12.744   1.964
  152    HG2  GLN 696           HG2      GLN 696  -7.981  12.624   4.154
  153    HG3  GLN 696           HG3      GLN 696  -8.639  14.198   4.604
  154   HE21  GLN 696          HE22      GLN 696  -9.905  13.383   6.372
  155   HE22  GLN 696          HE21      GLN 696 -11.190  12.236   6.150
  156    H    LYS 697           H        LYS 697  -9.636  15.911   0.897
  157    HA   LYS 697           HA       LYS 697  -9.822  14.927  -1.695
  158    HB2  LYS 697           HB2      LYS 697 -10.406  17.602  -0.548
  159    HB3  LYS 697           HB3      LYS 697 -10.655  17.222  -2.269
  160    HG2  LYS 697           HG2      LYS 697 -12.019  15.236  -1.710
  161    HG3  LYS 697           HG3      LYS 697 -11.756  15.514   0.038
  162    HD2  LYS 697           HD2      LYS 697 -12.702  17.715  -0.170
  163    HD3  LYS 697           HD3      LYS 697 -12.981  17.433  -1.922
  164    HE2  LYS 697           HE2      LYS 697 -14.659  15.757  -1.479
  165    HE3  LYS 697           HE3      LYS 697 -14.101  15.578   0.195
  166    HZ1  LYS 697           HZ1      LYS 697 -16.026  16.778   0.391
  167    HZ2  LYS 697           HZ2      LYS 697 -14.864  17.752   0.693
  168    HZ3  LYS 697           HZ3      LYS 697 -15.619  17.919  -0.790
  169    H    GLU 698           H        GLU 698  -7.538  17.520  -0.569
  170    HA   GLU 698           HA       GLU 698  -6.633  18.014  -3.240
  171    HB2  GLU 698           HB2      GLU 698  -6.258  19.218  -0.747
  172    HB3  GLU 698           HB3      GLU 698  -4.658  18.560  -1.097
  173    HG2  GLU 698           HG2      GLU 698  -6.333  20.477  -2.769
  174    HG3  GLU 698           HG3      GLU 698  -4.796  20.818  -1.978
  175    H    LEU 699           H        LEU 699  -5.347  15.836  -0.605
  176    HA   LEU 699           HA       LEU 699  -3.208  14.832  -2.210
  177    HB2  LEU 699           HB2      LEU 699  -4.718  13.981   0.253
  178    HB3  LEU 699           HB3      LEU 699  -3.658  12.821  -0.520
  179    HG   LEU 699           HG       LEU 699  -2.702  14.129   1.371
  180   HD11  LEU 699          HD11      LEU 699  -1.286  12.902  -0.194
  181   HD12  LEU 699          HD12      LEU 699  -1.202  14.313  -1.267
  182   HD13  LEU 699          HD13      LEU 699  -0.468  14.371   0.352
  183   HD21  LEU 699          HD21      LEU 699  -1.781  16.320   1.093
  184   HD22  LEU 699          HD22      LEU 699  -2.528  16.472  -0.513
  185   HD23  LEU 699          HD23      LEU 699  -3.545  16.331   0.940
  186    H    LEU 700           H        LEU 700  -6.633  13.790  -1.970
  187    HA   LEU 700           HA       LEU 700  -6.330  11.456  -3.616
  188    HB2  LEU 700           HB2      LEU 700  -8.706  13.367  -3.389
  189    HB3  LEU 700           HB3      LEU 700  -8.736  11.824  -4.216
  190    HG   LEU 700           HG       LEU 700  -8.372  12.209  -1.219
  191   HD11  LEU 700          HD11      LEU 700 -10.705  11.110  -2.825
  192   HD12  LEU 700          HD12      LEU 700 -10.598  11.237  -1.051
  193   HD13  LEU 700          HD13      LEU 700 -10.641  12.706  -2.035
  194   HD21  LEU 700          HD21      LEU 700  -7.161  10.210  -1.895
  195   HD22  LEU 700          HD22      LEU 700  -8.645   9.750  -1.069
  196   HD23  LEU 700          HD23      LEU 700  -8.553   9.646  -2.845
  197    H    ALA 701           H        ALA 701  -6.908  14.916  -4.362
  198    HA   ALA 701           HA       ALA 701  -7.077  14.586  -7.183
  199    HB1  ALA 701           HB1      ALA 701  -6.684  16.984  -7.321
  200    HB2  ALA 701           HB2      ALA 701  -7.827  16.641  -6.010
  201    HB3  ALA 701           HB3      ALA 701  -6.137  17.043  -5.644
  202    H    GLU 702           H        GLU 702  -4.239  15.318  -5.033
  203    HA   GLU 702           HA       GLU 702  -2.302  15.395  -7.049
  204    HB2  GLU 702           HB2      GLU 702  -1.986  16.005  -4.611
  205    HB3  GLU 702           HB3      GLU 702  -1.960  14.291  -4.221
  206    HG2  GLU 702           HG2      GLU 702   0.314  15.076  -4.345
  207    HG3  GLU 702           HG3      GLU 702   0.040  13.992  -5.704
  208    H    TRP 703           H        TRP 703  -3.471  12.571  -5.158
  209    HA   TRP 703           HA       TRP 703  -1.822  10.692  -6.507
  210    HB2  TRP 703           HB2      TRP 703  -4.336  10.377  -4.859
  211    HB3  TRP 703           HB3      TRP 703  -3.364   9.027  -5.439
  212    HD1  TRP 703           HD1      TRP 703  -0.494  10.644  -4.792
  213    HE1  TRP 703           HE1      TRP 703   0.209  10.997  -2.367
  214    HE3  TRP 703           HE3      TRP 703  -4.960   9.693  -2.529
  215    HZ2  TRP 703           HZ2      TRP 703  -0.947  10.642   0.258
  216    HZ3  TRP 703           HZ3      TRP 703  -5.162   9.793  -0.060
  217    HH2  TRP 703           HH2      TRP 703  -3.145  10.281   1.329
  218    H    LYS 704           H        LYS 704  -4.687  12.293  -7.637
  219    HA   LYS 704           HA       LYS 704  -4.665  10.462  -9.970
  220    HB2  LYS 704           HB2      LYS 704  -6.828  11.033  -8.806
  221    HB3  LYS 704           HB3      LYS 704  -6.588  12.708  -9.266
  222    HG2  LYS 704           HG2      LYS 704  -8.176  11.828 -10.732
  223    HG3  LYS 704           HG3      LYS 704  -6.732  12.022 -11.691
  224    HD2  LYS 704           HD2      LYS 704  -7.801   9.414 -10.524
  225    HD3  LYS 704           HD3      LYS 704  -8.049   9.961 -12.174
  226    HE2  LYS 704           HE2      LYS 704  -5.413   9.066 -10.944
  227    HE3  LYS 704           HE3      LYS 704  -6.372   8.219 -12.146
  228    HZ1  LYS 704           HZ1      LYS 704  -4.990  10.799 -12.578
  229    HZ2  LYS 704           HZ2      LYS 704  -4.474   9.371 -13.070
  230    HZ3  LYS 704           HZ3      LYS 704  -5.836   9.959 -13.740
  231    H    ARG 705           H        ARG 705  -3.442  13.650  -9.099
  232    HA   ARG 705           HA       ARG 705  -3.060  14.594 -11.829
  233    HB2  ARG 705           HB2      ARG 705  -1.558  15.190  -9.226
  234    HB3  ARG 705           HB3      ARG 705  -1.177  15.942 -10.765
  235    HG2  ARG 705           HG2      ARG 705  -3.514  16.843 -10.857
  236    HG3  ARG 705           HG3      ARG 705  -3.744  16.294  -9.198
  237    HD2  ARG 705           HD2      ARG 705  -1.518  18.181 -10.038
  238    HD3  ARG 705           HD3      ARG 705  -3.090  18.736  -9.501
  239    HE   ARG 705           HE       ARG 705  -0.975  17.417  -7.868
  240   HH11  ARG 705          HH11      ARG 705  -4.351  18.591  -7.795
  241   HH12  ARG 705          HH12      ARG 705  -4.264  19.045  -6.121
  242   HH21  ARG 705          HH21      ARG 705  -0.889  18.139  -5.684
  243   HH22  ARG 705          HH22      ARG 705  -2.345  18.788  -4.931
  244    H    THR 706           H        THR 706  -1.200  12.677  -9.530
  245    HA   THR 706           HA       THR 706   1.186  12.580 -11.063
  246    HB   THR 706           HB       THR 706   1.785  10.896  -9.202
  247    HG1  THR 706           HG1      THR 706  -0.610  11.781  -8.020
  248   HG21  THR 706          HG21      THR 706   1.712  12.644  -7.424
  249   HG22  THR 706          HG22      THR 706   2.315  13.265  -8.969
  250   HG23  THR 706          HG23      THR 706   0.663  13.637  -8.459
  251    H    GLY 707           H        GLY 707  -1.047  11.518 -12.681
  252    HA2  GLY 707           HA2      GLY 707  -0.757   9.728 -14.334
  253    HA3  GLY 707           HA3      GLY 707  -0.246   8.641 -13.034