*HEADER    BIOSYNTHETIC PROTEIN                    22-MAR-05   1Z6H              
*TITLE     SOLUTION STRUCTURE OF BACILLUS SUBTILIS BLAP BIOTINYLATED-            
*TITLE    2 FORM                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BIOTIN/LIPOYL ATTACHMENT PROTEIN;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET 21A(+)                                
*KEYWDS    BACILLUS SUBTILIS, SINGLE-DOMAIN BIOTIN/LIPOYL ATTACHMENT             
*KEYWDS   2 PROTEIN, SOLUTION STRUCTURE                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.CUI, B.XIA                                                          
*REVDAT   1   22-MAR-06 1Z6H    0                                                


./all.rst0100664000076400007640000341447110220044505010616 0ustar  cgfcgf#
# 35  BTL  HN3  35  BTL  H62  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 35  BTL  HN3  35  BTL  H63  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN3  35  BTL  H5  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN3  35  BTL  H4  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  HN2  35  BTL  H72  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 542, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN2  35  BTL  H73  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN2  35  BTL  H4  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H62  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H63  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H4  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H2  35  BTL  H82  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H2  35  BTL  H83  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 540, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H2  35  BTL  H73  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H4  35  BTL  H62  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H2  35  BTL  H62  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H102  35  BTL  H83  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H103  35  BTL  H83  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H102  35  BTL  H92  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 536, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H103  35  BTL  H92  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H73  35  BTL  H82  4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H92  35  BTL  H82  5.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35  BTL  H4  35  BTL  H63  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H2  35  BTL  H63  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H4  35  BTL  H5  2.8    
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H63  35  BTL  H5  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H62  35  BTL  H2  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H62  35  BTL  H5  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H92  35  BTL  H102  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H92  35  BTL  H103  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H73  35  BTL  H2  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H83  35  BTL  H2  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H82  35  BTL  H2  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H83  35  BTL  H102  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H82  35  BTL  H73  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H63  35  BTL  H2  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:0       22 ILE  QD1         5.50    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 311, 746,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1       22 ILE  QD1         5.50    (#      1:25  Single Ambig)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 711, 729, 296,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:2       22 ILE  QD1         5.50    (#      2:25  Single Ambig)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 665, 722, 723,
 igr2= 324, 325, 326,
 &end
#
#   26 GLN  HB3          22 ILE  QD1         5.50    (#      4:25  Preassigned    4.73, 5.86 A)
 &rst
  ixpk= 4, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HB           22 ILE  QD1         3.50    (#      5:25  Preassigned    2.43, 3.15 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HG1+         22 ILE  QD1         2.80    (#      7:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 321, 322,
 igr2= 324, 325, 326,
 &end
#
#   42 ALA  HN           22 ILE  QD1         5.50    (#      8:25  Unique         4.59, 5.76 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#    3 VAL  HB           22 ILE  QD1         7.00    (#      9:25  Preassigned    5.38, 5.90 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:10      22 ILE  QD1         5.50    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 330, 720, 709, 374,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:11      22 ILE  QD1         5.50    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 685, 386,
 igr2= 324, 325, 326,
 &end
#
#   26 GLN  HE22         22 ILE  QD1         5.50    (#     12:25  Preassigned    5.73, 6.63 A)
 &rst
  ixpk= 12, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HA           22 ILE  QD1         4.50    (#     13:25  Preassigned    4.73, 5.13 A)
 &rst
  ixpk= 13, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:14      22 ILE  QD1         5.50    (#     14:25  Single Ambig)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 231,
 igr2= 324, 325, 326,
 &end
#
#   42 ALA  QB           22 ILE  QD1         2.80    (#     15:25  Preassigned    2.29, 3.85 A)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 667, 668, 669,
 igr2= 324, 325, 326,
 &end
#
#   68 LEU  HB2          22 ILE  QD1         5.50    (#     16:25  Preassigned    5.28, 6.38 A)
 &rst
  ixpk= 16, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   44 ARG  HG-          22 ILE  QD1         5.50    (#     17:25  Preassigned    4.32, 6.42 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         3.50    (#     18:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 324, 325, 326,
 &end
#
#   48 VAL  QG2          22 ILE  QD1         2.80    (#     19:25  Preassigned    2.36, 4.07 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 757, 758,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:20      30 ILE  QD1         5.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616, 424,
 igr2= 445, 446, 447,
 &end
#
#   31 LEU  HN           30 ILE  QD1         5.50    (#     22:25  Preassigned    5.57, 6.08 A)
 &rst
  ixpk= 22, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HN           30 ILE  QD1         5.50    (#     23:25  Preassigned    4.80, 5.28 A)
 &rst
  ixpk= 23, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   40 ILE  HN           30 ILE  QD1         5.50    (#     24:25  Unique         5.76, 6.06 A)
 &rst
  ixpk= 24, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HN           30 ILE  QD1         5.50    (#     25:25  Preassigned    4.42, 5.38 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:26      30 ILE  QD1         4.50    (#     26:25  Single Ambig)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 220, 161, 167,
 igr2= 445, 446, 447,
 &end
#
#   12 TRP  HZ3          30 ILE  QD1         4.50    (#     27:25  Preassigned    4.36, 5.59 A)
 &rst
  ixpk= 27, nxpk= 25, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HA           30 ILE  QD1         5.50    (#     29:25  Preassigned    4.24, 4.90 A)
 &rst
  ixpk= 29, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:30      30 ILE  QD1         4.50    (#     30:25  Single Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 434, 174,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HB+          30 ILE  QD1         5.50    (#     31:25  Preassigned    4.28, 5.77 A)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 621, 622,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HE+          30 ILE  QD1         5.50    (#     32:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 185, 186,
 igr2= 445, 446, 447,
 &end
#
#   37 GLU  QB           30 ILE  QD1         5.50    (#     33:25  Preassigned    5.19, 7.38 A)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 584, 585,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HB           30 ILE  QD1         3.50    (#     34:25  Preassigned    2.48, 3.19 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#     36:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 442, 443,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:37      30 ILE  QD1         4.50    (#     37:25  Single Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 182, 183, 177,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HG-          30 ILE  QD1         4.50    (#     39:25  Preassigned    3.66, 5.52 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 179, 180,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HG+          30 ILE  QD1         5.50    (#     40:25  Preassigned    3.66, 5.52 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 179, 180,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HB-          30 ILE  QD1         5.50    (#     41:25  Preassigned    4.28, 5.77 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 621, 622,
 igr2= 445, 446, 447,
 &end
#
#   38 ILE  HN           38 ILE  QD1         5.50    (#     42:25  Preassigned    2.61, 5.05 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HN           38 ILE  QD1         5.50    (#     43:25  Preassigned    3.64, 5.75 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HN           38 ILE  QD1         5.50    (#     44:25  Unique         4.91, 6.69 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   32 GLU  HA           38 ILE  QD1         5.50    (#     45:25  Preassigned    4.10, 6.68 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HA           38 ILE  QD1         4.50    (#     46:25  Preassigned    3.93, 4.84 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   38 GLU  HA           37 ILE  QD1         5.50    (#     47:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 47, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   39 PRO  HD-          38 ILE  QD1         5.50    (#     48:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HB2          38 ILE  QD1         5.50    (#     49:25  Preassigned    2.24, 3.43 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HB3          38 ILE  QD1         4.50    (#     50:25  Preassigned    2.92, 3.94 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HG-          38 ILE  QD1         5.50    (#     51:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571,
 igr2= 608, 609, 610,
 &end
#
#    7 MET  QG           38 ILE  QD1         5.50    (#     52:25  Preassigned    2.30, 3.41 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HB2          38 ILE  QD1         4.50    (#     53:25  Preassigned    2.96, 4.65 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#    7 MET  QE           38 ILE  QD1         4.50    (#     54:25  Preassigned    2.69, 4.55 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  92,  93,  94,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HB           38 ILE  QD1         4.50    (#     55:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 55, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   31 LEU  HB3          38 ILE  QD1         5.50    (#     56:25  Preassigned    2.99, 4.47 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HG1+         38 ILE  QD1         3.50    (#     57:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 608, 609, 610,
 &end
#
#   40 ILE  HG1-         38 ILE  QD1         5.50    (#     58:25  Preassigned    6.23, 7.33 A)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HG1-         38 ILE  QD1         3.50    (#     59:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 608, 609, 610,
 &end
#
#    0 AMB  25-3:60      38 ILE  QD1         4.50    (#     60:25  Single Ambig)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 608, 609, 610,
 &end
#
#   39 PRO  HD+          38 ILE  QD1         5.50    (#     61:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 608, 609, 610,
 &end
#
#   40 PRO  HA           39 ILE  QD1         5.50    (#     62:25  Preassigned    4.49, 5.26 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  25-3:63       0 AMB  25-1:63     5.50    (#     63:25  Double Ambig)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  64, 451,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   30 ILE  HN           40 ILE  QD1         5.50    (#     64:25  Unique         3.08, 5.96 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 641, 642, 643,
 &end
#
#    5 ILE  HN            5 ILE  QD1         4.50    (#     65:25  Unique         2.12, 4.24 A)
 &rst
  ixpk= 65, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:66       0 AMB  25-1:66     5.50    (#     66:25  Double Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 434, 937,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   40 ILE  HA           40 ILE  QD1         4.50    (#     67:25  Preassigned    2.19, 3.62 A)
 &rst
  ixpk= 67, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 641, 642, 643,
 &end
#
#   31 LEU  HB3           0 AMB  25-1:68     4.50    (#     68:25  Single Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:69       0 AMB  25-1:69     3.50    (#     69:25  Double Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 632,1020,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    5 ILE  HG1-          5 ILE  QD1         2.80    (#     70:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  55,  56,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:71       0 AMB  25-1:71     2.80    (#     71:25  Double Ambig)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 638, 639, 638, 639, 455,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:72       0 AMB  25-1:72     2.80    (#     72:25  Double Ambig)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 638, 639,1019,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:73       0 AMB  25-1:73     2.80    (#     73:25  Double Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466, 460, 461,
       462, 464, 465, 466,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   65 LEU  HN            5 ILE  QD1         7.00    (#     75:25  Preassigned    3.72, 6.27 A)
 &rst
  ixpk= 75, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    5 SER  HA            4 ILE  QD1         5.50    (#     76:25  Preassigned    3.08, 5.36 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#   63 ASP  HN            5 ILE  QD1         7.00    (#     77:25  Preassigned    4.43, 6.75 A)
 &rst
  ixpk= 77, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    5 ILE  HA            5 ILE  QD1         4.50    (#     78:25  Preassigned    2.12, 3.13 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   53 LYS  QE            5 ILE  QD1         5.50    (#     79:25  Preassigned    3.62, 6.97 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851,
 igr2=  58,  59,  60,
 &end
#
#   63 ASP  HB3           5 ILE  QD1         5.50    (#     80:25  Preassigned    2.57, 5.75 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    6 GLN  HG-          40 ILE  QD1         5.50    (#     81:25  Preassigned    2.53, 5.66 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  71,  72,
 igr2= 641, 642, 643,
 &end
#
#   59 VAL  HB            5 ILE  QD1         4.50    (#     82:25  Preassigned    2.38, 4.22 A)
 &rst
  ixpk= 82, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    6 GLN  HB3           0 AMB  25-1:83     5.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    5 ILE  HB            5 ILE  QD1         4.50    (#     84:25  Preassigned    2.32, 3.92 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    5 ILE  HG1+          5 ILE  QD1         2.80    (#     85:25  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  55,  56,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:86       0 AMB  25-1:86     2.80    (#     86:25  Double Ambig)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  58,  59,  60, 641, 642, 643,
 &end
#
#   60 ASN  HN            5 ILE  QD1         5.50    (#     87:25  Preassigned    3.35, 6.08 A)
 &rst
  ixpk= 87, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    7 MET  HN            0 AMB  25-1:88     5.50    (#     88:25  Single Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:89      45 SER  HB3         3.50    (#     89:25  Single Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 720, 345, 709,
 &end
#
#   45 ARG  HA           44 SER  HB3         7.00    (#     91:25  Preassigned    5.67, 5.74 A)
 &rst
  ixpk= 91, nxpk= 25, iat= 687, 714, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:94      45 SER  HB3         5.50    (#     94:25  Single Ambig)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 315,
 &end
#
#    0 AMB  25-3:95      45 SER  HB2         3.50    (#     95:25  Single Ambig)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 709, 720,
 &end
#
#   46 GLY  HA+          45 SER  HB2         5.50    (#     97:25  Preassigned    4.21, 4.69 A)
 &rst
  ixpk= 97, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   45 ARG  HA           44 SER  HB2         5.50    (#    100:25  Preassigned    4.76, 4.84 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 687, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN            4 SER  HB3         5.50    (#    103:25  Preassigned    4.00, 4.15 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 980,  39, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA            0 AMB  25-1:105    5.50    (#    105:25  Single Ambig)
 &rst
  ixpk= 105, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:106      4 SER  HB3         5.50    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,1003,
 &end
#
#   65 LEU  HB2           0 AMB  25-1:107    5.50    (#    107:25  Single Ambig)
 &rst
  ixpk= 107, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    5 ILE  QG2           4 SER  HB3         5.50    (#    108:25  Unique         6.15, 6.70 A)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   64 VAL  QG1           0 AMB  25-1:109    5.50    (#    109:25  Single Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2=  39,  38,
 &end
#
#   65 LEU  HN            0 AMB  25-1:110    5.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HA            0 AMB  25-1:111    3.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:112      0 AMB  25-1:112    5.50    (#    112:25  Double Ambig)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 982, 983, 982, 983,
 igr2=  39,  38,
 &end
#
#   61 GLU  HA            0 AMB  25-1:113    5.50    (#    113:25  Single Ambig)
 &rst
  ixpk= 113, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HN            0 AMB  25-1:114    5.50    (#    114:25  Single Ambig)
 &rst
  ixpk= 114, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  38,  39,
 &end
#
#    5 ILE  HN            0 AMB  25-1:117    4.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:119      0 AMB  25-1:119    5.50    (#    119:25  Double Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  20, 989,
 igr2=  38,  39,
 &end
#
#    0 AMB  25-3:120      0 AMB  25-1:120    5.50    (#    120:25  Double Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  24,  25,  26,1009,1010,1011,
 igr2=  38,  39,
 &end
#
#   64 VAL  QG1           0 AMB  25-1:121    5.50    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2=  39,  38,
 &end
#
#   62 GLY  HN            0 AMB  25-1:122    5.50    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HN            4 SER  HB2         5.50    (#    123:25  Preassigned    2.69, 2.71 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  34,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            0 AMB  25-1:124    5.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#   64 VAL  HA            0 AMB  25-1:125    5.50    (#    125:25  Single Ambig)
 &rst
  ixpk= 125, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:129      0 AMB  25-1:129    5.50    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  49,1003,
 igr2=  39,  38,
 &end
#
#   65 LEU  HN            4 SER  HB2         5.50    (#    131:25  Preassigned    5.18, 5.33 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1015,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           48 VAL  HA          2.80    (#    132:25  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 132, nxpk= 25, iat= 762, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HN           48 VAL  HA          4.50    (#    133:25  Preassigned    2.85, 2.88 A)
 &rst
  ixpk= 133, nxpk= 25, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HA           48 VAL  HA          4.50    (#    134:25  Preassigned    2.36, 2.46 A)
 &rst
  ixpk= 134, nxpk= 25, iat=1070, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:135     48 VAL  HA          5.50    (#    135:25  Single Ambig)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 766, 731, 772, 773,
 &end
#
#    0 AMB  25-3:136     48 VAL  HA          5.50    (#    136:25  Single Ambig)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1053, 727,
 &end
#
#   50 GLU  HN           48 VAL  HA          5.50    (#    137:25  Preassigned    3.70, 3.78 A)
 &rst
  ixpk= 137, nxpk= 25, iat= 784, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           48 VAL  HA          5.50    (#    138:25  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 764, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HB           48 VAL  HA          5.50    (#    139:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:140     48 VAL  HA          5.50    (#    140:25  Single Ambig)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1041, 767,
 &end
#
#   48 VAL  QG2          48 VAL  HA          3.50    (#    141:25  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          48 VAL  HA          3.50    (#    142:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   68 LEU  QD2          48 VAL  HA          3.50    (#    143:25  Preassigned    2.14, 2.70 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  25-3:147     47 ILE  QD1         5.50    (#    147:25  Single Ambig)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 311, 746,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HN           47 ILE  QD1         5.50    (#    148:25  Preassigned    4.20, 5.71 A)
 &rst
  ixpk= 148, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HN           47 ILE  QD1         5.50    (#    149:25  Preassigned    3.67, 4.90 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#    0 AMB  25-3:150     47 ILE  QD1         3.50    (#    150:25  Single Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 729, 296,
 igr2= 740, 741, 742,
 &end
#
#   20 ASP  HA           47 ILE  QD1         5.50    (#    151:25  Preassigned    4.83, 6.29 A)
 &rst
  ixpk= 151, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   69 SER  QB           47 ILE  QD1         7.00    (#    152:25  Preassigned    4.17, 6.50 A)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1091,1092,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HG-          47 ILE  QD1         5.50    (#    153:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HG+          47 ILE  QD1         5.50    (#    154:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  QB           47 ILE  QD1         5.50    (#    155:25  Preassigned    2.50, 4.71 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298, 299,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HB           47 ILE  QD1         4.50    (#    156:25  Preassigned    2.59, 3.63 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HG1-         47 ILE  QD1         3.50    (#    157:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 737, 738,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HG1+         47 ILE  QD1         2.80    (#    159:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 737, 738,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  QG2          47 ILE  QD1         2.80    (#    160:25  Preassigned    2.27, 3.68 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 733, 734, 735,
 igr2= 740, 741, 742,
 &end
#
#   71 SER  HA            0 AMB  25-1:163    4.50    (#    163:25  Single Ambig)
 &rst
  ixpk= 163, nxpk= 25, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1116,1117,1116,1117,
 &end
#
#   69 SER  HN           69 SER  QB          4.50    (#    168:25  Preassigned    2.40, 3.05 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1091,1092,
 &end
#
#   47 ILE  HN           69 SER  QB          5.50    (#    169:25  Preassigned    2.93, 4.36 A)
 &rst
  ixpk= 169, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   69 SER  HA           69 SER  QB          3.50    (#    171:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 171, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1091,1092,
 &end
#
#   49 LYS  HA           69 SER  QB          5.50    (#    172:25  Preassigned    4.22, 5.39 A)
 &rst
  ixpk= 172, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   46 GLY  HA+          69 SER  QB          7.00    (#    174:25  Preassigned    5.01, 6.42 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 722, 723,
 igr2=1091,1092,
 &end
#
#   48 VAL  HA           69 SER  QB          7.00    (#    175:25  Preassigned    5.58, 6.47 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-3:176     69 SER  QB          3.50    (#    176:25  Single Ambig)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 731, 766,
 igr2=1091,1092,
 &end
#
#   49 LYS  HB3          69 SER  QB          5.50    (#    177:25  Preassigned    5.27, 6.05 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-3:178     69 SER  QB          5.50    (#    178:25  Single Ambig)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 769, 770,1072,
 igr2=1091,1092,
 &end
#
#   47 ILE  QG2          69 SER  QB          5.50    (#    179:25  Preassigned    3.03, 5.17 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2=1091,1092,
 &end
#
#   49 LYS  HG-          69 SER  QB          7.00    (#    180:25  Preassigned    4.17, 6.17 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 769, 770,
 igr2=1091,1092,
 &end
#
#   65 LEU  HN           64 VAL  HA          3.50    (#    182:25  Preassigned    2.24, 2.32 A)
 &rst
  ixpk= 182, nxpk= 25, iat=1015,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           64 VAL  HA          5.50    (#    183:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 183, nxpk= 25, iat= 999,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           64 VAL  HA          5.50    (#    184:25  Preassigned    4.09, 4.20 A)
 &rst
  ixpk= 184, nxpk= 25, iat=1034,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:185     64 VAL  HA          5.50    (#    185:25  Single Ambig)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#   64 VAL  HB           64 VAL  HA          4.50    (#    186:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 186, nxpk= 25, iat=1003,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:187     64 VAL  HA          5.50    (#    187:25  Single Ambig)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1019, 822, 823,
 &end
#
#   64 VAL  QG2          64 VAL  HA          3.50    (#    188:25  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1009,1010,1011,
 &end
#
#   64 VAL  QG1          64 VAL  HA          3.50    (#    190:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1005,1006,1007,
 &end
#
#    4 SER  HN           64 VAL  HA          5.50    (#    191:25  Preassigned    5.02, 5.13 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  34,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 GLU  HA           32 SER  HB2         5.50    (#    192:25  Preassigned    4.13, 4.16 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 472, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HB2          33 SER  HB2         5.50    (#    193:25  Preassigned    2.38, 2.49 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 567, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HB2         5.50    (#    194:25  Preassigned    4.54, 4.59 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 496, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           33 SER  HB2         5.50    (#    195:25  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA           33 SER  HB2         3.50    (#    196:25  Preassigned    3.00, 3.01 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLY  HA-          33 SER  HB2         5.50    (#    197:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   38 ILE  HG1+         33 SER  HB2         5.50    (#    200:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          33 SER  HB2         4.50    (#    201:25  Preassigned    2.24, 3.43 A)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#    9 GLY  HA+          33 SER  HB2         5.50    (#    202:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    7 MET  QE           33 SER  HB2         5.50    (#    203:25  Preassigned    3.24, 4.38 A)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   31 LEU  HB3          33 SER  HB2         5.50    (#    204:25  Preassigned    3.58, 3.68 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 456, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           33 SER  HB3         4.50    (#    205:25  Preassigned    3.59, 3.66 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:206     33 SER  HB3         7.00    (#    206:25  Single Ambig)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 110, 111, 498,
 &end
#
#   35 BTL  HA           33 SER  HB3         7.00    (#    208:25  Preassigned    7.01, 7.03 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 515, 490, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 MET  QE           33 SER  HB3         5.50    (#    210:25  Preassigned    2.13, 2.97 A)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   38 ILE  HG1+         33 SER  HB3         5.50    (#    211:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          33 SER  HB3         4.50    (#    212:25  Preassigned    2.92, 3.94 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   33 SER  HA           33 SER  HB3         4.50    (#    214:25  Preassigned    2.58, 2.64 A)
 &rst
  ixpk= 214, nxpk= 25, iat= 487, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB2          33 SER  HB3         5.50    (#    216:25  Preassigned    2.98, 3.12 A)
 &rst
  ixpk= 216, nxpk= 25, iat= 567, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         33 SER  HB3         5.50    (#    217:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:218     33 SER  HB3         5.50    (#    218:25  Single Ambig)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   34 MET  HN           33 SER  HB3         5.50    (#    219:25  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 219, nxpk= 25, iat= 496, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           39 PRO  HA          3.50    (#    220:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 220, nxpk= 25, iat= 434, 624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 PRO  HD-          39 PRO  HA          5.50    (#    222:25  Preassigned    3.59, 3.85 A)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   27 GLU  HG+          39 PRO  HA          5.50    (#    223:25  Preassigned    4.01, 4.80 A)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   39 PRO  HG-          39 PRO  HA          5.50    (#    224:25  Preassigned    3.81, 3.97 A)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   39 PRO  HG+          39 PRO  HA          5.50    (#    225:25  Preassigned    3.81, 3.97 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HA          4.50    (#    226:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HB           39 PRO  HA          5.50    (#    227:25  Preassigned    4.68, 4.74 A)
 &rst
  ixpk= 227, nxpk= 25, iat= 632, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           39 PRO  HA          5.50    (#    228:25  Preassigned    3.41, 3.53 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 451, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           39 PRO  HA          2.80    (#    229:25  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 PRO  HD+          39 PRO  HA          5.50    (#    231:25  Preassigned    3.59, 3.85 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HA          3.50    (#    232:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 621, 622,
 &end
#
#   30 ILE  HG1+         39 PRO  HA          5.50    (#    233:25  Preassigned    2.40, 3.35 A)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#    0 AMB  25-3:234     39 PRO  HA          4.50    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#    0 AMB  25-3:235     39 PRO  HA          5.50    (#    235:25  Single Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    5 ILE  HN           64 VAL  HA          5.50    (#    236:25  Preassigned    3.51, 3.63 A)
 &rst
  ixpk= 236, nxpk= 25, iat=  45,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HA           64 VAL  HA          3.50    (#    237:25  Preassigned    2.42, 2.51 A)
 &rst
  ixpk= 237, nxpk= 25, iat=  36,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:238     14 VAL  HA          5.50    (#    238:25  Single Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#   30 ILE  HN           14 VAL  HA          5.50    (#    239:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 239, nxpk= 25, iat= 432, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           14 VAL  HA          5.50    (#    240:25  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 212, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:241     14 VAL  HA          5.50    (#    241:25  Single Ambig)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 176, 233, 234, 235, 445, 446, 447,
 &end
#
#   14 VAL  HN           14 VAL  HA          4.50    (#    242:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 242, nxpk= 25, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           14 VAL  HA          2.80    (#    243:25  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 243, nxpk= 25, iat= 210, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           14 VAL  HA          5.50    (#    244:25  Preassigned    3.93, 4.00 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 227, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           14 VAL  HA          5.50    (#    245:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 245, nxpk= 25, iat= 198, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           14 VAL  HA          3.50    (#    246:25  Preassigned    2.62, 3.43 A)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-3:247     14 VAL  HA          5.50    (#    247:25  Single Ambig)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 177,
 &end
#
#   14 VAL  QG1          14 VAL  HA          3.50    (#    248:25  Preassigned    2.52, 3.18 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  QG2          14 VAL  HA          3.50    (#    249:25  Preassigned    2.44, 3.12 A)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 204, 205, 206,
 &end
#
#   65 LEU  QD-          14 VAL  HA          5.50    (#    250:25  Preassigned    4.34, 6.26 A)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:252     14 VAL  HA          5.50    (#    252:25  Single Ambig)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#    0 AMB  25-3:254      3 VAL  HA          5.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  38,  39,
 &end
#
#   67 GLU  HN           51 VAL  HA          5.50    (#    255:25  Preassigned    3.16, 3.56 A)
 &rst
  ixpk= 255, nxpk= 25, iat=1053, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           51 VAL  HA          5.50    (#    256:25  Preassigned    3.71, 3.79 A)
 &rst
  ixpk= 256, nxpk= 25, iat= 837, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           51 VAL  HA          5.50    (#    258:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 799, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           51 VAL  HA          2.80    (#    259:25  Preassigned    2.14, 2.18 A)
 &rst
  ixpk= 259, nxpk= 25, iat= 815, 801, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           51 VAL  HA          4.50    (#    260:25  Preassigned    2.36, 2.47 A)
 &rst
  ixpk= 260, nxpk= 25, iat=1036, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HB           51 VAL  HA          4.50    (#    261:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 261, nxpk= 25, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB-          51 VAL  HA          5.50    (#    262:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#    0 AMB  25-3:263     51 VAL  HA          5.50    (#    263:25  Single Ambig)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041, 825, 826,
 &end
#
#   51 VAL  QG1          51 VAL  HA          3.50    (#    264:25  Preassigned    2.42, 2.99 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-3:266     51 VAL  HA          2.80    (#    266:25  Single Ambig)
 &rst
  ixpk= 266, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   48 VAL  QG1          51 VAL  HA          5.50    (#    267:25  Preassigned    3.89, 4.40 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  25-3:268     51 VAL  HA          4.50    (#    268:25  Single Ambig)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1038,1039, 819,1058,
 &end
#
#   52 LYS  HG+          51 VAL  HA          5.50    (#    269:25  Preassigned    3.43, 4.46 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   53 LYS  HN           51 VAL  HA          5.50    (#    270:25  Preassigned    3.71, 3.79 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 837, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           30 ILE  HA          5.50    (#    272:25  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 272, nxpk= 25, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HB            3 VAL  HA          5.50    (#    273:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  22,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HN            3 VAL  HA          2.80    (#    274:25  Preassigned    2.27, 2.31 A)
 &rst
  ixpk= 274, nxpk= 25, iat=  34,  20, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 LEU  HN            3 VAL  HA          5.50    (#    275:25  Preassigned    5.21, 5.30 A)
 &rst
  ixpk= 275, nxpk= 25, iat=1015,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HG1-         30 ILE  HA          5.50    (#    277:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#    3 VAL  QG1           3 VAL  HA          3.50    (#    278:25  Preassigned    2.38, 3.02 A)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#   40 ILE  QG2          30 ILE  HA          5.50    (#    279:25  Unique         5.78, 6.13 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 634, 635, 636,
 &end
#
#    0 AMB  25-3:281      3 VAL  HA          5.50    (#    281:25  Single Ambig)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   73 GLN  HN           72 THR  HA          5.50    (#    282:25  Preassigned    2.22, 2.82 A)
 &rst
  ixpk= 282, nxpk= 25, iat=1137,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  HB           72 THR  HA          4.50    (#    283:25  Preassigned    2.47, 2.60 A)
 &rst
  ixpk= 283, nxpk= 25, iat=1127,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HA           72 THR  HA          5.50    (#    284:25  Preassigned    4.41, 4.62 A)
 &rst
  ixpk= 284, nxpk= 25, iat=1139,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  QG2          72 THR  HA          5.50    (#    287:25  Preassigned    2.37, 2.99 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1129,1130,1131,
 &end
#
#    0 AMB  25-3:288     30 ILE  HA          5.50    (#    288:25  Single Ambig)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 630, 131,
 &end
#
#   30 ILE  HG1+         30 ILE  HA          5.50    (#    289:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#    0 AMB  25-3:290     30 ILE  HA          3.50    (#    290:25  Single Ambig)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 438, 439, 440, 442, 443,
 &end
#
#   31 LEU  HN           30 ILE  HA          2.80    (#    291:25  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 451, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HN           30 ILE  HA          4.50    (#    292:25  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 292, nxpk= 25, iat= 628, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HA           30 ILE  HA          3.50    (#    293:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 293, nxpk= 25, iat= 624, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:294     30 ILE  HA          5.50    (#    294:25  Single Ambig)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 424, 615, 616,
 &end
#
#   30 ILE  HB           30 ILE  HA          5.50    (#    295:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HG1+         30 ILE  HA          5.50    (#    296:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   38 ILE  HN           30 ILE  HA          5.50    (#    297:25  Preassigned    4.53, 4.69 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 595, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          30 ILE  HA          5.50    (#    298:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#    6 GLN  HN            5 ILE  HA          3.50    (#    299:25  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  64,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HN            5 ILE  HA          4.50    (#    300:25  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 300, nxpk= 25, iat=  45,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            5 ILE  HA          5.50    (#    301:25  Preassigned    4.02, 4.11 A)
 &rst
  ixpk= 301, nxpk= 25, iat=  81,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:302      5 ILE  HA          5.50    (#    302:25  Single Ambig)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  71,  72,  68,
 &end
#
#    6 GLN  HB3           5 ILE  HA          5.50    (#    303:25  Preassigned    3.97, 4.03 A)
 &rst
  ixpk= 303, nxpk= 25, iat=  69,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HB            5 ILE  HA          4.50    (#    304:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 304, nxpk= 25, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HG1+          5 ILE  HA          4.50    (#    305:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HA          3.50    (#    306:25  Preassigned    2.50, 3.24 A)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#   65 LEU  QD+           5 ILE  HA          5.50    (#    307:25  Preassigned    3.50, 5.96 A)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    5 ILE  QD1           5 ILE  HA          3.50    (#    308:25  Preassigned    2.12, 3.13 A)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  58,  59,  60,
 &end
#
#    6 GLN  HA            5 ILE  HA          5.50    (#    309:25  Preassigned    4.43, 4.47 A)
 &rst
  ixpk= 309, nxpk= 25, iat=  66,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-          5 ILE  HA          4.50    (#    311:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    0 AMB  25-3:312      5 ILE  HA          5.50    (#    312:25  Single Ambig)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639,1019,
 &end
#
#    5 SER  HA            4 ILE  HA          5.50    (#    313:25  Preassigned    4.35, 4.38 A)
 &rst
  ixpk= 313, nxpk= 25, iat=  36,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:314      5 ILE  HA          5.50    (#    314:25  Single Ambig)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  39,  38, 982, 983,
 &end
#
#    0 AMB  25-3:316     40 ILE  HA          5.50    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 624, 393,
 &end
#
#   40 ILE  HB           40 ILE  HA          4.50    (#    317:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 317, nxpk= 25, iat= 632, 630, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:318     40 ILE  HA          2.80    (#    318:25  Single Ambig)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 647, 628,
 &end
#
#    6 GLN  HE22         40 ILE  HA          5.50    (#    319:25  Preassigned    3.32, 4.08 A)
 &rst
  ixpk= 319, nxpk= 25, iat=  77, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA           40 ILE  HA          7.00    (#    320:25  Preassigned    5.77, 6.29 A)
 &rst
  ixpk= 320, nxpk= 25, iat=  47, 630, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 ILE  HG1-         40 ILE  HA          4.50    (#    321:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   41 VAL  QG2          40 ILE  HA          4.50    (#    322:25  Preassigned    3.76, 4.83 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 657, 658, 659,
 &end
#
#    0 AMB  25-3:323     40 ILE  HA          2.80    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    0 AMB  25-3:324     40 ILE  HA          5.50    (#    324:25  Single Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 621, 622, 651,
 &end
#
#   40 ILE  HG1+         40 ILE  HA          4.50    (#    325:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HA          5.50    (#    326:25  Preassigned    5.04, 5.11 A)
 &rst
  ixpk= 326, nxpk= 25, iat= 434, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           59 VAL  HA          5.50    (#    329:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    0 AMB  25-3:330     47 ILE  HA          5.50    (#    330:25  Single Ambig)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 746, 311,
 &end
#
#    0 AMB  25-3:331     16 VAL  HA          4.50    (#    331:25  Single Ambig)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 237, 238, 239, 809, 810, 811,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   59 VAL  HN           59 VAL  HA          4.50    (#    332:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 935, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HN           59 VAL  HA          2.80    (#    333:25  Preassigned    2.39, 2.41 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 951, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 VAL  QG1          59 VAL  HA          3.50    (#    334:25  Preassigned    2.36, 2.99 A)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 941, 942, 943,
 &end
#
#   59 PHE  HD           58 VAL  HA          5.50    (#    335:25  Preassigned    3.79, 5.04 A)
 &rst
  ixpk= 335, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   60 ASN  HA           59 VAL  HA          5.50    (#    336:25  Preassigned    4.47, 4.49 A)
 &rst
  ixpk= 336, nxpk= 25, iat= 953, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          59 VAL  HA          5.50    (#    337:25  Preassigned    3.24, 3.32 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 992, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB+          59 VAL  HA          5.50    (#    338:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB-          59 VAL  HA          5.50    (#    339:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   59 VAL  HB           59 VAL  HA          3.50    (#    340:25  Preassigned    2.53, 2.57 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG2          59 VAL  HA          4.50    (#    341:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 946, 947,
 &end
#
#   57 ASP  HN           55 GLU  HA          5.50    (#    342:25  Preassigned    3.12, 3.72 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 903, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           55 GLU  HA          5.50    (#    343:25  Preassigned    2.92, 3.10 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 174, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HA-          55 GLU  HA          4.50    (#    344:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 898, 899,
 &end
#
#   55 GLU  HG+          55 GLU  HA          4.50    (#    345:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  HG-          55 GLU  HA          4.50    (#    346:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 346, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HA          3.50    (#    347:25  Preassigned    2.32, 2.72 A)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 885, 886,
 &end
#
#   11 LEU  HB3          55 GLU  HA          4.50    (#    348:25  Preassigned    2.35, 3.63 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 134, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          55 GLU  HA          5.50    (#    349:25  Preassigned    3.21, 5.28 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 133, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          55 GLU  HA          5.50    (#    350:25  Unique         3.14, 5.82 A)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          55 GLU  HA          5.50    (#    351:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 351, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   56 GLY  HN           55 GLU  HA          2.80    (#    352:25  Preassigned    2.12, 2.13 A)
 &rst
  ixpk= 352, nxpk= 25, iat= 896, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    353:25  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 881, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HG           55 GLU  HA          5.50    (#    354:25  Preassigned    3.11, 3.96 A)
 &rst
  ixpk= 354, nxpk= 25, iat= 136, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG2          55 GLU  HA          4.50    (#    355:25  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   17 LYS  HN           16 VAL  HA          2.80    (#    356:25  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 356, nxpk= 25, iat= 243, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           16 VAL  HA          4.50    (#    357:25  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 357, nxpk= 25, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           58 PHE  HA          5.50    (#    358:25  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 358, nxpk= 25, iat= 108, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB3          58 PHE  HA          5.50    (#    359:25  Unique         3.86, 4.08 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 120, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           58 PHE  HA          5.50    (#    360:25  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 360, nxpk= 25, iat= 129, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:361     58 PHE  HA          2.80    (#    361:25  Single Ambig)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 915,
 &end
#
#   58 PHE  HD           58 PHE  HA          4.50    (#    362:25  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#    10 ASN  HA           58 PHE  HA          3.50    (#    363:25  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 117, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HB3          58 PHE  HA          4.50    (#    364:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 920, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:365     58 PHE  HA          5.50    (#    365:25  Single Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 908, 119,
 &end
#
#   59 VAL  QG2          58 PHE  HA          5.50    (#    366:25  Preassigned    3.15, 4.30 A)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   58 PHE  HB2          58 PHE  HA          4.50    (#    367:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 367, nxpk= 25, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG1          58 PHE  HA          5.50    (#    368:25  Preassigned    4.13, 5.14 A)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   12 TRP  HB3          12 TRP  HA          4.50    (#    369:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 369, nxpk= 25, iat= 153, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HA          5.50    (#    371:25  Preassigned    5.18, 5.22 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 167, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HA          5.50    (#    372:25  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 156, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          12 TRP  HA          4.50    (#    373:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 152, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 GLY  HN           12 TRP  HA          5.50    (#    374:25  Preassigned    3.27, 3.47 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 896, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HA          5.50    (#    375:25  Preassigned    3.66, 3.67 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 172, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#    377:25  Preassigned    2.53, 2.58 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  QG1          16 VAL  HA          3.50    (#    378:25  Preassigned    2.31, 2.95 A)
 &rst
  ixpk= 378, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   72 THR  HB           71 SER  HA          7.00    (#    380:25  Preassigned    5.63, 6.15 A)
 &rst
  ixpk= 380, nxpk= 25, iat=1127,1114, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 THR  HA           71 SER  HA          5.50    (#    381:25  Preassigned    4.35, 4.59 A)
 &rst
  ixpk= 381, nxpk= 25, iat=1125,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          71 SER  HA          7.00    (#    382:25  Preassigned    2.35, 5.66 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 722, 723,
 &end
#
#    0 AMB  25-3:384     71 SER  HA          5.50    (#    384:25  Single Ambig)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1116,1117,1116,1117,
 &end
#
#   72 THR  HN           71 SER  HA          5.50    (#    385:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1123,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H63          35 BTL  HA          5.50    (#    386:25  Preassigned    3.92, 4.21 A)
 &rst
  ixpk= 386, nxpk= 25, iat= 549, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HA           34 BTL  HA          5.50    (#    387:25  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           55 GLU  HA          5.50    (#    388:25  Preassigned    3.95, 4.10 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 198, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HA           24 LYS  HA          5.50    (#    390:25  Preassigned    3.00, 3.47 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 687, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           24 LYS  HA          2.80    (#    391:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 367, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:392     24 LYS  HA          3.50    (#    392:25  Single Ambig)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 345, 374, 709,
 &end
#
#   44 ARG  HN           24 LYS  HA          5.50    (#    393:25  Preassigned    3.14, 3.61 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 685, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:394     24 LYS  HA          4.50    (#    394:25  Single Ambig)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 675,
 &end
#
#   25 GLY  HA+          24 LYS  HA          5.50    (#    395:25  Preassigned    4.38, 4.44 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   24 LYS  HB3          24 LYS  HA          4.50    (#    396:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 396, nxpk= 25, iat= 350, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  QB           24 LYS  HA          4.50    (#    397:25  Preassigned    2.56, 3.50 A)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   24 LYS  HB2          24 LYS  HA          3.50    (#    398:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 398, nxpk= 25, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LYS  QG           24 LYS  HA          3.50    (#    399:25  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#    0 AMB  25-3:401     22 ILE  HA          5.50    (#    401:25  Single Ambig)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 301, 302, 378,
 &end
#
#    0 AMB  25-3:402     22 ILE  HA          5.50    (#    402:25  Single Ambig)
 &rst
  ixpk= 402, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 379, 334, 298, 299,
 &end
#
#   22 ILE  HN           22 ILE  HA          4.50    (#    403:25  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 ILE  HA          2.80    (#    404:25  Preassigned    2.31, 2.38 A)
 &rst
  ixpk= 404, nxpk= 25, iat= 330, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HE22         22 ILE  HA          5.50    (#    405:25  Preassigned    2.35, 4.61 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 387, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HB           22 ILE  HA          3.50    (#    406:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 315, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 ILE  HG1-         22 ILE  HA          5.50    (#    407:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  QG2          22 ILE  HA          3.50    (#    408:25  Preassigned    2.39, 3.10 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QD1          22 ILE  HA          4.50    (#    409:25  Preassigned    4.73, 5.13 A)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 324, 325, 326,
 &end
#
#   22 ILE  HG1+         22 ILE  HA          5.50    (#    410:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   48 VAL  QG2          22 ILE  HA          5.50    (#    411:25  Preassigned    5.25, 6.02 A)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    9 GLY  HN           58 PHE  HA          5.50    (#    412:25  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 412, nxpk= 25, iat= 108, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           69 SER  HA          4.50    (#    414:25  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 414, nxpk= 25, iat=1087,1089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           69 SER  HA          3.50    (#    416:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 416, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1091,1092,
 &end
#
#    0 AMB  25-3:417     69 SER  HA          4.50    (#    417:25  Single Ambig)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 772, 773, 766,
 &end
#
#   49 LYS  HD+          69 SER  HA          5.50    (#    418:25  Preassigned    2.43, 4.56 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 772, 773,
 &end
#
#    0 AMB  25-3:419     69 SER  HA          5.50    (#    419:25  Single Ambig)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 769, 770,1072,
 &end
#
#   36 MET  HN           35 BTL  HA          5.50    (#    421:25  Preassigned    2.99, 3.17 A)
 &rst
  ixpk= 421, nxpk= 25, iat= 563, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HB2          35 BTL  HA          4.50    (#    422:25  Preassigned    2.58, 2.97 A)
 &rst
  ixpk= 422, nxpk= 25, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HB3          35 BTL  HA          3.50    (#    423:25  Preassigned    2.37, 2.49 A)
 &rst
  ixpk= 423, nxpk= 25, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 BTL  HD+          35 BTL  HA          4.50    (#    424:25  Unique         2.29, 4.27 A)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HA          5.50    (#    425:25  Preassigned    3.11, 3.53 A)
 &rst
  ixpk= 425, nxpk= 25, iat= 539, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN           35 BTL  HA          3.50    (#    426:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 426, nxpk= 25, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:427     35 BTL  HA          4.50    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 548, 477, 478,
 &end
#
#   32 GLU  HG-          35 BTL  HA          4.50    (#    428:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   35 BTL  HG-          35 BTL  HA          4.50    (#    429:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   62 GLY  HN           61 GLU  HA          2.80    (#    430:25  Preassigned    2.17, 2.19 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HN           61 GLU  HA          4.50    (#    431:25  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 431, nxpk= 25, iat= 965, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HA           60 GLU  HA          5.50    (#    432:25  Preassigned    4.25, 4.30 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 953, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA           61 GLU  HA          5.50    (#    433:25  Preassigned    3.55, 3.77 A)
 &rst
  ixpk= 433, nxpk= 25, iat=  83, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HA          4.50    (#    434:25  Preassigned    2.61, 2.75 A)
 &rst
  ixpk= 434, nxpk= 25, iat=  66, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:435     61 GLU  HA          4.50    (#    435:25  Single Ambig)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 982, 983,  39,
 &end
#
#    0 AMB  25-3:436     61 GLU  HA          5.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  85,  86,
 &end
#
#   61 GLU  HB2          61 GLU  HA          2.80    (#    437:25  Preassigned    2.44, 2.49 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  QG2          61 GLU  HA          5.50    (#    438:25  Preassigned    2.95, 4.31 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  25-3:439     61 GLU  HA          5.50    (#    439:25  Single Ambig)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987,  98,
 &end
#
#    7 MET  HN           61 GLU  HA          5.50    (#    440:25  Preassigned    2.90, 3.04 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  81, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:441     61 GLU  HA          4.50    (#    441:25  Single Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 972, 973, 972, 973,
 &end
#
#   39 PRO  HD+          38 ILE  HA          2.80    (#    442:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 615, 616,
 &end
#
#   39 PRO  HD-          38 ILE  HA          3.50    (#    443:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   39 PRO  HG-          38 ILE  HA          5.50    (#    444:25  Preassigned    4.26, 4.48 A)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   38 ILE  HB           38 ILE  HA          5.50    (#    445:25  Preassigned    3.00, 3.02 A)
 &rst
  ixpk= 445, nxpk= 25, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1+         38 ILE  HA          5.50    (#    446:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:447     38 ILE  HA          5.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 438, 439, 440, 442, 443,
 &end
#
#   38 ILE  QG2          38 ILE  HA          4.50    (#    448:25  Preassigned    2.47, 2.98 A)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  QD1          38 ILE  HA          4.50    (#    449:25  Preassigned    3.93, 4.84 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HN           38 ILE  HA          5.50    (#    450:25  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         38 ILE  HA          5.50    (#    451:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:452     38 ILE  HA          5.50    (#    452:25  Single Ambig)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 587, 588, 618, 619,
 &end
#
#    0 AMB  25-3:453      4 SER  HA          5.50    (#    453:25  Single Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  20, 989,
 &end
#
#    4 SER  HN            4 SER  HA          4.50    (#    454:25  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 454, nxpk= 25, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            4 SER  HA          4.50    (#    455:25  Preassigned    2.47, 2.63 A)
 &rst
  ixpk= 455, nxpk= 25, iat=1015,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:456      4 SER  HA          5.50    (#    456:25  Single Ambig)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1017, 982, 983,
 &end
#
#   64 VAL  HA            4 SER  HA          3.50    (#    457:25  Preassigned    2.42, 2.51 A)
 &rst
  ixpk= 457, nxpk= 25, iat=1001,  36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:458      4 SER  HA          3.50    (#    458:25  Single Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#   65 LEU  HB2           4 SER  HA          5.50    (#    459:25  Preassigned    2.57, 3.10 A)
 &rst
  ixpk= 459, nxpk= 25, iat=1019,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN            4 SER  HA          3.50    (#    460:25  Preassigned    2.21, 2.26 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  45,  36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HA            4 SER  HA          5.50    (#    461:25  Preassigned    4.35, 4.38 A)
 &rst
  ixpk= 461, nxpk= 25, iat=  47,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:462      4 SER  HA          5.50    (#    462:25  Single Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,1003,
 &end
#
#    0 AMB  25-3:463      4 SER  HA          5.50    (#    463:25  Single Ambig)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  25-3:464      4 SER  HA          5.50    (#    464:25  Single Ambig)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  25-3:465      4 SER  HA          5.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,  28,  29,  30,
 &end
#
#   52 LYS  HN            4 SER  HA          7.00    (#    466:25  Preassigned    7.26, 7.37 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 815,  36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 LEU  HN            4 SER  HA          5.50    (#    467:25  Preassigned    3.82, 3.94 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1034,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:468     27 GLU  HA          5.50    (#    468:25  Single Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 628, 647,
 &end
#
#   28 VAL  HN           27 GLU  HA          3.50    (#    469:25  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 406, 393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HN           27 GLU  HA          5.50    (#    470:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 470, nxpk= 25, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           27 GLU  HA          7.00    (#    471:25  Preassigned    3.64, 3.68 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 422, 393, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HA           27 GLU  HA          3.50    (#    472:25  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 472, nxpk= 25, iat= 649, 393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HG+          27 GLU  HA          4.50    (#    473:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HA          4.50    (#    474:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 395, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG-          27 GLU  HA          4.50    (#    475:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#    0 AMB  25-3:476     27 GLU  HA          5.50    (#    476:25  Single Ambig)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 651, 621, 622,
 &end
#
#   28 VAL  QG2          27 GLU  HA          5.50    (#    477:25  Preassigned    3.80, 4.79 A)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   41 VAL  QG1          27 GLU  HA          4.50    (#    478:25  Preassigned    2.16, 3.19 A)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 653, 654, 655,
 &end
#
#   28 VAL  QG1          27 GLU  HA          5.50    (#    479:25  Preassigned    4.02, 5.03 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 412, 413, 414,
 &end
#
#    0 AMB  25-3:480     49 LYS  HA          5.50    (#    480:25  Single Ambig)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 748,
 &end
#
#   49 LYS  HB3          49 LYS  HA          4.50    (#    481:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 767, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:482     49 LYS  HA          5.50    (#    482:25  Single Ambig)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   49 LYS  HN           49 LYS  HA          4.50    (#    483:25  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 483, nxpk= 25, iat= 762, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HA          5.50    (#    484:25  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 784, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB2          49 LYS  HA          3.50    (#    485:25  Preassigned    2.45, 2.50 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HG+          49 LYS  HA          4.50    (#    486:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   49 LYS  HG-          49 LYS  HA          4.50    (#    487:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   19 GLY  HN           49 LYS  HA          5.50    (#    488:25  Preassigned    3.48, 3.67 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 275, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:490     49 LYS  HA          5.50    (#    490:25  Single Ambig)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058, 789,
 &end
#
#   73 GLN  HN           73 GLN  HA          5.50    (#    491:25  Preassigned    2.23, 2.84 A)
 &rst
  ixpk= 491, nxpk= 25, iat=1137,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HB+          73 GLN  HA          5.50    (#    495:25  Preassigned    2.37, 2.70 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1142,
 &end
#
#   39 PRO  HB+          27 GLU  HA          5.50    (#    496:25  Preassigned    4.34, 5.07 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#   52 LYS  HN           52 LYS  HA          4.50    (#    497:25  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 497, nxpk= 25, iat= 815, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HA          5.50    (#    498:25  Preassigned    3.26, 3.34 A)
 &rst
  ixpk= 498, nxpk= 25, iat= 837, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB3          52 LYS  HA          3.50    (#    499:25  Preassigned    2.42, 2.47 A)
 &rst
  ixpk= 499, nxpk= 25, iat= 820, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HG-          52 LYS  HA          5.50    (#    500:25  Preassigned    3.22, 4.62 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 792,
 &end
#
#   52 LYS  HB2          52 LYS  HA          4.50    (#    501:25  Preassigned    3.04, 3.06 A)
 &rst
  ixpk= 501, nxpk= 25, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  QD           52 LYS  HA          3.50    (#    502:25  Preassigned    2.10, 2.75 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 825, 826,
 &end
#
#   52 LYS  HG-          52 LYS  HA          4.50    (#    503:25  Preassigned    3.12, 3.51 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#   52 LYS  HE-          52 LYS  HA          5.50    (#    504:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#    6 GLN  HN            6 GLN  HA          4.50    (#    505:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 505, nxpk= 25, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:506      6 GLN  HA          5.50    (#    506:25  Single Ambig)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,  39,  38,
 &end
#
#   61 GLU  HA            6 GLN  HA          5.50    (#    507:25  Preassigned    2.61, 2.75 A)
 &rst
  ixpk= 507, nxpk= 25, iat= 967,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HA          5.50    (#    508:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   62 GLY  HN            6 GLN  HA          4.50    (#    509:25  Preassigned    2.82, 2.91 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 980,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            6 GLN  HA          4.50    (#    510:25  Preassigned    3.25, 3.33 A)
 &rst
  ixpk= 510, nxpk= 25, iat=  81,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HA            5 GLN  HA          5.50    (#    511:25  Preassigned    4.43, 4.47 A)
 &rst
  ixpk= 511, nxpk= 25, iat=  47,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HB2           6 GLN  HA          3.50    (#    512:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  68,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HB3           6 GLN  HA          3.50    (#    513:25  Preassigned    2.46, 2.49 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  69,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 BTL  HN           34 MET  HA          4.50    (#    514:25  Preassigned    2.57, 2.61 A)
 &rst
  ixpk= 514, nxpk= 25, iat= 513, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 MET  HG-          34 MET  HA          4.50    (#    515:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   37 GLU  HG+          37 GLU  HA          4.50    (#    516:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   38 ILE  HG1-         37 GLU  HA          5.50    (#    517:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  HN           37 GLU  HA          2.80    (#    518:25  Preassigned    2.17, 2.23 A)
 &rst
  ixpk= 518, nxpk= 25, iat= 595, 582, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLU  HA           37 GLU  HA          4.50    (#    519:25  Preassigned    2.86, 3.06 A)
 &rst
  ixpk= 519, nxpk= 25, iat= 472, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  QB           37 GLU  HA          3.50    (#    520:25  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  HA          4.50    (#    521:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   38 ILE  HG1+         37 GLU  HA          5.50    (#    522:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          37 GLU  HA          4.50    (#    523:25  Preassigned    3.94, 4.58 A)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   31 LEU  HB3          37 GLU  HA          5.50    (#    524:25  Preassigned    4.77, 5.10 A)
 &rst
  ixpk= 524, nxpk= 25, iat= 456, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          37 GLU  HA          5.50    (#    525:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   65 LEU  HN           65 LEU  HA          5.50    (#    526:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 526, nxpk= 25, iat=1015,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB2          65 LEU  HA          5.50    (#    527:25  Preassigned    2.77, 2.98 A)
 &rst
  ixpk= 527, nxpk= 25, iat= 819,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  QD+          65 LEU  HA          3.50    (#    528:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  HA          5.50    (#    529:25  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 529, nxpk= 25, iat=1034,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           65 LEU  HA          5.50    (#    530:25  Preassigned    3.39, 4.13 A)
 &rst
  ixpk= 530, nxpk= 25, iat= 837,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3          65 LEU  HA          4.50    (#    532:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 532, nxpk= 25, iat=1020,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HG+          65 LEU  HA          4.50    (#    533:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 844, 845,
 &end
#
#    0 AMB  25-3:534     65 LEU  HA          4.50    (#    534:25  Single Ambig)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1022,  55,  56,
 &end
#
#   65 LEU  HB2          65 LEU  HA          4.50    (#    535:25  Preassigned    2.41, 2.47 A)
 &rst
  ixpk= 535, nxpk= 25, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HG-          65 LEU  HA          5.50    (#    536:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   65 LEU  QD-          65 LEU  HA          4.50    (#    537:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   52 LYS  HN           65 LEU  HA          5.50    (#    538:25  Preassigned    3.58, 3.79 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 815,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           26 GLN  HA          5.50    (#    539:25  Preassigned    4.44, 4.51 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 393, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          26 GLN  HA          4.50    (#    540:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 540, nxpk= 25, iat= 379, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HG+          34 MET  HA          5.50    (#    541:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 520, 521,
 &end
#
#   34 MET  HN           34 MET  HA          3.50    (#    542:25  Preassigned    2.23, 2.24 A)
 &rst
  ixpk= 542, nxpk= 25, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 SER  HA           33 MET  HA          5.50    (#    543:25  Preassigned    4.40, 4.43 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 487, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           34 MET  HA          5.50    (#    545:25  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 515, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  QB           34 MET  HA          3.50    (#    546:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 500, 501,
 &end
#
#    0 AMB  25-3:547     34 MET  HA          5.50    (#    547:25  Single Ambig)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 520, 521, 540,
 &end
#
#   34 MET  HG+          34 MET  HA          5.50    (#    548:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#    0 AMB  25-3:550     37 GLU  HA          5.50    (#    550:25  Single Ambig)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 615, 616, 515,
 &end
#
#   51 VAL  HN           50 GLU  HA          2.80    (#    552:25  Preassigned    2.26, 2.35 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 799, 786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#    553:25  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 784, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HG+          50 GLU  HA          4.50    (#    554:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   61 GLU  HG-           6 GLN  HA          5.50    (#    555:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    0 AMB  25-3:556     50 GLU  HA          3.50    (#    556:25  Single Ambig)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 791, 792, 788,
 &end
#
#   50 GLU  HB3          50 GLU  HA          4.50    (#    557:25  Preassigned    2.97, 3.04 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 789, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  QB           50 GLU  HA          4.50    (#    558:25  Preassigned    2.52, 3.71 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG1          50 GLU  HA          5.50    (#    559:25  Preassigned    3.21, 4.18 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   18 ALA  HA           50 GLU  HA          5.50    (#    560:25  Preassigned    3.21, 3.58 A)
 &rst
  ixpk= 560, nxpk= 25, iat= 267, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           11 LEU  HA          5.50    (#    561:25  Preassigned    3.54, 3.61 A)
 &rst
  ixpk= 561, nxpk= 25, iat= 470, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HA          5.50    (#    562:25  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 562, nxpk= 25, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:563     11 LEU  HA          5.50    (#    563:25  Single Ambig)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643,  58,  59,  60,
 &end
#
#   56 GLY  HN           11 LEU  HA          5.50    (#    564:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 896, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HA          4.50    (#    565:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HA          3.50    (#    566:25  Preassigned    2.18, 2.40 A)
 &rst
  ixpk= 566, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           11 LEU  HA          5.50    (#    567:25  Preassigned    3.78, 4.06 A)
 &rst
  ixpk= 567, nxpk= 25, iat= 172, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          11 LEU  HA          5.50    (#    569:25  Preassigned    4.61, 4.68 A)
 &rst
  ixpk= 569, nxpk= 25, iat= 152, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          11 LEU  HA          5.50    (#    570:25  Preassigned    4.19, 4.29 A)
 &rst
  ixpk= 570, nxpk= 25, iat= 153, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB3          11 LEU  HA          4.50    (#    571:25  Preassigned    2.67, 3.01 A)
 &rst
  ixpk= 571, nxpk= 25, iat= 134, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          11 LEU  HA          4.50    (#    572:25  Preassigned    2.55, 2.60 A)
 &rst
  ixpk= 572, nxpk= 25, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HG           11 LEU  HA          4.50    (#    573:25  Preassigned    2.87, 2.96 A)
 &rst
  ixpk= 573, nxpk= 25, iat= 136, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  QD+          11 LEU  HA          3.50    (#    574:25  Preassigned    2.14, 3.74 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:575     11 LEU  HA          3.50    (#    575:25  Single Ambig)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   27 GLU  HN           26 GLN  HA          2.80    (#    577:25  Preassigned    2.25, 2.28 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 391, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HN           26 GLN  HA          4.50    (#    578:25  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 578, nxpk= 25, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HG+          26 GLN  HA          4.50    (#    579:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB2          26 GLN  HA          3.50    (#    580:25  Preassigned    2.51, 2.57 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HN           67 GLU  HA          4.50    (#    581:25  Preassigned    2.18, 2.26 A)
 &rst
  ixpk= 581, nxpk= 25, iat=1068,1055, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HN           57 ASP  HA          3.50    (#    582:25  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 582, nxpk= 25, iat= 915, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HN           57 ASP  HA          4.50    (#    583:25  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 903, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB2          57 ASP  HA          5.50    (#    584:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 919, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HB3          57 ASP  HA          5.50    (#    585:25  Preassigned    4.60, 4.71 A)
 &rst
  ixpk= 585, nxpk= 25, iat= 920, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB3          57 ASP  HA          4.50    (#    586:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 586, nxpk= 25, iat= 908, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB2          57 ASP  HA          3.50    (#    587:25  Preassigned    2.51, 2.55 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLU  HB3          67 GLU  HA          5.50    (#    589:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 589, nxpk= 25, iat=1058,1055, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HN           21 GLN  HA          4.50    (#    590:25  Preassigned    2.18, 2.23 A)
 &rst
  ixpk= 590, nxpk= 25, iat= 311, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HN           20 ASP  HA          2.80    (#    591:25  Preassigned    2.20, 2.35 A)
 &rst
  ixpk= 591, nxpk= 25, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HN           20 ASP  HA          4.50    (#    592:25  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 592, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          20 ASP  HA          4.50    (#    593:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 593, nxpk= 25, iat= 287, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB2          20 ASP  HA          3.50    (#    594:25  Preassigned    2.46, 2.50 A)
 &rst
  ixpk= 594, nxpk= 25, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           63 ASP  HA          2.80    (#    597:25  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 999, 989, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HA           63 ASP  HA          5.50    (#    598:25  Preassigned    4.31, 4.33 A)
 &rst
  ixpk= 598, nxpk= 25, iat=1001, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          63 ASP  HA          4.50    (#    599:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 599, nxpk= 25, iat= 992, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB2          63 ASP  HA          4.50    (#    600:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 600, nxpk= 25, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  QG2          63 ASP  HA          5.50    (#    601:25  Preassigned    3.97, 4.95 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1009,1010,1011,
 &end
#
#    0 AMB  25-3:602     63 ASP  HA          5.50    (#    602:25  Single Ambig)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007, 941, 942, 943,
 &end
#
#   53 LYS  QE           63 ASP  HA          5.50    (#    603:25  Preassigned    5.11, 5.43 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   32 GLU  HN           32 GLU  HA          4.50    (#    604:25  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          32 GLU  HA          4.50    (#    605:25  Unique         3.06, 3.06 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           32 GLU  HA          2.80    (#    607:25  Preassigned    2.18, 2.21 A)
 &rst
  ixpk= 607, nxpk= 25, iat= 485, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 GLU  HA           32 GLU  HA          4.50    (#    608:25  Preassigned    2.86, 3.06 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 582, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HG+          32 GLU  HA          4.50    (#    609:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG-          32 GLU  HA          4.50    (#    610:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HA          3.50    (#    611:25  Preassigned    2.41, 2.42 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  QG2          32 GLU  HA          5.50    (#    612:25  Preassigned    4.60, 5.48 A)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  HN           32 GLU  HA          5.50    (#    613:25  Preassigned    3.94, 4.08 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 595, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           32 GLU  HA          5.50    (#    614:25  Preassigned    4.14, 4.31 A)
 &rst
  ixpk= 614, nxpk= 25, iat= 563, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:615     20 ASP  HA          5.50    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 750, 301, 302, 231,
 &end
#
#    0 AMB  25-3:616     20 ASP  HA          5.50    (#    616:25  Single Ambig)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735, 317, 318, 319,
 &end
#
#   61 GLU  HG+           7 MET  HA          5.50    (#    617:25  Preassigned    3.66, 4.61 A)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    8 ALA  HN            7 MET  HA          2.80    (#    618:25  Preassigned    2.27, 2.34 A)
 &rst
  ixpk= 618, nxpk= 25, iat=  98,  83, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 MET  HN            7 MET  HA          4.50    (#    619:25  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 619, nxpk= 25, iat=  81,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA            7 MET  HA          5.50    (#    620:25  Preassigned    3.55, 3.77 A)
 &rst
  ixpk= 620, nxpk= 25, iat= 967,  83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG            7 MET  HA          5.50    (#    621:25  Preassigned    2.41, 3.35 A)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    0 AMB  25-3:622      7 MET  HA          5.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 972, 973,  92,  93,  94,
 &end
#
#    0 AMB  25-3:623      0 AMB  25-1:623    5.50    (#    623:25  Double Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  51,  52,  53,  28,  29,  30,
 igr2=  83, 687,
 &end
#
#    9 GLY  HN            7 MET  HA          7.00    (#    624:25  Preassigned    6.00, 6.16 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 108,  83, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 MET  HB-           7 MET  HA          3.50    (#    626:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    0 AMB  25-3:627     44 ARG  HA          5.50    (#    627:25  Single Ambig)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 367, 673,
 &end
#
#    0 AMB  25-3:628      0 AMB  25-1:628    7.00    (#    628:25  Double Ambig)
 &rst
  ixpk= 628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 714, 110, 111, 722, 723,
 igr2= 687,  83,
 &end
#
#   45 SER  HB2          44 ARG  HA          5.50    (#    629:25  Preassigned    4.76, 4.84 A)
 &rst
  ixpk= 629, nxpk= 25, iat= 713, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  QD           44 ARG  HA          5.50    (#    630:25  Preassigned    2.18, 4.37 A)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   24 LYS  HB3          44 ARG  HA          4.50    (#    631:25  Preassigned    3.91, 4.29 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 350, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HB2          44 ARG  HA          3.50    (#    632:25  Preassigned    2.21, 2.59 A)
 &rst
  ixpk= 632, nxpk= 25, iat= 349, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 SER  HN           44 ARG  HA          2.80    (#    634:25  Preassigned    2.27, 2.35 A)
 &rst
  ixpk= 634, nxpk= 25, iat= 709, 687, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HN           44 ARG  HA          4.50    (#    635:25  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           44 ARG  HA          4.50    (#    636:25  Preassigned    2.46, 3.78 A)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   37 GLU  HN           36 MET  HA          2.80    (#    637:25  Preassigned    2.18, 2.43 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 MET  HN           36 MET  HA          4.50    (#    638:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 638, nxpk= 25, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG-          36 MET  HA          4.50    (#    639:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HB2          36 MET  HA          4.50    (#    640:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB3          36 MET  HA          3.50    (#    641:25  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 568, 565, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HN           17 LYS  HA          7.00    (#    642:25  Preassigned    7.05, 7.08 A)
 &rst
  ixpk= 642, nxpk= 25, iat= 210, 245, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   37 GLU  QB           36 MET  HA          5.50    (#    645:25  Preassigned    4.29, 4.95 A)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   18 LYS  HA           17 ALA  HA          5.50    (#    646:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 245, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           68 LEU  HA          5.50    (#    649:25  Preassigned    3.85, 3.93 A)
 &rst
  ixpk= 649, nxpk= 25, iat= 784,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HA          5.50    (#    650:25  Preassigned    4.51, 5.24 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   49 LYS  HN           68 LEU  HA          4.50    (#    651:25  Preassigned    1.86, 2.02 A)
 &rst
  ixpk= 651, nxpk= 25, iat= 762,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           68 LEU  HA          5.50    (#    652:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 652, nxpk= 25, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HA          2.80    (#    653:25  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 653, nxpk= 25, iat=1087,1070, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA           68 LEU  HA          4.50    (#    654:25  Preassigned    2.36, 2.46 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 748,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HB3          68 LEU  HA          4.50    (#    655:25  Preassigned    2.37, 2.40 A)
 &rst
  ixpk= 655, nxpk= 25, iat=1073,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  QD2          68 LEU  HA          3.50    (#    656:25  Preassigned    2.41, 3.16 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1081,1082,1083,
 &end
#
#   19 GLY  HN           68 LEU  HA          7.00    (#    657:25  Preassigned    6.14, 6.30 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 275,1070, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 LEU  HB2          68 LEU  HA          3.50    (#    659:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 659, nxpk= 25, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:660     68 LEU  HA          5.50    (#    660:25  Single Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 324, 325, 326,
 &end
#
#   18 ALA  HA           17 LYS  HA          5.50    (#    661:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 661, nxpk= 25, iat= 267, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG1          17 LYS  HA          5.50    (#    662:25  Preassigned    3.88, 4.95 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   17 LYS  HN           17 LYS  HA          4.50    (#    663:25  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 243, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           17 LYS  HA          2.80    (#    664:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 664, nxpk= 25, iat= 265, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 VAL  HA           16 LYS  HA          5.50    (#    665:25  Preassigned    4.52, 4.54 A)
 &rst
  ixpk= 665, nxpk= 25, iat= 229, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  HA          2.80    (#    666:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 247, 248,
 &end
#
#    0 AMB  25-3:667      0 AMB  25-1:667    2.80    (#    667:25  Double Ambig)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 809, 810, 811, 204, 205, 206,
 igr2= 245, 861,
 &end
#
#   54 LYS  HN           54 LYS  HA          4.50    (#    668:25  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 668, nxpk= 25, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 BTL  HA           35 MET  HA          5.50    (#    669:25  Preassigned    4.43, 4.55 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 515, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:670      0 AMB  25-1:670    5.50    (#    670:25  Double Ambig)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 888, 889,
 igr2= 245, 861,
 &end
#
#   17 LYS  HG+          17 LYS  HA          4.50    (#    671:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#    0 AMB  25-3:672      0 AMB  25-1:672    4.50    (#    672:25  Double Ambig)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 866, 867, 136, 269, 270, 271,
 igr2= 861, 245,
 &end
#
#    0 AMB  25-3:673      0 AMB  25-1:673    5.50    (#    673:25  Double Ambig)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 200, 201, 202, 805, 806, 807,
 igr2= 861, 245,
 &end
#
#   11 LEU  QD-          54 LYS  HA          5.50    (#    674:25  Preassigned    3.61, 6.13 A)
 &rst
  ixpk= 674, nxpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HN           54 LYS  HA          2.80    (#    675:25  Preassigned    2.39, 2.43 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 881, 861, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HA           13 LYS  HA          5.50    (#    676:25  Preassigned    2.92, 3.10 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 883, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HA          4.50    (#    677:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HG+          13 LYS  HA          5.50    (#    678:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HA          2.80    (#    679:25  Preassigned    2.32, 2.35 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 194, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 VAL  HA           13 LYS  HA          5.50    (#    680:25  Preassigned    4.50, 4.51 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 196, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG+          13 LYS  HA          5.50    (#    681:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   13 LYS  HB3          13 LYS  HA          3.50    (#    682:25  Preassigned    2.48, 2.50 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HB2          13 LYS  HA          4.50    (#    683:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HG-          13 LYS  HA          5.50    (#    684:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   20 ASP  HN           18 ALA  HA          5.50    (#    685:25  Preassigned    3.45, 3.54 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 282, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HB           18 ALA  HA          3.50    (#    686:25  Preassigned    2.83, 3.07 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 750, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG2          18 ALA  HA          5.50    (#    687:25  Preassigned    4.74, 5.35 A)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   19 GLY  HN           18 ALA  HA          2.80    (#    688:25  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 275, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  HN           18 ALA  HA          4.50    (#    689:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 265, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:690     18 ALA  HA          5.50    (#    690:25  Single Ambig)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 786, 277, 278,
 &end
#
#   18 ALA  QB           18 ALA  HA          2.80    (#    691:25  Preassigned    2.46, 2.66 A)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  25-3:692     18 ALA  HA          4.50    (#    692:25  Single Ambig)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 809, 810, 811,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  QG1          18 ALA  HA          3.50    (#    693:25  Preassigned    2.15, 3.20 A)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   52 LYS  HN           66 LEU  HA          4.50    (#    694:25  Preassigned    2.52, 2.72 A)
 &rst
  ixpk= 694, nxpk= 25, iat= 815,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           66 LEU  HA          2.80    (#    695:25  Preassigned    2.19, 2.26 A)
 &rst
  ixpk= 695, nxpk= 25, iat=1053,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HA           66 LEU  HA          3.50    (#    697:25  Preassigned    2.36, 2.47 A)
 &rst
  ixpk= 697, nxpk= 25, iat= 801,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HB+          66 LEU  HA          3.50    (#    698:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1038,1039,
 &end
#
#   66 LEU  HB-          66 LEU  HA          3.50    (#    699:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1038,1039,
 &end
#
#   52 LYS  HG+          66 LEU  HA          5.50    (#    700:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   51 VAL  QG1          66 LEU  HA          5.50    (#    701:25  Unique         3.34, 4.66 A)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-3:702     66 LEU  HA          5.50    (#    702:25  Single Ambig)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30, 756, 757, 758,
 &end
#
#    0 AMB  25-3:703     66 LEU  HA          3.50    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   66 LEU  HN           65 LEU  HA          5.50    (#    704:25  Preassigned    4.53, 4.59 A)
 &rst
  ixpk= 704, nxpk= 25, iat=1015,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           66 LEU  HA          5.50    (#    705:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 705, nxpk= 25, iat=1034,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           66 LEU  HA          5.50    (#    706:25  Preassigned    4.67, 4.76 A)
 &rst
  ixpk= 706, nxpk= 25, iat= 784,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:707     66 LEU  HA          5.50    (#    707:25  Single Ambig)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1057, 820,
 &end
#
#   48 VAL  QG1          66 LEU  HA          5.50    (#    708:25  Preassigned    4.18, 5.03 A)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   43 ASP  HN           42 ALA  HA          3.50    (#    709:25  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 673, 665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           42 ALA  HA          4.50    (#    710:25  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           42 ALA  HA          5.50    (#    711:25  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 711, nxpk= 25, iat= 685, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  QB           42 ALA  HA          2.80    (#    713:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 667, 668, 669,
 &end
#
#    3 VAL  QG1          42 ALA  HA          4.50    (#    714:25  Preassigned    2.53, 3.95 A)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2          42 ALA  HA          4.50    (#    715:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  25-3:716     42 ALA  HA          5.50    (#    716:25  Single Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#    0 AMB  25-3:717     42 ALA  HA          5.50    (#    717:25  Single Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 &end
#
#   11 LEU  HB2           10 ASN  HA          5.50    (#    719:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN            10 ASN  HA          7.00    (#    720:25  Preassigned    5.62, 5.69 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 896, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11 LEU  HN            10 ASN  HA          2.80    (#    721:25  Preassigned    2.18, 2.22 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 VAL  HN            10 ASN  HA          4.50    (#    722:25  Preassigned    3.05, 3.12 A)
 &rst
  ixpk= 722, nxpk= 25, iat= 935, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HD21          10 ASN  HA          5.50    (#    723:25  Preassigned    4.08, 4.11 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 124, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HD            10 ASN  HA          5.50    (#    724:25  Preassigned    3.95, 5.36 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   58 PHE  HA            10 ASN  HA          3.50    (#    727:25  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 727, nxpk= 25, iat= 917, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB2           10 ASN  HA          4.50    (#    728:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 728, nxpk= 25, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3           10 ASN  HA          3.50    (#    729:25  Preassigned    2.48, 2.49 A)
 &rst
  ixpk= 729, nxpk= 25, iat= 120, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG2           10 ASN  HA          5.50    (#    730:25  Preassigned    2.37, 3.34 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   11 LEU  QD-           10 ASN  HA          5.50    (#    731:25  Preassigned    3.93, 6.68 A)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   58 PHE  HB2           10 ASN  HA          5.50    (#    733:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 919, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB2           10 ASN  HA          5.50    (#    734:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           29 ALA  HA          3.50    (#    735:25  Preassigned    2.49, 2.54 A)
 &rst
  ixpk= 735, nxpk= 25, iat= 432, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           29 ALA  HA          5.50    (#    736:25  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 736, nxpk= 25, iat= 172, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           29 ALA  HA          2.80    (#    737:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-3:738     29 ALA  HA          5.50    (#    738:25  Single Ambig)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1024,1025,1026,1028,1029,1030, 634, 635, 636, 412,
       413, 414,
 &end
#
#   15 HID  HN           29 ALA  HA          4.50    (#    739:25  Preassigned    3.16, 3.19 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 210, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           29 ALA  HA          4.50    (#    740:25  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HD2          29 ALA  HA          5.50    (#    741:25  Preassigned    2.21, 2.25 A)
 &rst
  ixpk= 741, nxpk= 25, iat= 223, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA            0 AMB  25-1:742    5.50    (#    742:25  Single Ambig)
 &rst
  ixpk= 742, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 424, 615, 616,
 &end
#
#    0 AMB  25-3:744      0 AMB  25-1:744    5.50    (#    744:25  Double Ambig)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 630, 131,
 igr2= 615, 616, 424,
 &end
#
#   55 GLU  HA           29 ALA  HA          7.00    (#    746:25  Preassigned    6.57, 6.71 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 883, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   31 LEU  HB2          39 PRO  HD+         5.50    (#    747:25  Unique         5.95, 6.20 A)
 &rst
  ixpk= 747, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:748      0 AMB  25-1:748    5.50    (#    748:25  Double Ambig)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 200, 201, 202, 605, 606,
 igr2= 424, 615, 616,
 &end
#
#   30 ILE  QG2          39 PRO  HD+         5.50    (#    749:25  Preassigned    4.10, 5.72 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:750      0 AMB  25-1:750    5.50    (#    750:25  Double Ambig)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 176, 445, 446, 447, 233, 234, 235,
 igr2= 424, 615, 616,
 &end
#
#    0 AMB  25-3:751     29 ALA  HA          5.50    (#    751:25  Single Ambig)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 237, 238, 239,
 &end
#
#    0 AMB  25-3:752     29 ALA  HA          5.50    (#    752:25  Single Ambig)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 212, 649,
 &end
#
#   27 GLU  HA           29 ALA  HA          7.00    (#    753:25  Unique         6.08, 6.14 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 393, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   39 ILE  HA           38 PRO  HD+         2.80    (#    754:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 754, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HD+         5.50    (#    757:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG-          39 PRO  HD+         4.50    (#    758:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG+          39 PRO  HD+         4.50    (#    759:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:760      0 AMB  25-1:760    5.50    (#    760:25  Double Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 584, 585, 599,
 igr2= 615, 616, 615, 616,
 &end
#
#   39 PRO  HB-          39 PRO  HD+         5.50    (#    761:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 ILE  QG2          38 PRO  HD+         5.50    (#    762:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602, 603,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:764     39 PRO  HD-         5.50    (#    764:25  Single Ambig)
 &rst
  ixpk= 764, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 605, 606, 442, 443,
 igr2= 615, 616,
 &end
#
#   39 ILE  HG1-         38 PRO  HD-         5.50    (#    765:25  Preassigned    4.52, 5.36 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 605, 606,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:766     39 PRO  HD-         5.50    (#    766:25  Single Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 438, 439, 440, 442, 443,
 igr2= 615, 616,
 &end
#
#   39 ILE  HA           38 PRO  HD-         3.50    (#    767:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 767, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HD-         5.50    (#    770:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG-          39 PRO  HD-         4.50    (#    771:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG+          39 PRO  HD-         4.50    (#    772:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:773     39 PRO  HD-         5.50    (#    773:25  Single Ambig)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 584, 585, 599,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB-          39 PRO  HD-         4.50    (#    774:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 ILE  QG2          38 PRO  HD-         4.50    (#    775:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602, 603,
 igr2= 615, 616,
 &end
#
#   39 ILE  QD1          38 PRO  HD-         5.50    (#    776:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 615, 616,
 &end
#
#   61 GLU  HN            8 ALA  HA          5.50    (#    779:25  Preassigned    3.20, 3.28 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 965, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:780      8 ALA  HA          5.50    (#    780:25  Single Ambig)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 507, 508, 509, 939,
 &end
#
#    9 GLY  HN            8 ALA  HA          2.80    (#    781:25  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 781, nxpk= 25, iat= 108, 100, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 GLY  HA-           8 ALA  HA          5.50    (#    782:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    8 ALA  QB            8 ALA  HA          2.80    (#    783:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 102, 103, 104,
 &end
#
#    5 ILE  QG2           8 ALA  HA          5.50    (#    784:25  Preassigned    4.71, 5.24 A)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    8 ALA  HN            8 ALA  HA          4.50    (#    785:25  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 785, nxpk= 25, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG2           8 ALA  HA          5.50    (#    788:25  Preassigned    4.52, 5.76 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  25-3:789      8 ALA  HA          5.50    (#    789:25  Single Ambig)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   38 ILE  QD1          31 LEU  HB3         5.50    (#    790:25  Preassigned    2.99, 4.47 A)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HN           31 LEU  HB3         5.50    (#    791:25  Preassigned    4.00, 4.11 A)
 &rst
  ixpk= 791, nxpk= 25, iat= 595, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:793     31 LEU  HB2         5.50    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 630,
 &end
#
#   38 ILE  HG1-         31 LEU  HB3         5.50    (#    794:25  Preassigned    3.66, 4.69 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   31 ILE  QG2          30 LEU  HB3         5.50    (#    795:25  Unique         5.14, 6.03 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:796     31 LEU  HB3         5.50    (#    796:25  Single Ambig)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643,  58,  59,  60,
 &end
#
#   32 GLU  HN           31 LEU  HB3         5.50    (#    797:25  Preassigned    3.13, 3.23 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 470, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           31 LEU  HB3         4.50    (#    798:25  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 798, nxpk= 25, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HB           31 LEU  HB3         3.50    (#    799:25  Preassigned    3.52, 3.53 A)
 &rst
  ixpk= 799, nxpk= 25, iat= 599, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:801     31 LEU  HB3         5.50    (#    801:25  Single Ambig)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#    0 AMB  25-3:802     31 LEU  HB3         4.50    (#    802:25  Single Ambig)
 &rst
  ixpk= 802, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    0 AMB  25-3:803     31 LEU  HB3         5.50    (#    803:25  Single Ambig)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 434,
 &end
#
#   32 GLU  HN           31 LEU  HB2         5.50    (#    804:25  Preassigned    4.09, 4.17 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 470, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         31 LEU  HB2         5.50    (#    805:25  Preassigned    3.17, 4.02 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   31 ILE  QG2          30 LEU  HB2         5.50    (#    806:25  Unique         4.33, 5.05 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:807     31 LEU  HB2         5.50    (#    807:25  Single Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602, 603,  51,  52,  53,
 &end
#
#   31 LEU  HN           31 LEU  HB2         4.50    (#    808:25  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 808, nxpk= 25, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  QD1          31 LEU  HB2         4.50    (#    809:25  Preassigned    2.74, 4.21 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  25-3:810     31 LEU  HB2         3.50    (#    810:25  Single Ambig)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    0 AMB  25-3:811     31 LEU  HB2         5.50    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 115, 148, 628,
 &end
#
#   38 ILE  HB           31 LEU  HB2         4.50    (#    813:25  Preassigned    2.07, 2.11 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 599, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HG1-         31 LEU  HB2         5.50    (#    815:25  Preassigned    3.17, 4.02 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:816     31 LEU  HB2         5.50    (#    816:25  Single Ambig)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 434,
 &end
#
#   38 ILE  QD1          31 LEU  HB2         5.50    (#    817:25  Preassigned    2.88, 4.18 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  25-3:818      0 AMB  25-1:818    5.50    (#    818:25  Double Ambig)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1087, 311,
 igr2= 722, 723, 722, 723,
 &end
#
#   68 LEU  HB2          46 GLY  HA+         5.50    (#    819:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 819, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA+         5.50    (#    820:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD1          46 GLY  HA+         5.50    (#    821:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA+         4.50    (#    822:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA+         5.50    (#    823:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:825      0 AMB  25-1:825    5.50    (#    825:25  Double Ambig)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 737, 738,1072,
 igr2= 722, 723, 722, 723,
 &end
#
#   68 LEU  QD2          46 GLY  HA+         5.50    (#    826:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA+         4.50    (#    827:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA+         5.50    (#    828:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 828, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   46 SER  HA           45 GLY  HA+         5.50    (#    829:25  Preassigned    4.39, 4.53 A)
 &rst
  ixpk= 829, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   48 VAL  HA           46 GLY  HA+         7.00    (#    831:25  Preassigned    5.41, 6.22 A)
 &rst
  ixpk= 831, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA+         5.50    (#    832:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 832, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD1          46 GLY  HA+         5.50    (#    833:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD2          46 GLY  HA+         5.50    (#    834:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:836      0 AMB  25-1:836    5.50    (#    836:25  Double Ambig)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 925, 929,  81,
 igr2= 110, 111, 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA+         4.50    (#    837:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 837, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA+         5.50    (#    838:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   31 LEU  QD-           9 GLY  HA+         5.50    (#    839:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA+         4.50    (#    841:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 841, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA+         4.50    (#    842:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 842, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#   58 PHE  HD            9 GLY  HA+         7.00    (#    843:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#    9 ALA  HA            8 GLY  HA+         5.50    (#    844:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA+         5.50    (#    845:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 845, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:846      0 AMB  25-1:846    5.50    (#    846:25  Double Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 737, 738, 692, 693, 102, 103, 104,
 igr2= 722, 723, 110, 111,
 &end
#
#    0 AMB  25-3:847      0 AMB  25-1:847    5.50    (#    847:25  Double Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 692, 693, 455,
 igr2= 722, 723, 110, 111,
 &end
#
#    0 AMB  25-3:848      0 AMB  25-1:848    4.50    (#    848:25  Double Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 110, 111, 110, 111,
 &end
#
#   46 GLY  HN           46 GLY  HA-         5.50    (#    849:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 849, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:851     46 GLY  HA-         5.50    (#    851:25  Single Ambig)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 729, 711, 296,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA-         4.50    (#    852:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 852, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA-         5.50    (#    854:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 854, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB2          46 GLY  HA-         5.50    (#    855:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 855, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA-         4.50    (#    856:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 856, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &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= 9.34, r4= 9.84,
 igr1= 945, 946, 947, 324, 325, 326,
 igr2= 110, 111, 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA-         5.50    (#    859:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:861     46 GLY  HA-         5.50    (#    861:25  Single Ambig)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 729, 711, 296,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA-         5.50    (#    862:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    9 ALA  QB            8 GLY  HA-         5.50    (#    863:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA-         5.50    (#    864:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:865      9 GLY  HA-         5.50    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 925, 929,  81,
 igr2= 110, 111,
 &end
#
#    9 ALA  HA            8 GLY  HA-         5.50    (#    866:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 866, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA-         5.50    (#    867:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 867, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   31 LEU  HB2           9 GLY  HA-         5.50    (#    868:25  Preassigned    4.94, 5.87 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:869      9 GLY  HA-         4.50    (#    869:25  Single Ambig)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA-         4.50    (#    870:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 ALA  QB            8 GLY  HA-         5.50    (#    871:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 110, 111,
 &end
#
#   59 VAL  QG2           9 GLY  HA-         5.50    (#    872:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA-         4.50    (#    873:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 873, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA-         5.50    (#    874:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 874, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:875      9 GLY  HA-         5.50    (#    875:25  Single Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 925, 929,  81,
 igr2= 110, 111,
 &end
#
#   57 ASP  HN           56 GLY  HA+         5.50    (#    876:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   63 ASP  HN           62 GLY  HA+         5.50    (#    877:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   26 GLN  HN           25 GLY  HA+         5.50    (#    878:25  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 878, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA+         5.50    (#    881:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   41 VAL  HB           25 GLY  HA+         5.50    (#    882:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   25 GLY  HN           25 GLY  HA+         4.50    (#    883:25  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#   63 ASP  HN           62 GLY  HA+         5.50    (#    884:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA+         4.50    (#    885:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 885, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#   62 GLU  HB3          61 GLY  HA+         5.50    (#    886:25  Preassigned    4.87, 5.35 A)
 &rst
  ixpk= 886, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   64 VAL  QG1          62 GLY  HA+         5.50    (#    888:25  Preassigned    6.34, 7.42 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2= 982, 983,
 &end
#
#   57 ASP  HN           56 GLY  HA-         5.50    (#    889:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HA-         5.50    (#    890:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HA-         5.50    (#    892:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 892, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   63 ASP  HN           62 GLY  HA-         5.50    (#    893:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA-         4.50    (#    894:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 894, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#    4 SER  HN           62 GLY  HA-         7.00    (#    896:25  Preassigned    6.20, 7.32 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA-         4.50    (#    897:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#   63 ASP  HN           62 GLY  HA-         5.50    (#    898:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   25 LYS  QG           24 GLY  HA-         5.50    (#    899:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA-         4.50    (#    900:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   41 VAL  HB           25 GLY  HA-         5.50    (#    901:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 901, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   25 LYS  QG           24 GLY  HA-         5.50    (#    902:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   48 VAL  HN           19 GLY  HA-         5.50    (#    904:25  Preassigned    4.34, 5.14 A)
 &rst
  ixpk= 904, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   25 GLY  HN           25 GLY  HA-         3.50    (#    905:25  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 905, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 369, 370,
 &end
#
#   26 GLN  HN           25 GLY  HA-         5.50    (#    906:25  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 906, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA-         4.50    (#    907:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   66 LEU  HN           66 LEU  HB+         5.50    (#    909:25  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 909, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    3 VAL  QG2          66 LEU  HB+         5.50    (#    910:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB+         5.50    (#    911:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   67 GLU  HN           66 LEU  HB+         5.50    (#    912:25  Preassigned    2.41, 3.65 A)
 &rst
  ixpk= 912, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   66 LEU  HA           66 LEU  HB+         4.50    (#    913:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 913, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   51 VAL  HA           66 LEU  HB+         5.50    (#    914:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:916      0 AMB  25-1:916    5.50    (#    916:25  Double Ambig)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  24,  25,  26, 233, 234, 235,
 igr2=1038,1039,1038,1039,
 &end
#
#    0 AMB  25-3:917      0 AMB  25-1:917    3.50    (#    917:25  Double Ambig)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1038,1039,1038,1039,
 &end
#
#    0 AMB  25-3:918      0 AMB  25-1:918    4.50    (#    918:25  Double Ambig)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 752, 753, 754, 324, 325, 326,
 igr2=1038,1039,1038,1039,
 &end
#
#    3 VAL  HB           66 LEU  HB-         4.50    (#    919:25  Preassigned    2.05, 2.72 A)
 &rst
  ixpk= 919, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:920     66 LEU  HB-         5.50    (#    920:25  Single Ambig)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  24,  25,  26, 233, 234, 235,
 igr2=1038,1039,
 &end
#
#   48 VAL  QG1          66 LEU  HB-         5.50    (#    921:25  Preassigned    2.70, 5.75 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2=1038,1039,
 &end
#
#   67 GLU  HN           66 LEU  HB-         5.50    (#    922:25  Preassigned    2.41, 3.65 A)
 &rst
  ixpk= 922, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   66 LEU  HA           66 LEU  HB-         4.50    (#    923:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 923, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   51 VAL  HA           66 LEU  HB-         5.50    (#    924:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:926     66 LEU  HB-         3.50    (#    926:25  Single Ambig)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB-         5.50    (#    927:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   57 ASP  HN           56 GLY  HA+         5.50    (#    928:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 928, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#    0 AMB  25-3:930      0 AMB  25-1:930    3.50    (#    930:25  Double Ambig)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 896, 275,
 igr2= 898, 899, 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA+         5.50    (#    931:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   20 ASP  HN           19 GLY  HA+         5.50    (#    932:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 932, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA+         5.50    (#    934:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   20 ASP  HN           19 GLY  HA+         5.50    (#    935:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA+         5.50    (#    936:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA+         5.50    (#    937:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   56 GLY  HN           56 GLY  HA-         3.50    (#    938:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 938, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 898, 899,
 &end
#
#   57 ASP  HN           56 GLY  HA-         5.50    (#    940:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   20 ASP  HN           19 GLY  HA-         5.50    (#    941:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 941, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA-         4.50    (#    943:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA-         5.50    (#    944:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   19 GLY  HN           19 GLY  HA-         3.50    (#    945:25  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 945, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 277, 278,
 &end
#
#   51 VAL  QG1          66 LEU  HB+         5.50    (#    946:25  Unique         4.43, 6.29 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807,
 igr2=1038,1039,
 &end
#
#   66 LEU  HN           66 LEU  HB+         5.50    (#    947:25  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 947, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    3 VAL  QG2          66 LEU  HB-         5.50    (#    948:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2=1038,1039,
 &end
#
#   51 VAL  QG1          66 LEU  HB-         5.50    (#    949:25  Unique         4.43, 6.29 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB-         5.50    (#    950:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   68 LEU  HN           68 LEU  HB3         5.50    (#    951:25  Preassigned    3.76, 3.80 A)
 &rst
  ixpk= 951, nxpk= 25, iat=1068,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HB3         5.50    (#    952:25  Preassigned    2.36, 2.88 A)
 &rst
  ixpk= 952, nxpk= 25, iat=1087,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  QD1          68 LEU  HB3         4.50    (#    954:25  Preassigned    2.46, 3.09 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1078,1079,
 &end
#
#   68 LEU  HA           68 LEU  HB3         4.50    (#    955:25  Preassigned    2.37, 2.40 A)
 &rst
  ixpk= 955, nxpk= 25, iat=1070,1073, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           68 LEU  HB2         4.50    (#    957:25  Preassigned    3.41, 3.81 A)
 &rst
  ixpk= 957, nxpk= 25, iat=1087,1072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           68 LEU  HB2         5.50    (#    958:25  Preassigned    2.64, 2.71 A)
 &rst
  ixpk= 958, nxpk= 25, iat=1068,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:959     68 LEU  HB2         5.50    (#    959:25  Single Ambig)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727,1053,
 &end
#
#   68 LEU  HA           68 LEU  HB2         4.50    (#    960:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 960, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  QD1          68 LEU  HB2         4.50    (#    963:25  Preassigned    2.41, 3.08 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1078,1079,
 &end
#
#   68 LEU  QD2          68 LEU  HB2         4.50    (#    964:25  Preassigned    3.75, 3.95 A)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   65 LEU  HN           65 LEU  HB3         4.50    (#    965:25  Preassigned    2.57, 2.67 A)
 &rst
  ixpk= 965, nxpk= 25, iat=1015,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN           65 LEU  HB3         4.50    (#    966:25  Preassigned    2.41, 2.61 A)
 &rst
  ixpk= 966, nxpk= 25, iat=1034,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 VAL  HB           65 LEU  HB3         5.50    (#    967:25  Preassigned    2.71, 2.97 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  22,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HG           65 LEU  HB3         3.50    (#    968:25  Preassigned    2.47, 2.57 A)
 &rst
  ixpk= 968, nxpk= 25, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 VAL  QG1          65 LEU  HB3         5.50    (#    970:25  Preassigned    2.86, 4.35 A)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#    0 AMB  25-3:971     65 LEU  HB3         4.50    (#    971:25  Single Ambig)
 &rst
  ixpk= 971, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1024,1025,1026,1028,1029,1030,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   65 LEU  QD-          65 LEU  HB3         3.50    (#    972:25  Preassigned    2.39, 3.46 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  HB3         5.50    (#    973:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 973, nxpk= 25, iat=1017,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:974     65 LEU  HB3         7.00    (#    974:25  Single Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#    5 ILE  HG1+         65 LEU  HB3         5.50    (#    975:25  Preassigned    3.72, 4.65 A)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HB           65 LEU  HB2         5.50    (#    976:25  Preassigned    4.16, 4.61 A)
 &rst
  ixpk= 976, nxpk= 25, iat=  49,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:977     65 LEU  HB2         5.50    (#    977:25  Single Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#    0 AMB  25-3:979     65 LEU  HB2         3.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  25-3:981     65 LEU  HB2         3.50    (#    981:25  Single Ambig)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  58,  59,  60,1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HN           65 LEU  HB2         5.50    (#    982:25  Preassigned    2.83, 3.19 A)
 &rst
  ixpk= 982, nxpk= 25, iat=1015,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HA           65 LEU  HB2         4.50    (#    983:25  Preassigned    2.41, 2.47 A)
 &rst
  ixpk= 983, nxpk= 25, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:984     65 LEU  HB2         5.50    (#    984:25  Single Ambig)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#   65 LEU  QD+          65 LEU  HB2         4.50    (#    985:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  HB2         5.50    (#    986:25  Preassigned    3.63, 3.93 A)
 &rst
  ixpk= 986, nxpk= 25, iat=1034,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HN           44 ARG  QD          5.50    (#    987:25  Unique         3.91, 5.69 A)
 &rst
  ixpk= 987, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   44 ARG  HA           44 ARG  QD          5.50    (#    988:25  Unique         2.18, 4.37 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   24 LYS  QE           44 ARG  QD          5.50    (#    991:25  Preassigned    4.10, 6.97 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 358, 359,
 igr2= 695, 696,
 &end
#
#   44 ASP  HB2          43 ARG  QD          5.50    (#    992:25  Preassigned    3.83, 5.35 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   44 ARG  HB+          44 ARG  QD          4.50    (#    993:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 695, 696,
 &end
#
#   44 ARG  HB-          44 ARG  QD          4.50    (#    994:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 695, 696,
 &end
#
#   44 ARG  HG+          44 ARG  QD          3.50    (#    995:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 695, 696,
 &end
#
#   44 ARG  HG-          44 ARG  QD          3.50    (#    996:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 695, 696,
 &end
#
#   68 LEU  QD1          44 ARG  QD          4.50    (#    997:25  Preassigned    2.41, 5.10 A)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1077,1078,1079,
 igr2= 695, 696,
 &end
#
#   44 ARG  HN           44 ARG  QD          5.50    (#    998:25  Preassigned    2.22, 4.17 A)
 &rst
  ixpk= 998, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#    3 VAL  QG1          44 ARG  QD          5.50    (#   1002:25  Preassigned    3.21, 6.50 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 695, 696,
 &end
#
#   35 BTL  HB2          35 BTL  HE-         5.50    (#   1003:25  Preassigned    2.30, 4.45 A)
 &rst
  ixpk= 1003, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   64 VAL  HN           53 LYS  QE          5.50    (#   1004:25  Preassigned    3.76, 4.00 A)
 &rst
  ixpk= 1004, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   60 ASN  HN           53 LYS  QE          5.50    (#   1005:25  Preassigned    4.39, 5.28 A)
 &rst
  ixpk= 1005, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   57 ASP  HB2          53 LYS  QE          5.50    (#   1006:25  Preassigned    6.16, 6.83 A)
 &rst
  ixpk= 1006, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   12 TRP  HB2          30 ILE  HB          5.50    (#   1007:25  Preassigned    4.21, 4.56 A)
 &rst
  ixpk= 1007, nxpk= 25, iat= 152, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1008    35 BTL  HE-         5.50    (#   1008:25  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 520, 521, 540,
 igr2= 526, 527,
 &end
#
#   35 BTL  HZ1          35 BTL  HE-         4.50    (#   1009:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 1009, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#   35 BTL  HD+          35 BTL  HE-         3.50    (#   1011:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 523, 524,
 igr2= 526, 527,
 &end
#
#   35 BTL  HG+          35 BTL  HE-         4.50    (#   1012:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 520, 521,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-3:1013     0 AMB  25-1:1013   2.80    (#   1013:25  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 869, 870, 253, 254,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1015     0 AMB  25-1:1015   5.50    (#   1015:25  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 861, 284, 245,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1016     0 AMB  25-1:1016   4.50    (#   1016:25  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 866, 867, 250, 251,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1017     0 AMB  25-1:1017   4.50    (#   1017:25  Double Ambig)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 866, 867, 250, 251,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1019     0 AMB  25-1:1019   2.80    (#   1019:25  Double Ambig)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 355, 356, 847, 848, 350,
 igr2= 358, 359, 850, 851,
 &end
#
#   24 LYS  QG           24 LYS  QE          3.50    (#   1020:25  Preassigned    2.42, 3.25 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 352, 353,
 igr2= 358, 359,
 &end
#
#   59 VAL  HA           53 LYS  QE          5.50    (#   1022:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   63 ASP  HB2          53 LYS  QE          4.50    (#   1023:25  Preassigned    4.68, 5.21 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 850, 851,
 &end
#
#   53 LYS  HD-          53 LYS  QE          3.50    (#   1024:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 848,
 igr2= 850, 851,
 &end
#
#   59 VAL  QG1          53 LYS  QE          4.50    (#   1025:25  Preassigned    1.95, 3.75 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 850, 851,
 &end
#
#   59 VAL  QG2          53 LYS  QE          5.50    (#   1026:25  Preassigned    5.36, 6.65 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 850, 851,
 &end
#
#   43 ASP  HA           24 LYS  QE          5.50    (#   1027:25  Preassigned    2.96, 5.16 A)
 &rst
  ixpk= 1027, nxpk= 25, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 358, 359,
 &end
#
#    0 AMB  25-3:1028     0 AMB  25-1:1028   5.50    (#   1028:25  Double Ambig)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1017, 369, 370,
 igr2= 850, 851, 358, 359,
 &end
#
#   53 LYS  HG+          53 LYS  QE          3.50    (#   1029:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 844, 845,
 igr2= 850, 851,
 &end
#
#   35 BTL  HZ1          35 BTL  HE+         3.50    (#   1030:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#   35 BTL  HB2          35 BTL  HE+         5.50    (#   1032:25  Preassigned    2.30, 4.45 A)
 &rst
  ixpk= 1032, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   35 BTL  HD-          35 BTL  HE+         4.50    (#   1033:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 523, 524,
 igr2= 526, 527,
 &end
#
#   35 BTL  HG+          35 BTL  HE+         4.50    (#   1034:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 520, 521,
 igr2= 526, 527,
 &end
#
#    8 ALA  QB           60 ASN  HB+         5.50    (#   1036:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#   60 ASN  HD22         60 ASN  HB+         5.50    (#   1037:25  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 1037, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 VAL  HA           59 ASN  HB+         5.50    (#   1038:25  Unique         3.88, 4.56 A)
 &rst
  ixpk= 1038, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#    0 AMB  25-3:1039     0 AMB  25-1:1039   3.50    (#   1039:25  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 965, 951,
 igr2= 955, 956, 955, 956,
 &end
#
#   60 ASN  HD21         60 ASN  HB+         5.50    (#   1040:25  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1040, nxpk= 25, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 ASN  HA           60 ASN  HB+         4.50    (#   1041:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#    8 ALA  QB           60 ASN  HB-         5.50    (#   1042:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#    0 AMB  25-3:1043    60 ASN  HB-         3.50    (#   1043:25  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 951,
 igr2= 955, 956,
 &end
#
#   60 ASN  HD21         60 ASN  HB-         4.50    (#   1044:25  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#   60 VAL  HA           59 ASN  HB-         5.50    (#   1045:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 1045, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 ASN  HA           60 ASN  HB-         4.50    (#   1046:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 1046, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#   30 ILE  HN           30 ILE  HB          5.50    (#   1047:25  Preassigned    2.72, 2.84 A)
 &rst
  ixpk= 1047, nxpk= 25, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           30 ILE  HB          5.50    (#   1048:25  Preassigned    2.43, 2.61 A)
 &rst
  ixpk= 1048, nxpk= 25, iat= 172, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1049    30 ILE  HB          5.50    (#   1049:25  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 167, 220,
 &end
#
#   30 ILE  HA           30 ILE  HB          5.50    (#   1050:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1050, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1051    30 ILE  HB          2.80    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 438, 439, 440, 442, 443, 445, 446, 447,
 &end
#
#   12 TRP  HD1          30 ILE  HB          5.50    (#   1052:25  Preassigned    5.07, 5.11 A)
 &rst
  ixpk= 1052, nxpk= 25, iat= 156, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HA           52 LYS  HE-         5.50    (#   1053:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 1053, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#    0 AMB  25-3:1055     0 AMB  25-1:1055   5.50    (#   1055:25  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 689, 690, 791, 792,1003, 788,
 igr2= 358, 359, 828, 829, 775, 776,
 &end
#
#   49 LYS  HD+          49 LYS  QE          4.50    (#   1056:25  Preassigned    2.34, 2.69 A)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 772, 773,
 igr2= 775, 776,
 &end
#
#   49 LYS  HG-          49 LYS  QE          4.50    (#   1057:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 770,
 igr2= 775, 776,
 &end
#
#    0 AMB  25-3:1060     0 AMB  25-1:1060   5.50    (#   1060:25  Double Ambig)
 &rst
  ixpk= 1060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1058, 789,
 igr2= 828, 829, 828, 829,
 &end
#
#   52 LYS  QD           52 LYS  HE+         5.50    (#   1061:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#   52 LYS  HA           52 LYS  HE+         5.50    (#   1062:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 1062, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   60 ASN  HD22         60 ASN  HB-         5.50    (#   1064:25  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 1064, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   50 GLU  HN            0 AMB  25-1:1065   5.50    (#   1065:25  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 828, 829, 775, 776,
 &end
#
#   15 HID  HE1          13 LYS  HE-         5.50    (#   1066:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 1066, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   55 GLU  HG-          13 LYS  HE-         5.50    (#   1068:25  Preassigned    6.31, 6.97 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD-          13 LYS  HE-         4.50    (#   1069:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   30 ILE  QD1          13 LYS  HE-         5.50    (#   1070:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447,
 igr2= 185, 186,
 &end
#
#   13 TRP  HH2          12 LYS  HE+         5.50    (#   1071:25  Preassigned    5.12, 6.09 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD+          13 LYS  HE-         5.50    (#   1074:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG-          13 LYS  HE-         5.50    (#   1075:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG+          13 LYS  HE-         5.50    (#   1076:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   13 TRP  HH2          12 LYS  HE-         5.50    (#   1077:25  Preassigned    5.12, 6.09 A)
 &rst
  ixpk= 1077, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   27 GLU  HG+          13 LYS  HE-         5.50    (#   1078:25  Preassigned    6.14, 7.21 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 185, 186,
 &end
#
#   27 GLU  HG+          13 LYS  HE+         5.50    (#   1079:25  Preassigned    6.14, 7.21 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 185, 186,
 &end
#
#   55 GLU  HG-          13 LYS  HE+         5.50    (#   1080:25  Preassigned    6.31, 6.97 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD+          13 LYS  HE+         4.50    (#   1081:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   30 ILE  QD1          13 LYS  HE+         5.50    (#   1082:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG-          13 LYS  HE+         5.50    (#   1083:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   15 HID  HE1          13 LYS  HE+         5.50    (#   1084:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD-          13 LYS  HE+         5.50    (#   1087:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG+          13 LYS  HE+         4.50    (#   1088:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   54 LYS  HN           57 ASP  HB3         5.50    (#   1089:25  Preassigned    2.36, 2.53 A)
 &rst
  ixpk= 1089, nxpk= 25, iat= 859, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           57 ASP  HB3         3.50    (#   1090:25  Preassigned    2.60, 2.68 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           57 ASP  HB3         4.50    (#   1091:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 905, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          57 ASP  HB3         5.50    (#   1092:25  Preassigned    2.54, 2.64 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 842, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          57 ASP  HB3         5.50    (#   1093:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HG+          57 ASP  HB2         5.50    (#   1094:25  Unique         2.23, 2.92 A)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#    0 AMB  25-3:1095    20 ASP  HB3         4.50    (#   1095:25  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 243, 294,
 &end
#
#   59 VAL  QG1          57 ASP  HB3         5.50    (#   1096:25  Preassigned    2.95, 4.35 A)
 &rst
  ixpk= 1096, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#    0 AMB  25-3:1097    57 ASP  HB3         5.50    (#   1097:25  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 133, 866, 867, 844, 845,
 &end
#
#    0 AMB  25-3:1098    57 ASP  HB3         5.50    (#   1098:25  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 847, 848, 869, 870,
 &end
#
#   11 LEU  QD-          57 ASP  HB3         5.50    (#   1099:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   32 GLU  HN            10 ASN  HB2         5.50    (#   1100:25  Preassigned    3.72, 3.79 A)
 &rst
  ixpk= 1100, nxpk= 25, iat= 470, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HB2         5.50    (#   1101:25  Preassigned    3.99, 4.15 A)
 &rst
  ixpk= 1101, nxpk= 25, iat= 129, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN            10 ASN  HB2         3.50    (#   1102:25  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HD21          10 ASN  HB2         4.50    (#   1103:25  Preassigned    2.29, 2.30 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 124, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HD22          10 ASN  HB2         5.50    (#   1104:25  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 1104, nxpk= 25, iat= 125, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HB2         4.50    (#   1105:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1105, nxpk= 25, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HG+           10 ASN  HB3         7.00    (#   1107:25  Preassigned    5.65, 6.03 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 477, 478,
 &end
#
#   63 ASP  HA           63 ASP  HB3         4.50    (#   1108:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1108, nxpk= 25, iat= 989, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1110     0 AMB  25-1:1110   4.50    (#   1110:25  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=  58,  59,  60, 941, 942, 943,1005,1006,1007,
 igr2= 992, 828, 829,
 &end
#
#   60 ASN  HN           63 ASP  HB3         5.50    (#   1111:25  Preassigned    1.92, 2.00 A)
 &rst
  ixpk= 1111, nxpk= 25, iat= 951, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HN           63 ASP  HB3         5.50    (#   1112:25  Preassigned    3.54, 3.62 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 999, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HB2          52 LYS  HE+         4.50    (#   1113:25  Preassigned    1.96, 3.00 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 828, 829,
 &end
#
#    5 ILE  HB           63 ASP  HB3         5.50    (#   1114:25  Preassigned    2.57, 2.73 A)
 &rst
  ixpk= 1114, nxpk= 25, iat=  49, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           57 ASP  HB2         4.50    (#   1115:25  Preassigned    2.28, 2.43 A)
 &rst
  ixpk= 1115, nxpk= 25, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          57 ASP  HB2         5.50    (#   1116:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 842, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          57 ASP  HB2         5.50    (#   1117:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HD+          57 ASP  HB2         5.50    (#   1118:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   57 ASP  HA           57 ASP  HB2         3.50    (#   1119:25  Preassigned    2.51, 2.55 A)
 &rst
  ixpk= 1119, nxpk= 25, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HB3          57 ASP  HB2         5.50    (#   1120:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1120, nxpk= 25, iat= 842, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  QG1          57 ASP  HB2         5.50    (#   1121:25  Preassigned    4.69, 6.08 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#   1122:25  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HN           57 ASP  HB2         4.50    (#   1123:25  Preassigned    3.87, 3.99 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 915, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD+          57 ASP  HB2         5.50    (#   1124:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   12 TRP  HA            10 ASN  HB3         5.50    (#   1125:25  Preassigned    4.62, 4.78 A)
 &rst
  ixpk= 1125, nxpk= 25, iat= 150, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD21          10 ASN  HB3         5.50    (#   1128:25  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 124, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HB3         5.50    (#   1129:25  Preassigned    2.96, 3.23 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 129, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HB3         4.50    (#   1130:25  Preassigned    2.48, 2.49 A)
 &rst
  ixpk= 1130, nxpk= 25, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HN           63 ASP  HB2         5.50    (#   1131:25  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 999, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HA           63 ASP  HB2         4.50    (#   1132:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 1132, nxpk= 25, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           63 ASP  HB2         4.50    (#   1133:25  Preassigned    4.68, 5.21 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
#   60 ASN  HN           63 ASP  HB2         5.50    (#   1134:25  Preassigned    2.19, 2.34 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 951, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1135    63 ASP  HB2         5.50    (#   1135:25  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 941, 942, 943,
 &end
#
#   63 ASP  HN           63 ASP  HB2         4.50    (#   1136:25  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 1136, nxpk= 25, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HB           63 ASP  HB2         5.50    (#   1138:25  Preassigned    3.81, 4.08 A)
 &rst
  ixpk= 1138, nxpk= 25, iat=  49, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1139    63 ASP  HB2         5.50    (#   1139:25  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 941, 942, 943,
 &end
#
#   12 TRP  HN           11 LEU  HB3         5.50    (#   1140:25  Preassigned    3.73, 4.38 A)
 &rst
  ixpk= 1140, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HB3         5.50    (#   1141:25  Preassigned    2.35, 3.63 A)
 &rst
  ixpk= 1141, nxpk= 25, iat= 883, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           11 LEU  HB3         5.50    (#   1142:25  Preassigned    2.91, 3.01 A)
 &rst
  ixpk= 1142, nxpk= 25, iat= 896, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HB3         4.50    (#   1143:25  Preassigned    2.52, 2.63 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HB3         5.50    (#   1144:25  Preassigned    3.73, 4.38 A)
 &rst
  ixpk= 1144, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           11 LEU  HB3         5.50    (#   1145:25  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 903, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           11 LEU  HB3         5.50    (#   1146:25  Preassigned    2.67, 3.01 A)
 &rst
  ixpk= 1146, nxpk= 25, iat= 131, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HB3         3.50    (#   1148:25  Preassigned    2.37, 2.53 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG2          11 LEU  HB3         4.50    (#   1149:25  Preassigned    2.64, 4.04 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   11 LEU  QD+          11 LEU  HB3         4.50    (#   1150:25  Preassigned    2.35, 3.49 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          11 LEU  HB3         4.50    (#   1151:25  Preassigned    2.35, 3.49 A)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HB3          11 LEU  HB3         5.50    (#   1152:25  Preassigned    3.56, 3.81 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 842, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           11 LEU  HB2         5.50    (#   1153:25  Preassigned    2.80, 4.46 A)
 &rst
  ixpk= 1153, nxpk= 25, iat= 896, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HB2         4.50    (#   1154:25  Preassigned    2.20, 2.31 A)
 &rst
  ixpk= 1154, nxpk= 25, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HB2         5.50    (#   1155:25  Preassigned    4.55, 4.60 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           11 LEU  HB2         5.50    (#   1156:25  Preassigned    2.27, 4.09 A)
 &rst
  ixpk= 1156, nxpk= 25, iat= 903, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HB2         3.50    (#   1158:25  Preassigned    2.46, 3.02 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 136, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    11 ASN  HA           10 LEU  HB2         5.50    (#   1159:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           11 LEU  HB2         4.50    (#   1160:25  Preassigned    2.55, 2.60 A)
 &rst
  ixpk= 1160, nxpk= 25, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          11 LEU  HB2         5.50    (#   1161:25  Preassigned    3.76, 3.87 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 842, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  QG1          11 LEU  HB2         4.50    (#   1162:25  Preassigned    2.53, 3.28 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 941, 942, 943,
 &end
#
#   11 LEU  QD+          11 LEU  HB2         4.50    (#   1163:25  Preassigned    2.40, 3.13 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          11 LEU  HB2         4.50    (#   1164:25  Preassigned    2.40, 3.13 A)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   12 TRP  HN           11 LEU  HB2         5.50    (#   1165:25  Preassigned    4.55, 4.60 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HB2         5.50    (#   1166:25  Preassigned    3.21, 5.28 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 883, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          20 ASP  HB3         5.50    (#   1169:25  Preassigned    3.47, 4.68 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1170     0 AMB  25-1:1170   2.80    (#   1170:25  Double Ambig)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 282, 987,
 igr2= 287, 992,
 &end
#
#   20 ASP  HA           20 ASP  HB3         4.50    (#   1171:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1171, nxpk= 25, iat= 284, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1172     0 AMB  25-1:1172   7.00    (#   1172:25  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 752, 753, 754, 733, 734, 735, 945, 946, 947, 324,
       325, 326,
 igr2= 287, 992,
 &end
#
#    0 AMB  25-3:1173     0 AMB  25-1:1173   4.50    (#   1173:25  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 756, 757, 758,  51,  52,  53,
 igr2= 287, 992,
 &end
#
#   16 VAL  HA           20 ASP  HB3         5.50    (#   1174:25  Preassigned    3.47, 3.60 A)
 &rst
  ixpk= 1174, nxpk= 25, iat= 229, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22          10 ASN  HB3         5.50    (#   1175:25  Preassigned    4.09, 4.10 A)
 &rst
  ixpk= 1175, nxpk= 25, iat= 125, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HN           20 ASP  HB2         4.50    (#   1176:25  Preassigned    3.86, 4.05 A)
 &rst
  ixpk= 1176, nxpk= 25, iat= 294, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HB           20 ASP  HB2         5.50    (#   1177:25  Preassigned    4.64, 4.97 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  QG2          20 ASP  HB2         5.50    (#   1178:25  Preassigned    5.06, 5.93 A)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   16 VAL  QG1          20 ASP  HB2         5.50    (#   1179:25  Preassigned    4.66, 5.95 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1180    20 ASP  HB2         5.50    (#   1180:25  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 733, 734, 735,
 &end
#
#   20 ASP  HA           20 ASP  HB2         3.50    (#   1181:25  Preassigned    2.46, 2.50 A)
 &rst
  ixpk= 1181, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG2          20 ASP  HB2         5.50    (#   1183:25  Preassigned    4.20, 5.24 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   20 ASP  HN           20 ASP  HB2         4.50    (#   1184:25  Preassigned    2.48, 2.57 A)
 &rst
  ixpk= 1184, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HN           22 ILE  HB          4.50    (#   1185:25  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 311, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 ILE  HB          4.50    (#   1186:25  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 1186, nxpk= 25, iat= 330, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#   1187:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 1187, nxpk= 25, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1188    22 ILE  HB          5.50    (#   1188:25  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 711, 296, 729,
 &end
#
#   26 GLN  HB3          22 ILE  HB          5.50    (#   1189:25  Preassigned    3.14, 3.26 A)
 &rst
  ixpk= 1189, nxpk= 25, iat= 379, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HG1-         22 ILE  HB          4.50    (#   1190:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1+         22 ILE  HB          4.50    (#   1191:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#    0 AMB  25-3:1192    22 ILE  HB          4.50    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758, 416, 417, 418,
 &end
#
#   22 ILE  QG2          22 ILE  HB          2.80    (#   1193:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QD1          22 ILE  HB          3.50    (#   1194:25  Preassigned    2.43, 3.15 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1195    22 ILE  HB          5.50    (#   1195:25  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 378, 410, 301, 302, 231,
 &end
#
#    0 AMB  25-3:1196    22 ILE  HB          5.50    (#   1196:25  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   68 LEU  QD2          22 ILE  HB          5.50    (#   1197:25  Preassigned    5.57, 6.18 A)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   43 ASP  HN           43 ASP  HB2         5.50    (#   1198:25  Preassigned    2.47, 2.53 A)
 &rst
  ixpk= 1198, nxpk= 25, iat= 673, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           43 ASP  HB2         3.50    (#   1199:25  Preassigned    2.42, 2.46 A)
 &rst
  ixpk= 1199, nxpk= 25, iat= 675, 677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASP  HN           43 ASP  HB3         5.50    (#   1201:25  Preassigned    2.45, 2.53 A)
 &rst
  ixpk= 1201, nxpk= 25, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           43 ASP  HB3         3.50    (#   1202:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 675, 678, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  HN           38 ILE  HB          5.50    (#   1204:25  Preassigned    3.37, 3.47 A)
 &rst
  ixpk= 1204, nxpk= 25, iat= 451, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HA           38 ILE  HB          5.50    (#   1205:25  Preassigned    3.00, 3.02 A)
 &rst
  ixpk= 1205, nxpk= 25, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QG2          38 ILE  HB          3.50    (#   1206:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  HN           38 ILE  HB          4.50    (#   1207:25  Preassigned    2.91, 3.00 A)
 &rst
  ixpk= 1207, nxpk= 25, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HA           37 ILE  HB          5.50    (#   1208:25  Preassigned    4.66, 4.90 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 582, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB3          38 ILE  HB          3.50    (#   1209:25  Preassigned    3.52, 3.53 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 456, 599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1210    38 ILE  HB          3.50    (#   1210:25  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 455, 605, 606,
 &end
#
#   38 ILE  QD1          38 ILE  HB          4.50    (#   1211:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   40 ILE  QD1          38 ILE  HB          5.50    (#   1212:25  Preassigned    2.64, 4.32 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  25-3:1213    38 ILE  HB          5.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   38 ILE  HG1-         38 ILE  HB          4.50    (#   1214:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          38 ILE  HB          5.50    (#   1215:25  Preassigned    5.04, 5.75 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   58 PHE  HN           58 PHE  HB2         3.50    (#   1216:25  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 1216, nxpk= 25, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HE           58 PHE  HB2         5.50    (#   1217:25  Preassigned    4.78, 5.11 A)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   58 PHE  HD           58 PHE  HB2         4.50    (#   1218:25  Preassigned    2.55, 3.11 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#   58 ASP  HA           57 PHE  HB2         5.50    (#   1221:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 1221, nxpk= 25, iat= 905, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HN           58 PHE  HB3         3.50    (#   1222:25  Preassigned    2.37, 2.41 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 915, 920, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HD           58 PHE  HB3         4.50    (#   1223:25  Preassigned    2.37, 3.08 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#   58 PHE  HA           58 PHE  HB3         4.50    (#   1224:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 917, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           58 PHE  HB2         5.50    (#   1227:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1227, nxpk= 25, iat= 117, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HA           58 PHE  HB2         4.50    (#   1228:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 1228, nxpk= 25, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           58 PHE  HB2         5.50    (#   1229:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 117, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           47 ILE  HB          4.50    (#   1230:25  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#   47 ILE  HG1+         47 ILE  HB          4.50    (#   1231:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HB          2.80    (#   1232:25  Preassigned    2.39, 2.66 A)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 733, 734, 735,
 &end
#
#   69 SER  HN           47 ILE  HB          5.50    (#   1233:25  Preassigned    3.29, 3.65 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=1087, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           47 ILE  HB          3.50    (#   1234:25  Preassigned    2.35, 2.52 A)
 &rst
  ixpk= 1234, nxpk= 25, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1235:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HB          4.50    (#   1236:25  Preassigned    2.59, 3.63 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 740, 741, 742,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#   1237:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1237, nxpk= 25, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1243     0 AMB  25-1:1243   5.50    (#   1243:25  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 442, 443, 445, 446, 447,
 igr2= 398, 399, 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HG+         5.50    (#   1244:25  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   40 ILE  HN           27 GLU  HG+         5.50    (#   1245:25  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 1245, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           27 GLU  HG+         7.00    (#   1246:25  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   15 HID  HD2          27 GLU  HG+         7.00    (#   1247:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 1247, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HG+         4.50    (#   1248:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB+          27 GLU  HG+         4.50    (#   1249:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HG+         2.80    (#   1250:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 398, 399,
 &end
#
#   27 GLU  HN           27 GLU  HG+         5.50    (#   1253:25  Preassigned    4.44, 4.46 A)
 &rst
  ixpk= 1253, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB-          27 GLU  HG+         5.50    (#   1254:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB+          27 GLU  HG-         5.50    (#   1256:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HG-         5.50    (#   1258:25  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1258, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   27 GLU  HN           27 GLU  HG-         5.50    (#   1259:25  Preassigned    4.44, 4.46 A)
 &rst
  ixpk= 1259, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           27 GLU  HG-         7.00    (#   1260:25  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   15 HID  HD2          27 GLU  HG-         5.50    (#   1261:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HG-         4.50    (#   1262:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 1262, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HG-         2.80    (#   1264:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 398, 399,
 &end
#
#   61 GLU  HA            5 ILE  HB          5.50    (#   1265:25  Preassigned    3.95, 4.24 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 967,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN            5 ILE  HB          5.50    (#   1266:25  Preassigned    3.43, 3.83 A)
 &rst
  ixpk= 1266, nxpk= 25, iat= 980,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN            5 ILE  HB          3.50    (#   1267:25  Preassigned    2.24, 2.30 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  45,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 SER  HA            4 ILE  HB          5.50    (#   1268:25  Preassigned    4.47, 4.52 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=  36,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3           5 ILE  HB          5.50    (#   1269:25  Preassigned    2.57, 2.73 A)
 &rst
  ixpk= 1269, nxpk= 25, iat= 992,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-          5 ILE  HB          4.50    (#   1270:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1+          5 ILE  HB          4.50    (#   1271:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#   63 ASP  HN            5 ILE  HB          5.50    (#   1272:25  Preassigned    2.49, 2.96 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 987,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            5 ILE  HB          5.50    (#   1273:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1274     5 ILE  HB          5.50    (#   1274:25  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  39, 982, 983,  38,
 &end
#
#    5 ILE  QG2           5 ILE  HB          3.50    (#   1275:25  Preassigned    2.34, 2.65 A)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  HB          4.50    (#   1276:25  Preassigned    2.32, 3.92 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   63 ASP  HB2           5 ILE  HB          5.50    (#   1277:25  Preassigned    3.81, 4.08 A)
 &rst
  ixpk= 1277, nxpk= 25, iat= 991,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HB            5 ILE  HB          5.50    (#   1278:25  Preassigned    3.00, 3.31 A)
 &rst
  ixpk= 1278, nxpk= 25, iat= 939,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           55 GLU  HG+         5.50    (#   1281:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   14 VAL  HN           55 GLU  HG+         5.50    (#   1282:25  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   55 GLU  HN           55 GLU  HG+         4.50    (#   1283:25  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   13 LYS  HA           55 GLU  HG+         5.50    (#   1284:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   14 VAL  HB           55 GLU  HG+         5.50    (#   1285:25  Preassigned    2.59, 3.52 A)
 &rst
  ixpk= 1285, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HG+         3.50    (#   1286:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 885, 886,
 igr2= 888, 889,
 &end
#
#   14 VAL  QG2          55 GLU  HG+         4.50    (#   1287:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206,
 igr2= 888, 889,
 &end
#
#   55 GLU  HN           55 GLU  HG-         5.50    (#   1288:25  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   13 LYS  HD+          55 GLU  HG-         5.50    (#   1289:25  Preassigned    4.90, 5.75 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 888, 889,
 &end
#
#   14 VAL  HN           55 GLU  HG-         4.50    (#   1290:25  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   13 LYS  HA           55 GLU  HG-         4.50    (#   1291:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 1291, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   55 GLU  HA           55 GLU  HG-         4.50    (#   1292:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 1292, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HG-         2.80    (#   1293:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 885, 886,
 igr2= 888, 889,
 &end
#
#   14 VAL  QG2          55 GLU  HG-         5.50    (#   1294:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 888, 889,
 &end
#
#   13 LYS  HB3          55 GLU  HG+         5.50    (#   1296:25  Preassigned    3.91, 4.05 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   11 LEU  QD+          53 LYS  HB3         5.50    (#   1297:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1298    53 LYS  HB3         4.50    (#   1298:25  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 941, 942, 943,1024,1025,1026,1028,1029,1030, 204,
       205, 206,
 &end
#
#   11 LEU  QD-          53 LYS  HB3         4.50    (#   1299:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HA           53 LYS  HB3         4.50    (#   1300:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 839, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB3          53 LYS  HB3         5.50    (#   1301:25  Preassigned    2.54, 2.64 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 908, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          53 LYS  HB3         5.50    (#   1302:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 907, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1303    53 LYS  HB3         3.50    (#   1303:25  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 844, 845, 133,
 &end
#
#   14 VAL  QG1          55 GLU  HG+         5.50    (#   1305:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 888, 889,
 &end
#
#   29 ALA  HN           40 ILE  HB          5.50    (#   1306:25  Preassigned    2.64, 2.74 A)
 &rst
  ixpk= 1306, nxpk= 25, iat= 422, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           40 ILE  HB          4.50    (#   1307:25  Preassigned    2.69, 2.75 A)
 &rst
  ixpk= 1307, nxpk= 25, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 PRO  HA           39 ILE  HB          5.50    (#   1308:25  Preassigned    4.68, 4.74 A)
 &rst
  ixpk= 1308, nxpk= 25, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           40 ILE  HB          5.50    (#   1309:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1309, nxpk= 25, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           40 ILE  HB          3.50    (#   1310:25  Preassigned    2.20, 3.30 A)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#   40 ILE  HG1-         40 ILE  HB          4.50    (#   1311:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#    0 AMB  25-3:1312    40 ILE  HB          2.80    (#   1312:25  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 634, 635, 636, 641, 642, 643,1024,1025,1026,1028,
      1029,1030,
 &end
#
#   11 LEU  QD+          40 ILE  HB          5.50    (#   1313:25  Preassigned    3.96, 5.89 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           53 LYS  HB2         5.50    (#   1314:25  Preassigned    3.30, 3.35 A)
 &rst
  ixpk= 1314, nxpk= 25, iat= 859, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG-          53 LYS  HB2         3.50    (#   1315:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   53 LYS  HA           53 LYS  HB2         5.50    (#   1316:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1316, nxpk= 25, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG+          53 LYS  HB2         3.50    (#   1318:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   11 LEU  QD-          53 LYS  HB2         4.50    (#   1319:25  Preassigned    2.34, 3.98 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HB           13 LYS  HB3         5.50    (#   1320:25  Unique         4.08, 4.51 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 436, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HB3         5.50    (#   1321:25  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 1321, nxpk= 25, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HB3         5.50    (#   1322:25  Preassigned    3.80, 3.90 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          13 LYS  HB3         5.50    (#   1323:25  Preassigned    2.47, 2.64 A)
 &rst
  ixpk= 1323, nxpk= 25, iat= 220, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HG-          13 LYS  HB3         4.50    (#   1325:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          13 LYS  HB3         4.50    (#   1326:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   30 ILE  HN           13 LYS  HB3         5.50    (#   1327:25  Preassigned    4.73, 4.87 A)
 &rst
  ixpk= 1327, nxpk= 25, iat= 432, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           13 LYS  HB3         4.50    (#   1328:25  Preassigned    2.48, 2.50 A)
 &rst
  ixpk= 1328, nxpk= 25, iat= 174, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           13 LYS  HB2         5.50    (#   1329:25  Preassigned    3.76, 3.85 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 432, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HB2         5.50    (#   1330:25  Preassigned    2.73, 2.88 A)
 &rst
  ixpk= 1330, nxpk= 25, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          13 LYS  HB2         5.50    (#   1331:25  Preassigned    3.27, 3.34 A)
 &rst
  ixpk= 1331, nxpk= 25, iat= 220, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           13 LYS  HB2         5.50    (#   1332:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HB2         5.50    (#   1333:25  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           13 LYS  HB2         4.50    (#   1334:25  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 1334, nxpk= 25, iat= 436, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HG1+         13 LYS  HB2         5.50    (#   1335:25  Preassigned    2.99, 3.84 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   13 LYS  HD-          13 LYS  HB2         5.50    (#   1337:25  Preassigned    2.51, 3.53 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HB2         4.50    (#   1338:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          13 LYS  HB2         4.50    (#   1339:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   35 BTL  HN3          37 GLU  HG+         5.50    (#   1340:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 1340, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   38 ILE  HN           37 GLU  HG+         5.50    (#   1341:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 1341, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HN           37 GLU  HG+         4.50    (#   1342:25  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 1342, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  HN3          37 GLU  HG+         5.50    (#   1343:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 1343, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   30 ILE  QG2          37 GLU  HG+         5.50    (#   1344:25  Preassigned    2.97, 6.26 A)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 587, 588,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#   1345:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  H5           37 GLU  HG+         5.50    (#   1346:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1346, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  QB           37 GLU  HG+         2.80    (#   1347:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   12 TRP  HZ3          37 GLU  HG+         5.50    (#   1348:25  Preassigned    2.19, 3.71 A)
 &rst
  ixpk= 1348, nxpk= 25, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   53 LYS  HN           53 LYS  HB3         5.50    (#   1349:25  Preassigned    3.85, 3.89 A)
 &rst
  ixpk= 1349, nxpk= 25, iat= 837, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          53 LYS  HB3         5.50    (#   1350:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1350, nxpk= 25, iat= 907, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HB3         4.50    (#   1351:25  Preassigned    2.15, 2.20 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 859, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           53 LYS  HB3         5.50    (#   1352:25  Preassigned    4.18, 4.50 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   53 LYS  HG-          53 LYS  HB3         4.50    (#   1353:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 844, 845,
 &end
#
#   35 BTL  H5           37 GLU  HG-         5.50    (#   1354:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1354, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   30 ILE  QG2          37 GLU  HG-         5.50    (#   1355:25  Preassigned    2.97, 6.26 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 587, 588,
 &end
#
#   38 ILE  HN           37 GLU  HG-         5.50    (#   1356:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 1356, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HN           37 GLU  HG-         5.50    (#   1357:25  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 1357, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#   1358:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  H63          37 GLU  HG-         5.50    (#   1359:25  Preassigned    2.52, 4.52 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  QB           37 GLU  HG-         2.80    (#   1361:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   35 BTL  H5           37 GLU  HG-         5.50    (#   1362:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#    5 ILE  QD1          53 LYS  HB2         5.50    (#   1363:25  Preassigned    4.04, 5.96 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  58,  59,  60,
 &end
#
#   53 LYS  HD-          53 LYS  HB2         5.50    (#   1364:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   65 LEU  QD+          53 LYS  HB2         4.50    (#   1365:25  Preassigned    2.44, 4.85 A)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HN           53 LYS  HB2         4.50    (#   1366:25  Preassigned    2.73, 2.80 A)
 &rst
  ixpk= 1366, nxpk= 25, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD+          53 LYS  HB2         5.50    (#   1367:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   35 BTL  HA           32 GLU  HG+         5.50    (#   1368:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 1368, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   12 TRP  HB2          32 GLU  HG+         5.50    (#   1369:25  Preassigned    4.44, 4.81 A)
 &rst
  ixpk= 1369, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1370     0 AMB  25-1:1370   5.50    (#   1370:25  Double Ambig)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 537, 540, 542,
 igr2= 477, 478, 477, 478, 477, 478,
 &end
#
#   35 BTL  HN           32 GLU  HG+         5.50    (#   1371:25  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 1371, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HG+         5.50    (#   1372:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 1372, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1373     0 AMB  25-1:1373   4.50    (#   1373:25  Double Ambig)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 545, 559,
 igr2= 477, 478, 477, 478,
 &end
#
#   32 GLU  HB3          32 GLU  HG+         2.80    (#   1374:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1374, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HG+         3.50    (#   1376:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   35 BTL  H92          32 GLU  HG+         5.50    (#   1377:25  Preassigned    4.24, 6.21 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   33 SER  HN           32 GLU  HG-         5.50    (#   1378:25  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HG-         4.50    (#   1379:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   35 BTL  HN           32 GLU  HG-         4.50    (#   1381:25  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   36 MET  HN           32 GLU  HG-         5.50    (#   1382:25  Preassigned    3.43, 4.36 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   35 BTL  HA           32 GLU  HG-         4.50    (#   1383:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 1383, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1384    32 GLU  HG-         5.50    (#   1384:25  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 545, 559,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB3          32 GLU  HG-         4.50    (#   1385:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HG-         3.50    (#   1386:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1386, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1387    32 GLU  HG-         5.50    (#   1387:25  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 537, 540, 542,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1388    50 GLU  HG-         5.50    (#   1388:25  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 801,
 igr2= 791, 792,
 &end
#
#   18 ALA  HN           17 LYS  QB          4.50    (#   1390:25  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 1390, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 247, 248,
 &end
#
#   17 LYS  HA           17 LYS  QB          2.80    (#   1391:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 1391, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 247, 248,
 &end
#
#   17 LYS  QE           17 LYS  QB          5.50    (#   1392:25  Preassigned    2.11, 3.24 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 247, 248,
 &end
#
#   17 LYS  HG+          17 LYS  QB          2.80    (#   1393:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   17 LYS  HG-          17 LYS  QB          2.80    (#   1394:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   17 LYS  HN           17 LYS  QB          4.50    (#   1395:25  Preassigned    2.77, 3.52 A)
 &rst
  ixpk= 1395, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 247, 248,
 &end
#
#    0 AMB  25-3:1397    17 LYS  QB          5.50    (#   1397:25  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 809, 810, 811, 237, 238, 239,
 igr2= 247, 248,
 &end
#
#   17 VAL  HB           16 LYS  QB          7.00    (#   1398:25  Preassigned    5.24, 5.73 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 247, 248,
 &end
#
#   51 VAL  HN           50 GLU  HG+         5.50    (#   1399:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG+         5.50    (#   1400:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#    0 AMB  25-3:1401     0 AMB  25-1:1401   5.50    (#   1401:25  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 269, 270, 271, 769, 770,
 igr2= 791, 792, 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG+         5.50    (#   1402:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 1402, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG+         5.50    (#   1404:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#   50 LYS  HD-          49 GLU  HG-         5.50    (#   1405:25  Unique         5.68, 7.12 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 772, 773,
 igr2= 791, 792,
 &end
#
#   52 LYS  HG-          50 GLU  HG-         5.50    (#   1406:25  Preassigned    3.75, 5.85 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2= 791, 792,
 &end
#
#   51 VAL  HN           50 GLU  HG-         5.50    (#   1407:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1407, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG-         5.50    (#   1408:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 1408, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HB3          50 GLU  HG-         3.50    (#   1410:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 1410, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG-         5.50    (#   1411:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#    0 AMB  25-3:1412    50 GLU  HG-         5.50    (#   1412:25  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 269, 270, 271, 769, 770,
 igr2= 791, 792,
 &end
#
#   57 ASP  HN           54 LYS  QB          5.50    (#   1413:25  Preassigned    5.11, 5.54 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   54 LYS  HA           53 LYS  QB          5.50    (#   1414:25  Preassigned    4.30, 5.07 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   55 GLU  HG+          54 LYS  QB          5.50    (#   1415:25  Preassigned    4.97, 6.23 A)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 863, 864,
 &end
#
#    0 AMB  25-3:1416    54 LYS  QB          5.50    (#   1416:25  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 803,
 igr2= 863, 864,
 &end
#
#   23 GLU  HB2          23 GLU  HG+         2.80    (#   1417:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 1417, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1418     0 AMB  25-1:1418   5.50    (#   1418:25  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 330, 374, 709, 720,
 igr2= 337, 338, 337, 338, 337, 338, 337, 338,
 &end
#
#   26 GLN  HG+          23 GLU  HG+         7.00    (#   1420:25  Preassigned    5.93, 7.46 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 381, 382,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1421     0 AMB  25-1:1421   2.80    (#   1421:25  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 335,1058,
 igr2= 337, 338, 337, 338,1060,1061,
 &end
#
#   67 GLU  HA           67 GLU  HG+         5.50    (#   1422:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#   67 GLU  HN           67 GLU  HG+         5.50    (#   1423:25  Preassigned    4.36, 4.67 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1425     0 AMB  25-1:1425   5.50    (#   1425:25  Double Ambig)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 772, 773, 766, 350,
 igr2=1060,1061,1060,1061, 337, 338,
 &end
#
#   49 LYS  HB3          67 GLU  HG+         5.50    (#   1426:25  Unique         2.22, 3.46 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1427     0 AMB  25-1:1427   5.50    (#   1427:25  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 822, 823, 321, 322,
 igr2=1060,1061, 337, 338, 337, 338,
 &end
#
#    0 AMB  25-3:1428    23 GLU  HG-         5.50    (#   1428:25  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 330, 374, 709, 720,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1430    67 GLU  HG-         5.50    (#   1430:25  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 775, 776, 828, 829,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1431     0 AMB  25-1:1431   5.50    (#   1431:25  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 987,  98,
 igr2= 972, 973, 972, 973,
 &end
#
#   62 GLY  HN           61 GLU  HG+         5.50    (#   1432:25  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 1432, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HN           61 GLU  HG+         5.50    (#   1433:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    7 MET  HA           61 GLU  HG+         5.50    (#   1434:25  Preassigned    3.66, 4.61 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    6 GLN  HA           61 GLU  HG+         5.50    (#   1435:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HA           61 GLU  HG+         5.50    (#   1436:25  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 1436, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HB3          61 GLU  HG+         2.80    (#   1437:25  Preassigned    2.51, 2.79 A)
 &rst
  ixpk= 1437, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 972, 973,
 &end
#
#   61 GLU  HN           61 GLU  HG-         4.50    (#   1438:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1438, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 972, 973,
 &end
#
#   49 LYS  HB3          67 GLU  HG-         5.50    (#   1439:25  Preassigned    2.22, 3.46 A)
 &rst
  ixpk= 1439, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#   52 LYS  HG+          67 GLU  HG-         5.50    (#   1440:25  Preassigned    5.10, 6.28 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2=1060,1061,
 &end
#
#   67 GLU  HA           67 GLU  HG-         5.50    (#   1442:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1443     0 AMB  25-1:1443   4.50    (#   1443:25  Double Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69, 791, 792,  85,  86,
 igr2= 972, 973,1060,1061,
 &end
#
#   62 GLY  HN           61 GLU  HG-         5.50    (#   1444:25  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 1444, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    6 GLN  HA           61 GLU  HG-         5.50    (#   1445:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HA           61 GLU  HG-         5.50    (#   1446:25  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 1446, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HB3          61 GLU  HG-         2.80    (#   1447:25  Preassigned    2.51, 2.79 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-3:1448    61 GLU  HG-         5.50    (#   1448:25  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 987,  98,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-3:1449     0 AMB  25-1:1449   5.50    (#   1449:25  Double Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  85,  86,  85,  86,
 &end
#
#    7 MET  HN            7 MET  HB+         5.50    (#   1450:25  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    8 ALA  HN            7 MET  HB+         5.50    (#   1451:25  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    7 MET  HA            7 MET  HB+         4.50    (#   1453:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1453, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  QG            7 MET  HB+         4.50    (#   1454:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1455     0 AMB  25-1:1455   5.50    (#   1455:25  Double Ambig)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 775, 776, 828, 829,
 igr2=1060,1061,1060,1061,
 &end
#
#    7 GLN  HG-           6 MET  HB-         5.50    (#   1456:25  Preassigned    2.65, 4.13 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1457     7 MET  HB-         5.50    (#   1457:25  Single Ambig)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  85,  86,
 &end
#
#    8 ALA  HN            7 MET  HB-         4.50    (#   1458:25  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  HA            7 MET  HB-         4.50    (#   1459:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  QG            7 MET  HB-         4.50    (#   1460:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1461     7 MET  HB-         5.50    (#   1461:25  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  85,  86,
 &end
#
#    7 MET  HN            7 MET  HB-         5.50    (#   1462:25  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 1462, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1463     7 MET  HB-         5.50    (#   1463:25  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 574, 575, 576, 972, 973,
 igr2=  85,  86,
 &end
#
#    7 MET  QE            7 MET  HB-         4.50    (#   1464:25  Preassigned    2.36, 4.68 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  92,  93,  94,
 igr2=  85,  86,
 &end
#
#   54 LYS  HG+          54 LYS  QB          2.80    (#   1465:25  Preassigned    2.29, 2.73 A)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 866, 867,
 igr2= 863, 864,
 &end
#
#   54 LYS  HN           54 LYS  QB          4.50    (#   1466:25  Preassigned    3.35, 3.69 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   55 GLU  HN           54 LYS  QB          4.50    (#   1467:25  Preassigned    2.37, 3.15 A)
 &rst
  ixpk= 1467, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   54 LYS  HA           54 LYS  QB          2.80    (#   1468:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1468, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 863, 864,
 &end
#
#   54 LYS  HG-          54 LYS  QB          3.50    (#   1469:25  Preassigned    2.29, 2.73 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 866, 867,
 igr2= 863, 864,
 &end
#
#   54 LYS  QE           54 LYS  QB          5.50    (#   1470:25  Preassigned    2.11, 4.29 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 863, 864,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.50    (#   1471:25  Preassigned    3.66, 3.69 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB2          16 VAL  HB          5.50    (#   1472:25  Preassigned    4.64, 4.97 A)
 &rst
  ixpk= 1472, nxpk= 25, iat= 286, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           16 VAL  HB          3.50    (#   1473:25  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 243, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1474    16 VAL  HB          7.00    (#   1474:25  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 805, 806, 807, 200, 201, 202,
 &end
#
#   16 VAL  QG1          16 VAL  HB          3.50    (#   1475:25  Preassigned    2.42, 2.64 A)
 &rst
  ixpk= 1475, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          16 VAL  HB          4.50    (#   1476:25  Preassigned    2.17, 3.33 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          16 VAL  HB          5.50    (#   1477:25  Preassigned    2.74, 3.92 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.50    (#   1478:25  Preassigned    3.66, 3.69 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HA           16 VAL  HB          5.50    (#   1479:25  Unique         4.03, 4.15 A)
 &rst
  ixpk= 1479, nxpk= 25, iat= 245, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          16 VAL  HB          4.50    (#   1480:25  Preassigned    3.47, 3.84 A)
 &rst
  ixpk= 1480, nxpk= 25, iat= 287, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1481    16 VAL  HB          2.80    (#   1481:25  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 237, 238, 239,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049, 809, 810, 811,
 &end
#
#    0 AMB  25-3:1482     0 AMB  25-1:1482   5.50    (#   1482:25  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  85,  86,  85,  86,
 &end
#
#   16 VAL  HA           16 VAL  HB          3.50    (#   1483:25  Preassigned    2.53, 2.58 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 229, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ALA  HA           59 VAL  HB          5.50    (#   1484:25  Preassigned    5.36, 5.42 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 100, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HN           59 VAL  HB          4.50    (#   1485:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 951, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           59 VAL  HB          5.50    (#   1486:25  Preassigned    4.69, 4.73 A)
 &rst
  ixpk= 1486, nxpk= 25, iat= 108, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HA           59 VAL  HB          3.50    (#   1487:25  Preassigned    2.53, 2.57 A)
 &rst
  ixpk= 1487, nxpk= 25, iat= 937, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HB3          59 VAL  HB          5.50    (#   1488:25  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 1488, nxpk= 25, iat= 992, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-         59 VAL  HB          5.50    (#   1489:25  Preassigned    2.15, 3.02 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2          59 VAL  HB          5.50    (#   1490:25  Preassigned    2.08, 3.23 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   59 VAL  QG1          59 VAL  HB          2.80    (#   1491:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 941, 942, 943,
 &end
#
#   59 VAL  QG2          59 VAL  HB          3.50    (#   1492:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  25-3:1493    59 VAL  HB          5.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   59 VAL  HN           59 VAL  HB          5.50    (#   1494:25  Preassigned    3.74, 3.77 A)
 &rst
  ixpk= 1494, nxpk= 25, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1+         36 MET  HB3         5.50    (#   1495:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   73 GLN  HB+          73 GLN  QG          2.80    (#   1496:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1141,1142,
 igr2=1144,1145,
 &end
#
#   36 MET  HG-          36 MET  HB2         4.50    (#   1497:25  Preassigned    2.49, 2.77 A)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  25-3:1498    36 MET  HB2         5.50    (#   1498:25  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 485, 580,
 &end
#
#   36 MET  HN           36 MET  HB2         4.50    (#   1499:25  Preassigned    2.48, 2.54 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HA           36 MET  HB2         4.50    (#   1500:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1500, nxpk= 25, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HB2         4.50    (#   1501:25  Preassigned    2.49, 2.77 A)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   38 ILE  HG1+         36 MET  HB2         5.50    (#   1503:25  Preassigned    3.36, 4.15 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          36 MET  HB2         4.50    (#   1504:25  Preassigned    2.96, 4.65 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   37 GLU  HN           36 MET  HB3         4.50    (#   1505:25  Preassigned    2.35, 2.62 A)
 &rst
  ixpk= 1505, nxpk= 25, iat= 580, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HA           36 MET  HB3         4.50    (#   1506:25  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 1506, nxpk= 25, iat= 565, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HB3         4.50    (#   1507:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HG-          36 MET  HB3         4.50    (#   1508:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HB3         5.50    (#   1510:25  Preassigned    3.64, 3.69 A)
 &rst
  ixpk= 1510, nxpk= 25, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          36 MET  HB3         5.50    (#   1511:25  Preassigned    3.46, 5.08 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HG1+         36 MET  HB3         5.50    (#   1512:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1512, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  HG1-         36 MET  HB3         5.50    (#   1513:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   50 GLU  HN           50 GLU  HB2         5.50    (#   1514:25  Preassigned    2.88, 3.17 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           50 GLU  HB2         4.50    (#   1515:25  Preassigned    2.54, 2.63 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 786, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1516    50 GLU  HB2         5.50    (#   1516:25  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 801, 817,
 &end
#
#   50 GLU  HG+          50 GLU  HB2         3.50    (#   1517:25  Preassigned    2.32, 2.75 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 792,
 &end
#
#   52 LYS  HG-          50 GLU  HB2         5.50    (#   1518:25  Preassigned    5.25, 6.33 A)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   51 VAL  HN           50 GLU  HB2         5.50    (#   1519:25  Preassigned    4.03, 4.16 A)
 &rst
  ixpk= 1519, nxpk= 25, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 LYS  HG-          49 GLU  HB2         5.50    (#   1521:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   27 GLU  HA           41 VAL  HB          5.50    (#   1522:25  Preassigned    3.65, 3.71 A)
 &rst
  ixpk= 1522, nxpk= 25, iat= 393, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1523    41 VAL  HB          7.00    (#   1523:25  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 396, 618, 619,
 &end
#
#    0 AMB  25-3:1524    41 VAL  HB          4.50    (#   1524:25  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 663, 647,
 &end
#
#   41 VAL  HA           41 VAL  HB          4.50    (#   1525:25  Preassigned    2.42, 2.43 A)
 &rst
  ixpk= 1525, nxpk= 25, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLY  HA+          41 VAL  HB          5.50    (#   1526:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA-          41 VAL  HB          5.50    (#   1527:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 1527, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   50 GLU  HA           50 GLU  HB3         4.50    (#   1528:25  Preassigned    2.97, 3.04 A)
 &rst
  ixpk= 1528, nxpk= 25, iat= 786, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LYS  HG-          49 GLU  HB3         5.50    (#   1529:25  Preassigned    3.63, 5.12 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   50 GLU  HG+          50 GLU  HB3         4.50    (#   1530:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   67 GLU  HG+          50 GLU  HB3         5.50    (#   1532:25  Preassigned    3.53, 4.74 A)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#   22 ILE  HN           21 GLN  HG-         5.50    (#   1533:25  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HG-         4.50    (#   1534:25  Preassigned    2.47, 3.45 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   21 GLN  QB           21 GLN  HG-         2.80    (#   1535:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   47 ILE  HG1+         21 GLN  HG-         5.50    (#   1536:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 1536, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 301, 302,
 &end
#
#   29 ALA  QB           14 VAL  HB          5.50    (#   1537:25  Unique         4.96, 5.81 A)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   22 ILE  HN           21 GLN  HG+         5.50    (#   1538:25  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HE21         21 GLN  HG+         5.50    (#   1539:25  Preassigned    2.30, 3.64 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HN           21 GLN  HG+         5.50    (#   1540:25  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  QB           21 GLN  HG+         2.80    (#   1541:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   47 ILE  QD1          21 GLN  HG+         5.50    (#   1542:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 740, 741, 742,
 igr2= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HG+         4.50    (#   1543:25  Preassigned    2.47, 3.45 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   47 ILE  HG1+         21 GLN  HG+         5.50    (#   1544:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 301, 302,
 &end
#
#   21 GLN  HN           21 GLN  HG-         5.50    (#   1545:25  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 1545, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   55 GLU  HG+          14 VAL  HB          5.50    (#   1546:25  Preassigned    2.59, 3.52 A)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   23 GLU  HB3          21 GLN  HG-         7.00    (#   1547:25  Preassigned    5.11, 6.42 A)
 &rst
  ixpk= 1547, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 301, 302,
 &end
#
#   23 GLU  HB3          21 GLN  HG+         7.00    (#   1548:25  Preassigned    5.11, 6.42 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 301, 302,
 &end
#
#   50 LYS  HG+          49 GLU  HB2         5.50    (#   1549:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#    0 AMB  25-3:1550    50 GLU  HB2         5.50    (#   1550:25  Single Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 767, 825, 826,
 &end
#
#    0 AMB  25-3:1551    50 GLU  HB2         5.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 772, 773, 766,
 &end
#
#   42 ALA  QB           41 VAL  HB          4.50    (#   1554:25  Preassigned    4.04, 4.96 A)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   41 VAL  QG1          41 VAL  HB          2.80    (#   1555:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 653, 654, 655,
 &end
#
#    0 AMB  25-3:1556    41 VAL  HB          7.00    (#   1556:25  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 412, 413, 414, 634, 635, 636,
 &end
#
#   25 GLY  HN           41 VAL  HB          5.50    (#   1557:25  Preassigned    3.25, 3.39 A)
 &rst
  ixpk= 1557, nxpk= 25, iat= 367, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-          50 GLU  HB3         5.50    (#   1559:25  Preassigned    3.58, 4.60 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   52 LYS  QD           50 GLU  HB3         4.50    (#   1560:25  Preassigned    2.51, 3.88 A)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 825, 826,
 &end
#
#   51 VAL  HN           50 GLU  HB3         5.50    (#   1561:25  Preassigned    3.22, 3.65 A)
 &rst
  ixpk= 1561, nxpk= 25, iat= 799, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           50 GLU  HB3         5.50    (#   1562:25  Preassigned    2.89, 3.03 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          49 LYS  HB2         2.80    (#   1563:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 769, 770,
 &end
#
#   49 LYS  HN           49 LYS  HB2         4.50    (#   1564:25  Preassigned    2.57, 2.75 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HB2         5.50    (#   1565:25  Preassigned    3.75, 3.87 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HB2         5.50    (#   1566:25  Preassigned    2.75, 3.26 A)
 &rst
  ixpk= 1566, nxpk= 25, iat=1089, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           49 LYS  HB2         5.50    (#   1567:25  Preassigned    3.54, 4.37 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   49 LYS  HG-          49 LYS  HB2         4.50    (#   1569:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   69 SER  HN           49 LYS  HB2         5.50    (#   1570:25  Preassigned    2.43, 2.94 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=1087, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           49 LYS  HB2         5.50    (#   1571:25  Preassigned    2.87, 3.21 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=1070, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HB2         4.50    (#   1572:25  Preassigned    2.45, 2.50 A)
 &rst
  ixpk= 1572, nxpk= 25, iat= 764, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 VAL  HA           48 LYS  HB2         5.50    (#   1573:25  Preassigned    4.10, 4.60 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 748, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           49 LYS  HB3         4.50    (#   1574:25  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 1574, nxpk= 25, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HB3         5.50    (#   1575:25  Preassigned    2.45, 2.57 A)
 &rst
  ixpk= 1575, nxpk= 25, iat= 784, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HB3         5.50    (#   1576:25  Preassigned    4.20, 4.64 A)
 &rst
  ixpk= 1576, nxpk= 25, iat=1089, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HB3         4.50    (#   1577:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 764, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           49 LYS  HB3         7.00    (#   1578:25  Preassigned    5.27, 6.05 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   67 GLU  HB2          49 LYS  HB3         5.50    (#   1579:25  Preassigned    4.52, 4.66 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=1057, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG-          49 LYS  HB3         3.50    (#   1581:25  Preassigned    2.43, 2.79 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 769, 770,
 &end
#
#    6 GLN  HN            6 GLN  HG+         5.50    (#   1582:25  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HG+         5.50    (#   1583:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    0 AMB  25-3:1585     0 AMB  25-1:1585   2.80    (#   1585:25  Double Ambig)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  69,  85,  86,
 igr2=  71,  72,  71,  72,
 &end
#
#    6 GLN  HE21          6 GLN  HG+         5.50    (#   1586:25  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HE22          6 GLN  HG+         5.50    (#   1587:25  Preassigned    2.22, 2.98 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HE21          6 GLN  HG-         5.50    (#   1588:25  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    7 MET  HN            6 GLN  HG-         5.50    (#   1589:25  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1589, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    0 AMB  25-3:1590     0 AMB  25-1:1590   5.50    (#   1590:25  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 307,  77,
 igr2= 301, 302,  71,  72,
 &end
#
#    6 GLN  HN            6 GLN  HG-         5.50    (#   1593:25  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HG-         4.50    (#   1594:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  71,  72,
 &end
#
#   14 LYS  HA           13 VAL  HB          5.50    (#   1595:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           14 VAL  HB          5.50    (#   1596:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG1          14 VAL  HB          2.80    (#   1597:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  QG2          14 VAL  HB          2.80    (#   1598:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 204, 205, 206,
 &end
#
#   14 VAL  HN           14 VAL  HB          4.50    (#   1599:25  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           14 VAL  HB          5.50    (#   1600:25  Preassigned    3.95, 3.99 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 210, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN            3 VAL  HB          5.50    (#   1601:25  Preassigned    2.77, 3.19 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=1034,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HA            3 VAL  HB          5.50    (#   1602:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  20,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG1           3 VAL  HB          3.50    (#   1603:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#   65 LEU  QD-           3 VAL  HB          5.50    (#   1604:25  Preassigned    2.75, 5.00 A)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   16 VAL  HN           15 HID  HB3         5.50    (#   1605:25  Preassigned    4.49, 4.51 A)
 &rst
  ixpk= 1605, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 VAL  HA           14 HID  HB3         5.50    (#   1606:25  Preassigned    5.43, 5.44 A)
 &rst
  ixpk= 1606, nxpk= 25, iat= 196, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          15 HID  HB3         5.50    (#   1607:25  Preassigned    4.63, 5.70 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG2          15 HID  HB3         5.50    (#   1608:25  Preassigned    5.49, 6.52 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 237, 238, 239,
 &end
#
#   15 HID  HN           15 HID  HB3         5.50    (#   1609:25  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 1609, nxpk= 25, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HB3         5.50    (#   1610:25  Preassigned    3.77, 3.79 A)
 &rst
  ixpk= 1610, nxpk= 25, iat= 223, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HB3         3.50    (#   1611:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 1611, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HA           15 HID  HB3         5.50    (#   1612:25  Preassigned    3.91, 3.99 A)
 &rst
  ixpk= 1612, nxpk= 25, iat= 408, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           15 HID  HB2         4.50    (#   1614:25  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 1614, nxpk= 25, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HN           15 HID  HB2         5.50    (#   1615:25  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 1615, nxpk= 25, iat= 227, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HB2         5.50    (#   1616:25  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 1616, nxpk= 25, iat= 223, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HB2         4.50    (#   1617:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1617, nxpk= 25, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           15 HID  HB2         5.50    (#   1618:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 1618, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          15 HID  HB2         5.50    (#   1620:25  Preassigned    3.70, 4.89 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   34 MET  QB           34 MET  HG+         3.50    (#   1622:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 500, 501,
 igr2= 503, 504,
 &end
#
#   39 PRO  HD-          39 PRO  HB+         5.50    (#   1623:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   40 ILE  HN           39 PRO  HB+         5.50    (#   1624:25  Unique         2.78, 3.39 A)
 &rst
  ixpk= 1624, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HA           39 PRO  HB+         3.50    (#   1625:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 1625, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD+          39 PRO  HB+         5.50    (#   1626:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG-          39 PRO  HB+         3.50    (#   1627:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG+          39 PRO  HB+         2.80    (#   1628:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   30 ILE  HB           39 PRO  HB+         7.00    (#   1630:25  Preassigned    6.10, 6.63 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:1631     0 AMB  25-1:1631   5.50    (#   1631:25  Double Ambig)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 442, 443, 438, 439, 440, 445, 446, 447,
 igr2= 621, 622, 621, 622, 621, 622,
 &end
#
#   30 ILE  HA           39 PRO  HB+         5.50    (#   1632:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   41 VAL  QG2          39 PRO  HB+         5.50    (#   1633:25  Preassigned    5.11, 6.89 A)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 621, 622,
 &end
#
#   26 GLN  HE22         26 GLN  HG+         5.50    (#   1634:25  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 1634, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HG+         4.50    (#   1635:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 1635, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           26 GLN  HG+         5.50    (#   1636:25  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HN           26 GLN  HG+         5.50    (#   1637:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1637, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE21         26 GLN  HG+         4.50    (#   1638:25  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 1638, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HB3          26 GLN  HG+         3.50    (#   1640:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1640, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 381, 382,
 &end
#
#   28 VAL  QG1          26 GLN  HG+         5.50    (#   1642:25  Preassigned    3.77, 5.58 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 413, 414,
 igr2= 381, 382,
 &end
#
#    0 AMB  25-3:1643    28 VAL  HB          5.50    (#   1643:25  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 229, 212,
 &end
#
#   28 VAL  HA           28 VAL  HB          3.50    (#   1644:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 1644, nxpk= 25, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  QG2          28 VAL  HB          2.80    (#   1645:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  25-3:1646    28 VAL  HB          3.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 &end
#
#    0 AMB  25-3:1647    28 VAL  HB          2.80    (#   1647:25  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 &end
#
#   29 ALA  QB           28 VAL  HB          5.50    (#   1648:25  Preassigned    4.22, 5.10 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   26 GLN  HN           26 GLN  HG-         5.50    (#   1649:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1649, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HG-         5.50    (#   1650:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 1650, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           26 GLN  HG-         5.50    (#   1651:25  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 1651, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HB3          26 GLN  HG-         2.80    (#   1652:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1652, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE21         26 GLN  HG-         4.50    (#   1653:25  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE22         26 GLN  HG-         5.50    (#   1654:25  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 1654, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#    0 AMB  25-3:1657    23 GLU  HB2         5.50    (#   1657:25  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 345, 720, 374,
 &end
#
#    0 AMB  25-3:1659    23 GLU  HB2         2.80    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 337, 338, 337, 338,
 &end
#
#   68 LEU  QD1          44 ARG  HB+         5.50    (#   1660:25  Preassigned    2.33, 5.04 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 689, 690,
 &end
#
#   44 ARG  HN           44 ARG  HB+         5.50    (#   1661:25  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   45 SER  HN           44 ARG  HB+         5.50    (#   1662:25  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 1662, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   44 ARG  HA           44 ARG  HB+         3.50    (#   1663:25  Preassigned    2.28, 2.51 A)
 &rst
  ixpk= 1663, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 689, 690,
 &end
#
#   44 ARG  QD           44 ARG  HB+         4.50    (#   1664:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG+          44 ARG  HB+         3.50    (#   1666:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG-          44 ARG  HB+         4.50    (#   1667:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   64 VAL  HN           64 VAL  HB          4.50    (#   1668:25  Preassigned    3.59, 3.60 A)
 &rst
  ixpk= 1668, nxpk= 25, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HG+          64 VAL  HB          5.50    (#   1670:25  Preassigned    2.20, 3.07 A)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   64 VAL  QG2          64 VAL  HB          2.80    (#   1671:25  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1009,1010,1011,
 &end
#
#   64 VAL  QG1          64 VAL  HB          2.80    (#   1672:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1005,1006,1007,
 &end
#
#   64 VAL  HA           64 VAL  HB          5.50    (#   1673:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2          44 ARG  HB+         5.50    (#   1674:25  Preassigned    2.56, 6.25 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2= 689, 690,
 &end
#
#   40 ILE  HN           39 PRO  HB-         5.50    (#   1675:25  Unique         2.78, 3.39 A)
 &rst
  ixpk= 1675, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HA           39 PRO  HB-         4.50    (#   1676:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD+          39 PRO  HB-         5.50    (#   1677:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG-          39 PRO  HB-         3.50    (#   1678:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   41 VAL  HA           39 PRO  HB-         5.50    (#   1679:25  Preassigned    5.07, 6.02 A)
 &rst
  ixpk= 1679, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD-          39 PRO  HB-         4.50    (#   1680:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   27 GLU  HG+          39 PRO  HB-         4.50    (#   1682:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 398, 399,
 igr2= 621, 622,
 &end
#
#   41 VAL  QG2          39 PRO  HB-         3.50    (#   1683:25  Preassigned    5.11, 6.89 A)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 657, 658, 659,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG+          39 PRO  HB-         2.80    (#   1684:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:1686     0 AMB  25-1:1686   2.80    (#   1686:25  Double Ambig)
 &rst
  ixpk= 1686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 337, 338, 337, 338,1060,1061, 378,
 igr2= 335,1058,
 &end
#
#    0 AMB  25-3:1688     0 AMB  25-1:1688   3.50    (#   1688:25  Double Ambig)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 709, 330,
 igr2= 689, 690, 335,
 &end
#
#   44 ARG  QD           44 ARG  HB-         5.50    (#   1689:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 695, 696,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG-          44 ARG  HB-         4.50    (#   1690:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   68 LEU  QD1          44 ARG  HB-         5.50    (#   1691:25  Preassigned    2.33, 5.04 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 689, 690,
 &end
#
#   44 ARG  HA           44 ARG  HB-         4.50    (#   1692:25  Preassigned    2.28, 2.51 A)
 &rst
  ixpk= 1692, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#   44 ARG  HN           44 ARG  HB-         5.50    (#   1694:25  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 1694, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   34 MET  HN           34 MET  HG+         5.50    (#   1695:25  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 1695, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#    0 AMB  25-3:1696     0 AMB  25-1:1696   5.50    (#   1696:25  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 498, 110, 111,
 igr2= 503, 504, 503, 504,
 &end
#
#    0 AMB  25-3:1698    34 MET  HG-         5.50    (#   1698:25  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 498, 110, 111,
 igr2= 503, 504,
 &end
#
#   34 MET  QB           34 MET  HG-         2.80    (#   1700:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 500, 501,
 igr2= 503, 504,
 &end
#
#   34 MET  HN           34 MET  HG-         5.50    (#   1701:25  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#   67 GLU  HA           67 GLU  HB2         4.50    (#   1703:25  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=1055,1057, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           67 GLU  HB2         5.50    (#   1704:25  Preassigned    3.97, 4.17 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=1068,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           67 GLU  HB2         5.50    (#   1705:25  Preassigned    2.98, 3.20 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=1053,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           67 GLU  HB2         5.50    (#   1706:25  Preassigned    4.14, 4.60 A)
 &rst
  ixpk= 1706, nxpk= 25, iat= 784,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HG+          67 GLU  HB2         2.80    (#   1707:25  Preassigned    2.42, 2.75 A)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1060,1061,
 &end
#
#   52 LYS  HN            0 AMB  25-1:1708   5.50    (#   1708:25  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 820,1057,
 &end
#
#   52 LYS  HE-           0 AMB  25-1:1709   5.50    (#   1709:25  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:1711     0 AMB  25-1:1711   4.50    (#   1711:25  Double Ambig)
 &rst
  ixpk= 1711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 847, 848, 772, 773, 766,
 igr2= 820,1057,
 &end
#
#   52 LYS  QD            0 AMB  25-1:1712   3.50    (#   1712:25  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:1713     0 AMB  25-1:1713   3.50    (#   1713:25  Double Ambig)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 822, 823, 822, 823,
 igr2= 820,1057,
 &end
#
#   52 LYS  HA           52 LYS  HB3         3.50    (#   1714:25  Preassigned    2.42, 2.47 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 817, 820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1715     0 AMB  25-1:1715   5.50    (#   1715:25  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 828, 829, 828, 829,
 igr2=1057, 820,
 &end
#
#   52 LYS  HN           52 LYS  HB2         4.50    (#   1716:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 1716, nxpk= 25, iat= 815, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HB2         5.50    (#   1717:25  Preassigned    3.28, 3.60 A)
 &rst
  ixpk= 1717, nxpk= 25, iat= 837, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1718     0 AMB  25-1:1718   3.50    (#   1718:25  Double Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 822, 823, 822, 823,
 igr2= 819,1058,
 &end
#
#    0 AMB  25-3:1719     0 AMB  25-1:1719   5.50    (#   1719:25  Double Ambig)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2= 819,1058,
 &end
#
#    0 AMB  25-3:1720    52 LYS  HB2         4.50    (#   1720:25  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 817, 801,
 &end
#
#    0 AMB  25-3:1721     0 AMB  25-1:1721   4.50    (#   1721:25  Double Ambig)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1005,1006,1007,1043,1044,1045,1047,1048,1049,
 igr2= 819,1058,
 &end
#
#   67 GLU  HN           67 GLU  HB3         4.50    (#   1722:25  Preassigned    2.60, 2.76 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           67 GLU  HB3         5.50    (#   1723:25  Preassigned    2.58, 3.02 A)
 &rst
  ixpk= 1723, nxpk= 25, iat= 784,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           67 GLU  HB3         5.50    (#   1724:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=1055,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HE-          67 GLU  HB3         5.50    (#   1725:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#   68 LEU  HN           67 GLU  HB3         5.50    (#   1727:25  Preassigned    3.87, 4.02 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=1068,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1728    24 LYS  HB3         3.50    (#   1728:25  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 345, 709,
 &end
#
#   24 LYS  HA           24 LYS  HB3         4.50    (#   1730:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1730, nxpk= 25, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           24 LYS  HB3         3.50    (#   1732:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#   25 GLY  HN           24 LYS  HB3         5.50    (#   1733:25  Preassigned    4.13, 4.25 A)
 &rst
  ixpk= 1733, nxpk= 25, iat= 367, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-           0 AMB  25-1:1734   4.50    (#   1734:25  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,
 igr2= 820,1057,
 &end
#
#   25 GLY  HN           24 LYS  HB2         5.50    (#   1736:25  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1736, nxpk= 25, iat= 367, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1738    24 LYS  HB2         4.50    (#   1738:25  Single Ambig)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 345, 709,
 &end
#
#   44 ARG  HA           24 LYS  HB2         4.50    (#   1739:25  Preassigned    2.21, 2.59 A)
 &rst
  ixpk= 1739, nxpk= 25, iat= 687, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           24 LYS  HB2         4.50    (#   1740:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 1740, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           24 LYS  HB2         2.80    (#   1742:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 352, 353,
 &end
#
#   37 GLU  HN           36 MET  HG+         5.50    (#   1744:25  Preassigned    4.16, 4.65 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HG+         5.50    (#   1745:25  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1745, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HA           36 MET  HG+         5.50    (#   1746:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-3:1747     0 AMB  25-1:1747   4.50    (#   1747:25  Double Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 567, 517,
 igr2= 570, 571, 570, 571,
 &end
#
#   36 MET  HB3          36 MET  HG+         4.50    (#   1748:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1748, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#   38 ILE  QD1          36 MET  HG+         5.50    (#   1750:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 570, 571,
 &end
#
#   36 MET  HA           36 MET  HG-         4.50    (#   1751:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 1751, nxpk= 25, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#   38 ILE  QD1          36 MET  HG-         5.50    (#   1752:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 570, 571,
 &end
#
#   37 GLU  HN           36 MET  HG-         5.50    (#   1753:25  Preassigned    4.16, 4.65 A)
 &rst
  ixpk= 1753, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HG-         5.50    (#   1754:25  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1754, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HB3          36 MET  HG-         4.50    (#   1755:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1755, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-3:1756    48 VAL  HB          5.50    (#   1756:25  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 296,
 &end
#
#   19 GLY  HN           48 VAL  HB          4.50    (#   1757:25  Preassigned    2.73, 2.96 A)
 &rst
  ixpk= 1757, nxpk= 25, iat= 275, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           48 VAL  HB          4.50    (#   1758:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 1758, nxpk= 25, iat= 282, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HA           48 VAL  HB          3.50    (#   1759:25  Preassigned    2.83, 3.07 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 267, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG1          48 VAL  HB          2.80    (#   1760:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 752, 753, 754,
 &end
#
#   48 VAL  QG2          48 VAL  HB          3.50    (#   1761:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  HN           48 VAL  HB          4.50    (#   1762:25  Preassigned    2.36, 2.41 A)
 &rst
  ixpk= 1762, nxpk= 25, iat= 746, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           51 VAL  HB          4.50    (#   1764:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1764, nxpk= 25, iat= 801, 803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB3          32 GLU  HB3         5.50    (#   1765:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 1765, nxpk= 25, iat= 153, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  QB           48 VAL  HB          5.50    (#   1766:25  Unique         5.19, 5.60 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   12 TRP  HB2          32 GLU  HB3         5.50    (#   1767:25  Preassigned    2.65, 2.79 A)
 &rst
  ixpk= 1767, nxpk= 25, iat= 152, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           32 GLU  HB3         4.50    (#   1769:25  Preassigned    2.30, 2.32 A)
 &rst
  ixpk= 1769, nxpk= 25, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1770    32 GLU  HB3         5.50    (#   1770:25  Single Ambig)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 115,
 &end
#
#    10 ASN  HB2          32 GLU  HB3         4.50    (#   1771:25  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 119, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1772    32 GLU  HB3         4.50    (#   1772:25  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 120, 545,
 &end
#
#   32 GLU  HG-          32 GLU  HB3         4.50    (#   1773:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HB3         4.50    (#   1774:25  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 1774, nxpk= 25, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HN           51 VAL  HB          4.50    (#   1776:25  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           50 VAL  HB          5.50    (#   1777:25  Preassigned    4.70, 4.88 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 786, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  QG1          51 VAL  HB          2.80    (#   1778:25  Preassigned    2.39, 2.67 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 805, 806, 807,
 &end
#
#   51 VAL  QG2          51 VAL  HB          2.80    (#   1779:25  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 809, 810, 811,
 &end
#
#   35 BTL  HZ1          35 BTL  HD+         5.50    (#   1780:25  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   32 GLU  HN           32 GLU  HB2         4.50    (#   1781:25  Preassigned    3.03, 3.06 A)
 &rst
  ixpk= 1781, nxpk= 25, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1782    32 GLU  HB2         5.50    (#   1782:25  Single Ambig)
 &rst
  ixpk= 1782, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 115,
 &end
#
#   32 GLU  HA           32 GLU  HB2         4.50    (#   1783:25  Preassigned    2.41, 2.42 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          32 GLU  HB2         5.50    (#   1784:25  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 1784, nxpk= 25, iat= 152, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          32 GLU  HB2         5.50    (#   1785:25  Preassigned    3.85, 3.95 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 153, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1786    32 GLU  HB2         5.50    (#   1786:25  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 545,
 &end
#
#   32 GLU  HG+          32 GLU  HB2         3.50    (#   1788:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG-          32 GLU  HB2         3.50    (#   1789:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   35 BTL  H92           0 AMB  25-1:1790   5.50    (#   1790:25  Single Ambig)
 &rst
  ixpk= 1790, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 523, 524, 474,
 &end
#
#    0 AMB  25-3:1792    12 TRP  HB2         5.50    (#   1792:25  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 436, 134,
 &end
#
#   32 GLU  HN           12 TRP  HB2         5.50    (#   1793:25  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 470, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           12 TRP  HB3         5.50    (#   1794:25  Preassigned    2.50, 2.84 A)
 &rst
  ixpk= 1794, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  QB            7 MET  QG          5.50    (#   1795:25  Preassigned    3.66, 5.88 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2=  88,  89,
 &end
#
#    8 ALA  HN            7 MET  QG          5.50    (#   1796:25  Preassigned    2.32, 3.55 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  HN            7 MET  QG          5.50    (#   1797:25  Preassigned    4.34, 4.70 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  HA            7 MET  QG          5.50    (#   1798:25  Preassigned    2.41, 3.35 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#   33 SER  HB3           7 MET  QG          5.50    (#   1799:25  Preassigned    3.13, 4.19 A)
 &rst
  ixpk= 1799, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 GLN  HG+           6 MET  QG          4.50    (#   1800:25  Preassigned    3.81, 5.63 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,
 igr2=  88,  89,
 &end
#
#   36 MET  HB2           7 MET  QG          5.50    (#   1802:25  Unique         5.48, 6.32 A)
 &rst
  ixpk= 1802, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  QE            7 MET  QG          5.50    (#   1803:25  Preassigned    2.44, 3.35 A)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  92,  93,  94,
 igr2=  88,  89,
 &end
#
#    7 MET  HB+           7 MET  QG          4.50    (#   1804:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    7 MET  HB-           7 MET  QG          4.50    (#   1805:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#   38 ILE  QD1           7 MET  QG          5.50    (#   1806:25  Preassigned    2.30, 3.41 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-3:1807     7 MET  QG          4.50    (#   1807:25  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  88,  89,
 &end
#
#   35 BTL  HB3          35 BTL  HD-         4.50    (#   1808:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1808, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HA           35 BTL  HD+         5.50    (#   1809:25  Preassigned    2.29, 4.27 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE-          35 BTL  HD+         4.50    (#   1810:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE+          35 BTL  HD+         4.50    (#   1811:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB2          35 BTL  HD+         4.50    (#   1812:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1812, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HD+         2.80    (#   1813:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
#    0 AMB  25-3:1814     0 AMB  25-1:1814   3.50    (#   1814:25  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 520, 521, 540,
 igr2= 523, 524, 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HD+         5.50    (#   1815:25  Preassigned    2.75, 4.86 A)
 &rst
  ixpk= 1815, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HZ1          35 BTL  HD-         5.50    (#   1816:25  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 1816, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#    0 AMB  25-3:1817    35 BTL  HD-         2.80    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 520, 521, 540,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE-          35 BTL  HD-         4.50    (#   1818:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE+          35 BTL  HD-         4.50    (#   1819:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB2          35 BTL  HD-         4.50    (#   1820:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1820, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HD-         2.80    (#   1821:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HD-         5.50    (#   1822:25  Preassigned    2.75, 4.86 A)
 &rst
  ixpk= 1822, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HA           35 BTL  HD-         5.50    (#   1823:25  Preassigned    2.29, 4.27 A)
 &rst
  ixpk= 1823, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB3          35 BTL  HD+         4.50    (#   1824:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1824, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  H92          35 BTL  HD-         5.50    (#   1825:25  Preassigned    4.32, 5.67 A)
 &rst
  ixpk= 1825, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   13 LYS  HN           12 TRP  HB2         5.50    (#   1826:25  Preassigned    3.87, 4.00 A)
 &rst
  ixpk= 1826, nxpk= 25, iat= 172, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           12 TRP  HB2         4.50    (#   1827:25  Preassigned    2.30, 2.36 A)
 &rst
  ixpk= 1827, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HB2         5.50    (#   1828:25  Preassigned    2.93, 3.01 A)
 &rst
  ixpk= 1828, nxpk= 25, iat= 167, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HB2         5.50    (#   1829:25  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 1829, nxpk= 25, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HB2         4.50    (#   1830:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 1830, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          12 TRP  HB2         5.50    (#   1832:25  Preassigned    2.65, 2.79 A)
 &rst
  ixpk= 1832, nxpk= 25, iat= 475, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  QG2          12 TRP  HB2         5.50    (#   1833:25  Preassigned    3.40, 5.00 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   32 GLU  HB2          12 TRP  HB2         5.50    (#   1834:25  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 1834, nxpk= 25, iat= 474, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           12 TRP  HB3         4.50    (#   1836:25  Preassigned    2.40, 2.50 A)
 &rst
  ixpk= 1836, nxpk= 25, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           12 TRP  HB3         4.50    (#   1837:25  Preassigned    2.49, 2.62 A)
 &rst
  ixpk= 1837, nxpk= 25, iat= 172, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HB3         5.50    (#   1838:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 1838, nxpk= 25, iat= 167, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HB3         5.50    (#   1839:25  Preassigned    3.62, 3.71 A)
 &rst
  ixpk= 1839, nxpk= 25, iat= 156, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HB3         4.50    (#   1840:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1840, nxpk= 25, iat= 150, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB2          12 TRP  HB3         5.50    (#   1842:25  Preassigned    3.85, 3.95 A)
 &rst
  ixpk= 1842, nxpk= 25, iat= 474, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  QG2          12 TRP  HB3         5.50    (#   1843:25  Preassigned    2.45, 3.73 A)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   30 ILE  HB           12 TRP  HB3         5.50    (#   1844:25  Preassigned    2.50, 2.84 A)
 &rst
  ixpk= 1844, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           26 GLN  HB2         7.00    (#   1845:25  Preassigned    5.55, 5.59 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 651, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1846    26 GLN  HB2         3.50    (#   1846:25  Single Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 374, 330,
 &end
#
#   26 GLN  HA           26 GLN  HB2         4.50    (#   1847:25  Preassigned    2.51, 2.57 A)
 &rst
  ixpk= 1847, nxpk= 25, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HB3          26 GLN  HB2         5.50    (#   1849:25  Preassigned    2.57, 2.88 A)
 &rst
  ixpk= 1849, nxpk= 25, iat= 335, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HN           73 GLN  HB-         5.50    (#   1851:25  Preassigned    2.33, 3.40 A)
 &rst
  ixpk= 1851, nxpk= 25, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1141,1142,
 &end
#
#   15 HID  HD2          27 GLU  HB2         5.50    (#   1852:25  Preassigned    5.60, 5.68 A)
 &rst
  ixpk= 1852, nxpk= 25, iat= 223, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  QG1          27 GLU  HB2         5.50    (#   1854:25  Unique         3.05, 4.09 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 655,
 &end
#
#   27 GLU  HA           27 GLU  HB2         4.50    (#   1855:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 1855, nxpk= 25, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG+          27 GLU  HB2         2.80    (#   1856:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HB2         5.50    (#   1857:25  Preassigned    4.31, 4.35 A)
 &rst
  ixpk= 1857, nxpk= 25, iat= 406, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           27 GLU  HB2         4.50    (#   1858:25  Preassigned    2.46, 2.48 A)
 &rst
  ixpk= 1858, nxpk= 25, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HE21         26 GLN  HB2         5.50    (#   1859:25  Preassigned    4.45, 4.83 A)
 &rst
  ixpk= 1859, nxpk= 25, iat= 386, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           27 GLU  HB3         4.50    (#   1860:25  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 1860, nxpk= 25, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HN           27 GLU  HB3         5.50    (#   1861:25  Preassigned    4.22, 4.29 A)
 &rst
  ixpk= 1861, nxpk= 25, iat= 406, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HG+          27 GLU  HB3         4.50    (#   1862:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HB3         4.50    (#   1863:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1863, nxpk= 25, iat= 393, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HA           73 GLN  HB+         5.50    (#   1864:25  Preassigned    2.37, 2.70 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1141,1142,
 &end
#
#    0 AMB  25-3:1865    27 GLU  HB3         5.50    (#   1865:25  Single Ambig)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 621, 622, 651,
 &end
#
#   15 HID  HD2          27 GLU  HB3         5.50    (#   1866:25  Preassigned    4.82, 4.88 A)
 &rst
  ixpk= 1866, nxpk= 25, iat= 223, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  QG           73 GLN  HB+         2.80    (#   1867:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1144,1145,
 igr2=1141,1142,
 &end
#
#   22 ILE  QG2          26 GLN  HB3         5.50    (#   1869:25  Preassigned    4.17, 4.95 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   26 GLN  HN           26 GLN  HB3         3.50    (#   1870:25  Preassigned    2.44, 2.52 A)
 &rst
  ixpk= 1870, nxpk= 25, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HA           26 GLN  HB3         4.50    (#   1871:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1871, nxpk= 25, iat= 376, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HB3          26 GLN  HB3         5.50    (#   1873:25  Preassigned    3.91, 4.19 A)
 &rst
  ixpk= 1873, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          26 GLN  HB3         5.50    (#   1874:25  Preassigned    5.27, 6.16 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   26 GLN  HG+          26 GLN  HB3         3.50    (#   1875:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   42 ALA  QB           26 GLN  HB3         5.50    (#   1876:25  Preassigned    2.94, 3.61 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 667, 668, 669,
 &end
#
#   37 GLU  HA           37 GLU  QB          3.50    (#   1878:25  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 1878, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  QB          2.80    (#   1879:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   38 ILE  HN           37 GLU  QB          5.50    (#   1880:25  Preassigned    3.10, 3.86 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   37 GLU  HN           37 GLU  QB          3.50    (#   1881:25  Preassigned    2.28, 3.27 A)
 &rst
  ixpk= 1881, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   37 GLU  HG+          37 GLU  QB          2.80    (#   1882:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   30 ILE  QG2          37 GLU  QB          4.50    (#   1883:25  Preassigned    3.77, 5.15 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 438, 439, 440,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:1886    24 LYS  QD          5.50    (#   1886:25  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 345,
 igr2= 355, 356,
 &end
#
#   24 LYS  HA           24 LYS  QD          5.50    (#   1887:25  Preassigned    4.11, 4.59 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 355, 356,
 &end
#
#   24 LYS  QE           24 LYS  QD          2.80    (#   1888:25  Preassigned    2.27, 2.68 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 358, 359,
 igr2= 355, 356,
 &end
#
#   24 LYS  QG           24 LYS  QD          2.80    (#   1889:25  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 352, 353,
 igr2= 355, 356,
 &end
#
#   34 MET  HA           34 MET  QB          3.50    (#   1890:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 500, 501,
 &end
#
#   34 MET  HG+          34 MET  QB          3.50    (#   1891:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 503, 504,
 igr2= 500, 501,
 &end
#
#   34 MET  HG-          34 MET  QB          3.50    (#   1892:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 503, 504,
 igr2= 500, 501,
 &end
#
#   34 MET  HN           34 MET  QB          5.50    (#   1893:25  Preassigned    3.50, 3.82 A)
 &rst
  ixpk= 1893, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   36 MET  HN           34 MET  QB          5.50    (#   1894:25  Preassigned    4.18, 4.86 A)
 &rst
  ixpk= 1894, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   35 BTL  HN            0 AMB  25-1:1895   5.50    (#   1895:25  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 517, 500, 501,
 &end
#
#   36 MET  HN           35 BTL  HB2         5.50    (#   1896:25  Preassigned    3.97, 4.15 A)
 &rst
  ixpk= 1896, nxpk= 25, iat= 563, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HD-          35 BTL  HB2         4.50    (#   1897:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HB2         4.50    (#   1898:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HB2         4.50    (#   1899:25  Preassigned    2.58, 2.97 A)
 &rst
  ixpk= 1899, nxpk= 25, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HG-          35 BTL  HB2         4.50    (#   1901:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   22 ILE  HN           21 GLN  QB          5.50    (#   1903:25  Preassigned    4.06, 4.20 A)
 &rst
  ixpk= 1903, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   21 GLN  HG+          21 GLN  QB          2.80    (#   1904:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 301, 302,
 igr2= 298, 299,
 &end
#
#   47 ILE  HG1+         21 GLN  QB          5.50    (#   1905:25  Preassigned    2.89, 5.21 A)
 &rst
  ixpk= 1905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 298, 299,
 &end
#
#   21 GLN  HN           21 GLN  QB          3.50    (#   1906:25  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 1906, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   21 GLN  HA           21 GLN  QB          2.80    (#   1907:25  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1907, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 298, 299,
 &end
#
#   21 ASP  HA           20 GLN  QB          5.50    (#   1908:25  Preassigned    4.08, 4.56 A)
 &rst
  ixpk= 1908, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   35 BTL  HA           35 BTL  HB3         3.50    (#   1910:25  Preassigned    2.37, 2.49 A)
 &rst
  ixpk= 1910, nxpk= 25, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1911    35 BTL  HB3         4.50    (#   1911:25  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 520, 521, 540,
 &end
#
#   35 BTL  HD+          35 BTL  HB3         4.50    (#   1913:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HB3         4.50    (#   1914:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  H82          35 BTL  HB3         5.50    (#   1915:25  Preassigned    4.38, 4.82 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HD-         5.50    (#   1916:25  Preassigned    4.35, 4.63 A)
 &rst
  ixpk= 1916, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   69 SER  QB           49 LYS  HD-         5.50    (#   1917:25  Preassigned    4.07, 6.41 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1091,1092,
 igr2= 772, 773,
 &end
#
#    0 AMB  25-3:1918     0 AMB  25-1:1918   4.50    (#   1918:25  Double Ambig)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1089, 687,
 igr2= 772, 773, 355, 356,
 &end
#
#   67 GLU  HA           49 LYS  HD-         5.50    (#   1919:25  Preassigned    5.09, 6.19 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  HA           49 LYS  HD+         5.50    (#   1920:25  Preassigned    4.35, 4.63 A)
 &rst
  ixpk= 1920, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  QE           49 LYS  HD+         4.50    (#   1921:25  Preassigned    2.34, 2.69 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776,
 igr2= 772, 773,
 &end
#
#   50 GLU  HB3          49 LYS  HD+         5.50    (#   1922:25  Preassigned    4.25, 5.39 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  HG+          49 LYS  HD+         2.80    (#   1923:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 769, 770,
 igr2= 772, 773,
 &end
#
#   49 LYS  HG-          49 LYS  HD+         3.50    (#   1924:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 769, 770,
 igr2= 772, 773,
 &end
#
#   69 SER  HA           49 LYS  HD+         5.50    (#   1925:25  Preassigned    2.43, 4.56 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#    6 GLN  HN            6 GLN  HB2         5.50    (#   1927:25  Preassigned    3.74, 3.78 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  64,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA            6 GLN  HB2         4.50    (#   1928:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  66,  68, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HG+           6 GLN  HB2         2.80    (#   1929:25  Preassigned    2.40, 2.54 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  71,  72,
 &end
#
#    6 ILE  HA            5 GLN  HB2         5.50    (#   1930:25  Preassigned    5.41, 5.45 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  47,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QD1          21 GLN  QB          4.50    (#   1931:25  Preassigned    2.50, 4.71 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 740, 741, 742,
 igr2= 298, 299,
 &end
#
#   22 ILE  HN           21 GLN  QB          5.50    (#   1932:25  Preassigned    4.06, 4.20 A)
 &rst
  ixpk= 1932, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#    6 GLN  HN            6 GLN  HB3         4.50    (#   1933:25  Preassigned    2.91, 2.98 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  64,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HA            6 GLN  HB3         4.50    (#   1934:25  Preassigned    2.46, 2.49 A)
 &rst
  ixpk= 1934, nxpk= 25, iat=  66,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HA            5 GLN  HB3         5.50    (#   1935:25  Preassigned    3.97, 4.03 A)
 &rst
  ixpk= 1935, nxpk= 25, iat=  47,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HB3         3.50    (#   1936:25  Preassigned    2.45, 2.79 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    7 MET  HN            6 GLN  HB3         5.50    (#   1938:25  Preassigned    4.40, 4.46 A)
 &rst
  ixpk= 1938, nxpk= 25, iat=  81,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HN           61 GLU  HB2         4.50    (#   1939:25  Preassigned    2.35, 2.43 A)
 &rst
  ixpk= 1939, nxpk= 25, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HA           60 GLU  HB3         5.50    (#   1940:25  Preassigned    4.93, 4.99 A)
 &rst
  ixpk= 1940, nxpk= 25, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1941    61 GLU  HB3         5.50    (#   1941:25  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 987,
 &end
#
#   13 LYS  HA           55 GLU  QB          4.50    (#   1942:25  Unique         2.09, 3.71 A)
 &rst
  ixpk= 1942, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 885, 886,
 &end
#
#    6 GLN  HA           61 GLU  HB3         5.50    (#   1943:25  Preassigned    4.98, 5.16 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=  66, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1944     0 AMB  25-1:1944   4.50    (#   1944:25  Double Ambig)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 526, 527, 967,
 igr2= 518, 970,
 &end
#
#   56 GLY  HN           55 GLU  QB          5.50    (#   1945:25  Preassigned    2.76, 3.85 A)
 &rst
  ixpk= 1945, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 885, 886,
 &end
#
#   62 GLY  HN           61 GLU  HB3         5.50    (#   1946:25  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 980, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1947     0 AMB  25-1:1947   2.80    (#   1947:25  Double Ambig)
 &rst
  ixpk= 1947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 965, 881,
 igr2= 970, 885, 886,
 &end
#
#   55 GLU  HG+          55 GLU  QB          3.50    (#   1948:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 888, 889,
 igr2= 885, 886,
 &end
#
#   55 GLU  HG-          55 GLU  QB          2.80    (#   1949:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 888, 889,
 igr2= 885, 886,
 &end
#
#   14 VAL  HN           55 GLU  QB          5.50    (#   1951:25  Unique         2.52, 4.72 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 885, 886,
 &end
#
#   55 GLU  HA           55 GLU  QB          3.50    (#   1952:25  Preassigned    2.32, 2.72 A)
 &rst
  ixpk= 1952, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 885, 886,
 &end
#
#   14 VAL  QG2          55 GLU  QB          5.50    (#   1953:25  Preassigned    2.28, 5.54 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 885, 886,
 &end
#
#    7 MET  HA           61 GLU  HB2         5.50    (#   1954:25  Preassigned    2.57, 2.79 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  83, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HB2         5.50    (#   1955:25  Preassigned    4.07, 4.30 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  66, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HB2         5.50    (#   1956:25  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 1956, nxpk= 25, iat= 980, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HN           61 GLU  HB2         5.50    (#   1957:25  Preassigned    3.74, 3.85 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=  98, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HA           21 GLN  QB          5.50    (#   1958:25  Preassigned    4.66, 5.25 A)
 &rst
  ixpk= 1958, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   61 GLU  HA           61 GLU  HB2         4.50    (#   1959:25  Preassigned    2.44, 2.49 A)
 &rst
  ixpk= 1959, nxpk= 25, iat= 967, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HG-          61 GLU  HB2         2.80    (#   1960:25  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 972, 973,
 &end
#
#   61 ASN  HA           60 GLU  HB2         5.50    (#   1961:25  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 1961, nxpk= 25, iat= 953, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QG2          21 GLN  QB          5.50    (#   1962:25  Preassigned    3.90, 6.20 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 298, 299,
 &end
#
#   54 LYS  HN           54 LYS  QD          5.50    (#   1963:25  Preassigned    2.21, 4.54 A)
 &rst
  ixpk= 1963, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#    0 AMB  25-3:1964     0 AMB  25-1:1964   5.50    (#   1964:25  Double Ambig)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 881,1053,
 igr2= 869, 870, 772, 773,
 &end
#
#    0 AMB  25-3:1965     0 AMB  25-1:1965   2.80    (#   1965:25  Double Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 767, 866, 867, 250, 251,
 igr2= 772, 773, 869, 870, 253, 254,
 &end
#
#   17 LYS  HN           17 LYS  QD          5.50    (#   1966:25  Preassigned    4.74, 5.36 A)
 &rst
  ixpk= 1966, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-3:1967     0 AMB  25-1:1967   5.50    (#   1967:25  Double Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 861, 245, 284,
 igr2= 869, 870, 253, 254,
 &end
#
#    0 AMB  25-3:1968     0 AMB  25-1:1968   2.80    (#   1968:25  Double Ambig)
 &rst
  ixpk= 1968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 872, 873, 256, 257,
 igr2= 869, 870, 253, 254,
 &end
#
#   17 LYS  QB           17 LYS  QD          2.80    (#   1969:25  Preassigned    2.37, 3.26 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-3:1970     0 AMB  25-1:1970   2.80    (#   1970:25  Double Ambig)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 769, 770, 866, 867,
 igr2= 772, 773, 869, 870,
 &end
#
#   53 LYS  HB2          53 LYS  HD-         5.50    (#   1971:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  HA           53 LYS  HD-         3.50    (#   1972:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 1972, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HD-         4.50    (#   1974:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG+          53 LYS  HD-         4.50    (#   1975:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   54 LYS  HN           53 LYS  HD+         5.50    (#   1976:25  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 1976, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HD+         4.50    (#   1977:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG-          53 LYS  HD+         4.50    (#   1979:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   59 VAL  QG1          53 LYS  HD+         4.50    (#   1980:25  Preassigned    2.51, 3.78 A)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 847, 848,
 &end
#
#   53 LYS  HA           53 LYS  HD+         5.50    (#   1981:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 1981, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   57 ASP  HB2          53 LYS  HD+         5.50    (#   1982:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1982, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   54 LYS  HN           53 LYS  HD-         5.50    (#   1983:25  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 1983, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG-          53 LYS  HD-         5.50    (#   1984:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   14 VAL  HN           13 LYS  HD+         5.50    (#   1985:25  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 1985, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   15 HID  HE1          13 LYS  HD+         5.50    (#   1986:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 1986, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HA           13 LYS  HD+         4.50    (#   1987:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 1987, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE-          13 LYS  HD+         5.50    (#   1988:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:1989     0 AMB  25-1:1989   5.50    (#   1989:25  Double Ambig)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 176, 445, 446, 447,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 LYS  HE+          13 LYS  HD+         5.50    (#   1990:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HD+         5.50    (#   1992:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG+          13 LYS  HD+         5.50    (#   1993:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HN           13 LYS  HD+         5.50    (#   1994:25  Preassigned    4.14, 5.75 A)
 &rst
  ixpk= 1994, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG+          13 LYS  HD-         5.50    (#   1995:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE-          13 LYS  HD-         5.50    (#   1996:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE+          13 LYS  HD-         5.50    (#   1997:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:2000    13 LYS  HD-         4.50    (#   2000:25  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 176, 445, 446, 447,
 igr2= 182, 183,
 &end
#
#   15 HID  HE1          13 LYS  HD-         5.50    (#   2001:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 2001, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HA           13 LYS  HD-         5.50    (#   2002:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 2002, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HD-         4.50    (#   2003:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   39 PRO  HD-          39 PRO  HG-         4.50    (#   2006:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB+          39 PRO  HG-         4.50    (#   2007:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   27 GLU  HG+          39 PRO  HG-         5.50    (#   2008:25  Preassigned    5.74, 6.78 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HG-         3.50    (#   2010:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   41 VAL  QG2          39 PRO  HG-         5.50    (#   2011:25  Preassigned    5.11, 6.82 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD+          39 PRO  HG-         4.50    (#   2012:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 ILE  HB           38 PRO  HG+         7.00    (#   2013:25  Preassigned    5.84, 6.32 A)
 &rst
  ixpk= 2013, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 618, 619,
 &end
#
#   39 ILE  HB           38 PRO  HG-         7.00    (#   2015:25  Unique         5.84, 6.32 A)
 &rst
  ixpk= 2015, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2016     0 AMB  25-1:2016   5.50    (#   2016:25  Double Ambig)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 628, 647,
 igr2= 618, 619, 618, 619,
 &end
#
#   41 VAL  QG2          39 PRO  HG+         5.50    (#   2017:25  Preassigned    5.11, 6.82 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD+          39 PRO  HG+         4.50    (#   2018:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD-          39 PRO  HG+         4.50    (#   2019:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB+          39 PRO  HG+         4.50    (#   2020:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   27 GLU  HG+          39 PRO  HG+         5.50    (#   2021:25  Preassigned    5.74, 6.78 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HG+         2.80    (#   2023:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2024     0 AMB  25-1:2024   5.50    (#   2024:25  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 438, 439, 440, 442, 443,
 igr2= 618, 619, 618, 619,
 &end
#
#    5 ILE  QG2           5 ILE  HG1-        4.50    (#   2026:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2=  55,  56,
 &end
#
#   47 ILE  HB           47 ILE  HG1-        3.50    (#   2027:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 2027, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2028     5 ILE  HG1-        3.50    (#   2028:25  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1024,1025,1026,1028,1029,1030,  58,  59,  60,
 igr2=  55,  56,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        5.50    (#   2029:25  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 2029, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2030    47 ILE  HG1-        4.50    (#   2030:25  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 729,
 igr2= 737, 738,
 &end
#
#   47 GLY  HA-          46 ILE  HG1-        5.50    (#   2031:25  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 722, 723,
 igr2= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HG1-        3.50    (#   2033:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 740, 741, 742,
 igr2= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HG1-        4.50    (#   2034:25  Preassigned    2.38, 3.56 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735,
 igr2= 737, 738,
 &end
#
#    5 ILE  HN            5 ILE  HG1-        4.50    (#   2035:25  Unique         2.07, 2.97 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#    5 SER  HA            4 ILE  HG1+        5.50    (#   2036:25  Preassigned    3.40, 4.40 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#    5 ILE  HA            5 ILE  HG1-        5.50    (#   2037:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#   21 GLN  HG-          47 ILE  HG1+        5.50    (#   2038:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 301, 302,
 igr2= 737, 738,
 &end
#
#    5 ILE  HB            5 ILE  HG1+        4.50    (#   2039:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HG1+        4.50    (#   2040:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2=  55,  56,
 &end
#
#    0 AMB  25-3:2041     0 AMB  25-1:2041   5.50    (#   2041:25  Double Ambig)
 &rst
  ixpk= 2041, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 311, 746,
 igr2= 737, 738, 737, 738,
 &end
#
#   47 ILE  HN           47 ILE  HG1+        5.50    (#   2042:25  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 2042, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#    5 ILE  HA            5 ILE  HG1+        4.50    (#   2043:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#   22 ILE  HG1-         47 ILE  HG1+        7.00    (#   2044:25  Preassigned    5.34, 7.02 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 321, 322,
 igr2= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HG1+        2.80    (#   2045:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 740, 741, 742,
 igr2= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HG1+        2.80    (#   2046:25  Preassigned    2.38, 3.56 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 733, 734, 735,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2047     0 AMB  25-1:2047   4.50    (#   2047:25  Double Ambig)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 296, 729,
 igr2= 737, 738, 737, 738,
 &end
#
#   21 GLN  QB           47 ILE  HG1+        5.50    (#   2048:25  Preassigned    2.89, 5.21 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 298, 299,
 igr2= 737, 738,
 &end
#
#   47 ILE  HB           47 ILE  HG1+        4.50    (#   2049:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 2049, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2050     0 AMB  25-1:2050   5.50    (#   2050:25  Double Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 igr2=  55,  56,  55,  56,  55,  56,
 &end
#
#    0 AMB  25-3:2051    39 PRO  HG-         5.50    (#   2051:25  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 624, 597,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2052     0 AMB  25-1:2052   4.50    (#   2052:25  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 624, 597,
 igr2= 618, 619, 618, 619,
 &end
#
#   52 LYS  HA           52 LYS  QD          4.50    (#   2053:25  Preassigned    2.10, 2.75 A)
 &rst
  ixpk= 2053, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 825, 826,
 &end
#
#   52 LYS  HE-          52 LYS  QD          5.50    (#   2054:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#   52 LYS  HE+          52 LYS  QD          5.50    (#   2055:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#   67 GLU  HG+          52 LYS  QD          5.50    (#   2056:25  Preassigned    4.18, 6.53 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1060,1061,
 igr2= 825, 826,
 &end
#
#   50 GLU  HG-          52 LYS  QD          4.50    (#   2057:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 792,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:2058    52 LYS  QD          4.50    (#   2058:25  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1058, 789,
 igr2= 825, 826,
 &end
#
#   52 LYS  HG+          52 LYS  QD          2.80    (#   2059:25  Preassigned    2.33, 2.73 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 822, 823,
 igr2= 825, 826,
 &end
#
#   52 LYS  HN           52 LYS  QD          5.50    (#   2060:25  Preassigned    3.55, 4.17 A)
 &rst
  ixpk= 2060, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:2061    52 LYS  QD          4.50    (#   2061:25  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1057, 820,
 igr2= 825, 826,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        5.50    (#   2062:25  Preassigned    3.07, 3.60 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2063     0 AMB  25-1:2063   5.50    (#   2063:25  Double Ambig)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 220,  76, 167,
 igr2= 442, 443,  55,  56, 442, 443,
 &end
#
#   30 ILE  HA           30 ILE  HG1+        5.50    (#   2065:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 2065, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2067     0 AMB  25-1:2067   5.50    (#   2067:25  Double Ambig)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 939, 398, 399,
 igr2=  55,  56, 442, 443,
 &end
#
#    0 AMB  25-3:2068     0 AMB  25-1:2068   2.80    (#   2068:25  Double Ambig)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 436,1038,1039,1073,
 igr2= 442, 443,1075,
 &end
#
#    0 AMB  25-3:2069     0 AMB  25-1:2069   5.50    (#   2069:25  Double Ambig)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1070,1036,
 igr2=1075,1022,
 &end
#
#    0 AMB  25-3:2070     0 AMB  25-1:2070   3.50    (#   2070:25  Double Ambig)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1081,1082,1083, 138, 139, 140, 142, 143, 144, 460,
       461, 462, 464, 465, 466, 460, 461, 462, 464, 465,
       466,
 igr2=1075,  55,  56,
 &end
#
#    5 ILE  HN            5 ILE  HG1+        4.50    (#   2071:25  Unique         2.07, 2.97 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#   30 ILE  HA           30 ILE  HG1-        5.50    (#   2072:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 2072, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        5.50    (#   2074:25  Preassigned    3.07, 3.60 A)
 &rst
  ixpk= 2074, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2075    30 ILE  HG1-        5.50    (#   2075:25  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 167,
 igr2= 442, 443,
 &end
#
#   39 PRO  HA           30 ILE  HG1-        5.50    (#   2076:25  Preassigned    2.40, 3.35 A)
 &rst
  ixpk= 2076, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   30 ILE  HB           30 ILE  HG1-        4.50    (#   2077:25  Preassigned    2.44, 2.75 A)
 &rst
  ixpk= 2077, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   65 LEU  HA            0 AMB  25-1:2078   5.50    (#   2078:25  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1022,  55,  56,
 &end
#
#   38 ILE  HA           38 ILE  HG1+        4.50    (#   2079:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 2079, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   33 SER  HB2          38 ILE  HG1+        5.50    (#   2080:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 2080, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HB3          38 ILE  HG1+        5.50    (#   2081:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 2081, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1+        3.50    (#   2082:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 2082, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:2084     0 AMB  25-1:2084   2.80    (#   2084:25  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 608, 609, 610,1024,1025,1026,1028,1029,1030,1043,
      1044,1045,1047,1048,1049,1043,1044,1045,1047,1048,
      1049,
 igr2= 605, 606,1022,
 &end
#
#    0 AMB  25-3:2085    65 LEU  HG          2.80    (#   2085:25  Single Ambig)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  58,  59,  60,1024,1025,1026,1028,1029,1030, 634,
       635, 636, 641, 642, 643,
 &end
#
#    0 AMB  25-3:2086     0 AMB  25-1:2086   4.50    (#   2086:25  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1068, 595,
 igr2=1075, 605, 606,
 &end
#
#    0 AMB  25-3:2087     0 AMB  25-1:2087   5.50    (#   2087:25  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 567, 574, 575, 576,
 igr2= 605, 606, 605, 606,
 &end
#
#   38 ILE  QG2          38 ILE  HG1+        3.50    (#   2088:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602, 603,
 igr2= 605, 606,
 &end
#
#   11 LEU  HA           11 LEU  HG          5.50    (#   2089:25  Preassigned    2.87, 2.96 A)
 &rst
  ixpk= 2089, nxpk= 25, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HG          5.50    (#   2090:25  Preassigned    3.11, 3.96 A)
 &rst
  ixpk= 2090, nxpk= 25, iat= 883, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG2          11 LEU  HG          4.50    (#   2091:25  Unique         2.35, 2.87 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#   2092:25  Preassigned    4.09, 4.49 A)
 &rst
  ixpk= 2092, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB3          11 LEU  HG          4.50    (#   2093:25  Preassigned    2.37, 2.53 A)
 &rst
  ixpk= 2093, nxpk= 25, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  QG2          38 ILE  HG1-        3.50    (#   2094:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602, 603,
 igr2= 605, 606,
 &end
#
#   38 ILE  HN           38 ILE  HG1-        5.50    (#   2095:25  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 2095, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  HA           38 ILE  HG1-        4.50    (#   2096:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 2096, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   33 SER  HB3          38 ILE  HG1-        5.50    (#   2097:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 2097, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:2098    38 ILE  HG1-        5.50    (#   2098:25  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 568, 587, 588,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1-        4.50    (#   2099:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 2099, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   31 LEU  HB3          38 ILE  HG1-        5.50    (#   2100:25  Preassigned    3.66, 4.69 A)
 &rst
  ixpk= 2100, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  QD1          38 ILE  HG1-        3.50    (#   2102:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 608, 609, 610,
 igr2= 605, 606,
 &end
#
#   52 LYS  HN           66 LEU  QD+         5.50    (#   2103:25  Preassigned    2.99, 5.75 A)
 &rst
  ixpk= 2103, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HA           66 LEU  QD+         4.50    (#   2104:25  Preassigned    2.17, 3.88 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HA           66 LEU  QD+         4.50    (#   2105:25  Preassigned    2.09, 4.51 A)
 &rst
  ixpk= 2105, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HB           66 LEU  QD+         5.50    (#   2106:25  Preassigned    4.46, 6.55 A)
 &rst
  ixpk= 2106, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  QG1          66 LEU  QD+         4.50    (#   2107:25  Preassigned    2.33, 5.22 A)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 805, 806, 807,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   16 VAL  QG1          66 LEU  QD+         4.50    (#   2108:25  Preassigned    2.31, 4.68 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 233, 234, 235,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   65 LEU  HN           65 LEU  QD-         5.50    (#   2109:25  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HA           65 LEU  QD-         5.50    (#   2110:25  Preassigned    3.71, 5.88 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  QD-         5.50    (#   2112:25  Preassigned    3.75, 5.21 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  QD-         5.50    (#   2113:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2114    65 LEU  QD-         5.50    (#   2114:25  Single Ambig)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  22, 842,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HB+          65 LEU  QD-         5.50    (#   2115:25  Preassigned    2.23, 5.51 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1038,1039,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2116    65 LEU  QD-         3.50    (#   2116:25  Single Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1038,1039,1020, 632,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2117    65 LEU  QD-         2.80    (#   2117:25  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  55,  56,1022, 426, 427, 428,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HB2          65 LEU  QD-         4.50    (#   2118:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2119    65 LEU  QD-         5.50    (#   2119:25  Single Ambig)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 200, 201, 202, 844, 845, 805, 806, 807,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    3 VAL  QG1          65 LEU  QD-         5.50    (#   2120:25  Preassigned    2.61, 5.90 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  24,  25,  26,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   32 GLU  HN           40 ILE  HG1+        7.00    (#   2121:25  Preassigned    6.48, 6.84 A)
 &rst
  ixpk= 2121, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2123     0 AMB  25-1:2123   5.50    (#   2123:25  Double Ambig)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 819,
 igr2= 605, 606,1022,
 &end
#
#   11 LEU  QD-          11 LEU  HG          5.50    (#   2124:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HB-          66 LEU  QD+         3.50    (#   2125:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:2126     0 AMB  25-1:2126   5.50    (#   2126:25  Double Ambig)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1= 822, 823, 321, 322,1019,
 igr2=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   67 GLU  HN           66 LEU  QD+         5.50    (#   2128:25  Preassigned    2.56, 4.68 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  HB           65 LEU  QD-         5.50    (#   2129:25  Preassigned    3.51, 5.24 A)
 &rst
  ixpk= 2129, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2130     0 AMB  25-1:2130   5.50    (#   2130:25  Double Ambig)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 470, 194,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2131     0 AMB  25-1:2131   2.80    (#   2131:25  Double Ambig)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 638, 639, 841, 455,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HB+          66 LEU  HG          5.50    (#   2132:25  Preassigned    2.42, 2.79 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#    0 AMB  25-3:2133    66 LEU  HG          2.80    (#   2133:25  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 &end
#
#   66 LEU  QD-          65 LEU  HG          5.50    (#   2134:25  Preassigned    2.18, 4.97 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2135    66 LEU  HG          5.50    (#   2135:25  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 756, 757, 758,  28,  29,  30,
 &end
#
#    3 VAL  HB           66 LEU  HG          5.50    (#   2136:25  Preassigned    2.82, 4.21 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  22,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           40 ILE  HG1+        5.50    (#   2137:25  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 2137, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HN           40 ILE  HG1+        4.50    (#   2138:25  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 2138, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 638, 639,
 &end
#
#   40 ILE  HA           40 ILE  HG1+        5.50    (#   2139:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 2139, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HB           40 ILE  HG1+        3.50    (#   2140:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 2140, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2142     0 AMB  25-1:2142   2.80    (#   2142:25  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 641, 642, 643, 634, 635, 636,  58,  59,  60,
 igr2= 638, 639, 638, 639, 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HG1+        5.50    (#   2143:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 2143, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2144     0 AMB  25-1:2144   3.50    (#   2144:25  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 458, 138, 139, 140, 142, 143, 144, 460, 461, 462,
       464, 465, 466,
 igr2= 638, 639, 638, 639, 638, 639,
 &end
#
#   40 PRO  HA           39 ILE  HG1+        5.50    (#   2145:25  Preassigned    3.43, 4.39 A)
 &rst
  ixpk= 2145, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   31 LEU  HN           40 ILE  HG1-        5.50    (#   2146:25  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 2146, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HG1-        5.50    (#   2147:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 2147, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HN           40 ILE  HG1-        5.50    (#   2148:25  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 2148, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HA           40 ILE  HG1-        4.50    (#   2149:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 2149, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2150    40 ILE  HG1-        2.80    (#   2150:25  Single Ambig)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 641, 642, 643,  58,  59,  60,
 igr2= 638, 639,
 &end
#
#   40 ILE  HB           40 ILE  HG1-        2.80    (#   2151:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 2151, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 638, 639,
 &end
#
#   35 MET  HA           34 BTL  HG+         5.50    (#   2152:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 2152, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB2          35 BTL  HG+         4.50    (#   2153:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 2153, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HD-          35 BTL  HG+         2.80    (#   2154:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 523, 524,
 igr2= 520, 521,
 &end
#
#   35 BTL  HN           35 BTL  HG+         5.50    (#   2155:25  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 2155, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HG+         4.50    (#   2156:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 2156, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HZ1          35 BTL  HG+         5.50    (#   2157:25  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 2157, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HG+         5.50    (#   2158:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 2158, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE-          35 BTL  HG+         5.50    (#   2159:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE+          35 BTL  HG+         5.50    (#   2160:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HG-         4.50    (#   2161:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 2161, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HD-          35 BTL  HG-         2.80    (#   2162:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 523, 524,
 igr2= 520, 521,
 &end
#
#   35 BTL  HN           35 BTL  HG-         5.50    (#   2163:25  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 2163, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 MET  HA           34 BTL  HG-         5.50    (#   2164:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE-          35 BTL  HG-         5.50    (#   2165:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE+          35 BTL  HG-         5.50    (#   2166:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB2          35 BTL  HG-         4.50    (#   2167:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 2167, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HG-         4.50    (#   2168:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 2168, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HZ1          35 BTL  HG-         5.50    (#   2169:25  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 2169, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   66 LEU  HN           66 LEU  QD-         5.50    (#   2170:25  Preassigned    4.18, 5.32 A)
 &rst
  ixpk= 2170, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  HA           66 LEU  QD-         5.50    (#   2171:25  Preassigned    3.40, 5.27 A)
 &rst
  ixpk= 2171, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           66 LEU  QD-         4.50    (#   2172:25  Preassigned    2.66, 4.74 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB+          66 LEU  QD-         3.50    (#   2173:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB-          66 LEU  QD-         3.50    (#   2174:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HG           66 LEU  QD-         3.50    (#   2175:25  Preassigned    2.38, 2.67 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   31 LEU  HN           31 LEU  HG          5.50    (#   2176:25  Preassigned    2.94, 3.01 A)
 &rst
  ixpk= 2176, nxpk= 25, iat= 451, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2177     0 AMB  25-1:2177   5.50    (#   2177:25  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 148, 935, 115, 628,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   57 ASP  HN           11 LEU  QD-         5.50    (#   2178:25  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 2178, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    7 MET  HN           31 LEU  HG          7.00    (#   2180:25  Preassigned    5.15, 5.61 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  81, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HA           11 LEU  QD-         5.50    (#   2182:25  Preassigned    4.43, 6.50 A)
 &rst
  ixpk= 2182, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   39 PRO  HA           31 LEU  HG          7.00    (#   2183:25  Preassigned    5.35, 5.65 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 624, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2184     0 AMB  25-1:2184   5.50    (#   2184:25  Double Ambig)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 434, 174, 937,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    9 GLY  HA+          31 LEU  HG          5.50    (#   2185:25  Preassigned    5.25, 6.26 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    0 AMB  25-3:2186     0 AMB  25-1:2186   5.50    (#   2186:25  Double Ambig)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 196,  47, 110, 111,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   33 SER  HB2          31 LEU  HG          7.00    (#   2187:25  Preassigned    6.18, 6.43 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 489, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HA           11 LEU  QD-         5.50    (#   2188:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 2188, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    7 MET  QG           31 LEU  HG          7.00    (#   2189:25  Preassigned    5.90, 6.75 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  88,  89,
 &end
#
#   59 VAL  HB           11 LEU  QD-         5.50    (#   2190:25  Preassigned    3.91, 5.51 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  HB           31 LEU  HG          4.50    (#   2191:25  Preassigned    3.63, 3.81 A)
 &rst
  ixpk= 2191, nxpk= 25, iat= 599, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB3          31 LEU  HG          4.50    (#   2192:25  Preassigned    3.01, 3.04 A)
 &rst
  ixpk= 2192, nxpk= 25, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2193     0 AMB  25-1:2193   4.50    (#   2193:25  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2194     0 AMB  25-1:2194   2.80    (#   2194:25  Double Ambig)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 638, 639, 136,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   48 VAL  QG2          22 ILE  HG1-        4.50    (#   2195:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2196    22 ILE  HG1-        4.50    (#   2196:25  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 711, 729,
 igr2= 321, 322,
 &end
#
#   22 ILE  QD1          22 ILE  HG1-        2.80    (#   2198:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 324, 325, 326,
 igr2= 321, 322,
 &end
#
#   68 LEU  QD2          22 ILE  HG1-        5.50    (#   2199:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#   2200:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 2200, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   66 LEU  QD+          22 ILE  HG1-        5.50    (#   2201:25  Unique         4.42, 6.40 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,
 igr2= 321, 322,
 &end
#
#   48 VAL  QG2          22 ILE  HG1+        4.50    (#   2202:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758,
 igr2= 321, 322,
 &end
#
#   22 ILE  HN           22 ILE  HG1+        4.50    (#   2203:25  Unique         2.36, 2.80 A)
 &rst
  ixpk= 2203, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   46 GLY  HN           22 ILE  HG1+        5.50    (#   2204:25  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 2204, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   68 LEU  QD2          22 ILE  HG1+        4.50    (#   2205:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1081,1082,1083,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2206    66 LEU  QD-         5.50    (#   2206:25  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 408,1055,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:2207    66 LEU  QD-         5.50    (#   2207:25  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 410, 231,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   16 VAL  QG1          66 LEU  QD-         3.50    (#   2208:25  Preassigned    2.31, 4.68 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 233, 234, 235,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   68 LEU  QD2          66 LEU  QD-         3.50    (#   2209:25  Preassigned    2.23, 4.40 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1081,1082,1083,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   44 ARG  HN           68 LEU  QD1         5.50    (#   2210:25  Preassigned    3.70, 4.74 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   31 ILE  HN           30 LEU  QD-         5.50    (#   2212:25  Preassigned    4.78, 7.06 A)
 &rst
  ixpk= 2212, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HN           31 LEU  QD-         5.50    (#   2213:25  Preassigned    4.17, 6.33 A)
 &rst
  ixpk= 2213, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   33 SER  HN           31 LEU  QD-         5.50    (#   2215:25  Preassigned    5.81, 6.85 A)
 &rst
  ixpk= 2215, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2217    31 LEU  QD-         5.50    (#   2217:25  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 487, 953,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HA           31 LEU  QD-         4.50    (#   2219:25  Preassigned    2.33, 4.78 A)
 &rst
  ixpk= 2219, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   33 SER  HB3          31 LEU  QD-         5.50    (#   2220:25  Preassigned    4.64, 6.27 A)
 &rst
  ixpk= 2220, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    10 ASN  HB2          31 LEU  QD-         5.50    (#   2221:25  Preassigned    5.39, 7.27 A)
 &rst
  ixpk= 2221, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HB3          31 LEU  QD-         4.50    (#   2223:25  Unique         4.91, 7.22 A)
 &rst
  ixpk= 2223, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2225    31 LEU  QD-         3.50    (#   2225:25  Single Ambig)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 133, 426, 427, 428,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   38 ILE  QD1          31 LEU  QD-         2.80    (#   2227:25  Preassigned    2.41, 5.49 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 608, 609, 610,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   60 ASN  HN           31 LEU  QD-         5.50    (#   2228:25  Unique         5.45, 6.80 A)
 &rst
  ixpk= 2228, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   22 ILE  HN           22 ILE  HG1-        4.50    (#   2229:25  Unique         2.36, 2.80 A)
 &rst
  ixpk= 2229, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   46 GLY  HN           22 ILE  HG1-        4.50    (#   2230:25  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 2230, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   22 ILE  HB           22 ILE  HG1+        4.50    (#   2231:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 2231, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   22 ILE  QG2          22 ILE  HG1+        4.50    (#   2233:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 317, 318, 319,
 igr2= 321, 322,
 &end
#
#   22 ILE  QD1          22 ILE  HG1+        3.50    (#   2234:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 324, 325, 326,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#   2235:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 2235, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   45 SER  HA           22 ILE  HG1+        5.50    (#   2236:25  Preassigned    2.47, 3.55 A)
 &rst
  ixpk= 2236, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2237     0 AMB  25-1:2237   5.50    (#   2237:25  Double Ambig)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2= 321, 322, 321, 322,
 &end
#
#   11 LEU  HB2          31 LEU  QD+         4.50    (#   2238:25  Preassigned    3.66, 5.90 A)
 &rst
  ixpk= 2238, nxpk= 25, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   57 ASP  HB3          11 LEU  QD+         5.50    (#   2239:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 2239, nxpk= 25, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HB2          11 LEU  QD+         5.50    (#   2240:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 2240, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HN           11 LEU  QD+         5.50    (#   2241:25  Preassigned    2.75, 4.98 A)
 &rst
  ixpk= 2241, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HN           11 LEU  QD+         5.50    (#   2242:25  Preassigned    3.17, 4.92 A)
 &rst
  ixpk= 2242, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           11 LEU  QD+         5.50    (#   2243:25  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 2243, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2244     0 AMB  25-1:2244   5.50    (#   2244:25  Double Ambig)
 &rst
  ixpk= 2244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 148, 935, 115,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HN           11 LEU  QD+         5.50    (#   2245:25  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 2245, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   13 LYS  HN           11 LEU  QD+         5.50    (#   2246:25  Preassigned    3.68, 5.78 A)
 &rst
  ixpk= 2246, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HA           11 LEU  QD+         5.50    (#   2247:25  Preassigned    3.61, 6.13 A)
 &rst
  ixpk= 2247, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HA           11 LEU  QD+         4.50    (#   2248:25  Preassigned    2.14, 3.74 A)
 &rst
  ixpk= 2248, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HA           11 LEU  QD+         5.50    (#   2249:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 2249, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2250     0 AMB  25-1:2250   5.50    (#   2250:25  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 939, 198,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   53 LYS  HB3          11 LEU  QD+         4.50    (#   2251:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 2251, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2252     0 AMB  25-1:2252   2.80    (#   2252:25  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 426, 427, 428, 133,1072, 844, 845,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,1077,1078,1079, 138, 139, 140, 142, 143,
       144,
 &end
#
#    0 AMB  25-3:2253     0 AMB  25-1:2253   2.80    (#   2253:25  Double Ambig)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 841, 692, 693,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    0 AMB  25-3:2254     0 AMB  25-1:2254   5.50    (#   2254:25  Double Ambig)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 844, 845, 200, 201, 202,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   47 ILE  HN           68 LEU  QD1         5.50    (#   2255:25  Preassigned    3.94, 5.64 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HN           68 LEU  QD1         5.50    (#   2256:25  Preassigned    3.84, 5.26 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   68 LEU  HA           68 LEU  QD1         5.50    (#   2257:25  Preassigned    4.38, 4.77 A)
 &rst
  ixpk= 2257, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HA-          68 LEU  QD1         5.50    (#   2259:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2260    68 LEU  QD1         5.50    (#   2260:25  Single Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1116,1117,1116,1117,
 igr2=1077,1078,1079,
 &end
#
#   44 ARG  HB+          68 LEU  QD1         5.50    (#   2261:25  Unique         2.33, 5.04 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 689, 690,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2262     0 AMB  25-1:2262   3.50    (#   2262:25  Double Ambig)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 134,1073,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    3 VAL  QG1          68 LEU  QD1         4.50    (#   2263:25  Unique         5.14, 6.86 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  24,  25,  26,
 igr2=1077,1078,1079,
 &end
#
#   68 LEU  HN           68 LEU  QD1         5.50    (#   2264:25  Preassigned    4.42, 5.01 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HA+          68 LEU  QD1         5.50    (#   2265:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1077,1078,1079,
 &end
#
#   48 VAL  HA           68 LEU  QD1         5.50    (#   2266:25  Preassigned    4.80, 5.39 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   44 ARG  QD           68 LEU  QD1         5.50    (#   2267:25  Preassigned    2.41, 5.10 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 696,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2269     0 AMB  25-1:2269   5.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  64, 451,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2270     0 AMB  25-1:2270   5.50    (#   2270:25  Double Ambig)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 117, 472,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    8 ALA  HA           31 LEU  QD+         5.50    (#   2271:25  Unique         5.06, 6.18 A)
 &rst
  ixpk= 2271, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2272     0 AMB  25-1:2272   5.50    (#   2272:25  Double Ambig)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  83, 434,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2273     0 AMB  25-1:2273   5.50    (#   2273:25  Double Ambig)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 939,  92,  93,  94,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2274     0 AMB  25-1:2274   5.50    (#   2274:25  Double Ambig)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=  85,  86, 599,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   31 LEU  HB2          31 LEU  QD+         2.80    (#   2275:25  Preassigned    2.39, 3.50 A)
 &rst
  ixpk= 2275, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   44 ARG  HN           44 ARG  HG+         5.50    (#   2276:25  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 2276, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 692, 693,
 &end
#
#   44 ARG  QD           44 ARG  HG+         4.50    (#   2277:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 692, 693,
 &end
#
#   44 ARG  HB-          44 ARG  HG+         3.50    (#   2278:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2280     0 AMB  25-1:2280   5.50    (#   2280:25  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 687,  20,
 igr2= 692, 693, 692, 693,
 &end
#
#   44 ARG  HB+          44 ARG  HG+         4.50    (#   2281:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#   68 LEU  QD1          44 ARG  HG+         5.50    (#   2282:25  Preassigned    2.43, 3.73 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2283     0 AMB  25-1:2283   5.50    (#   2283:25  Double Ambig)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 709, 720,
 igr2= 692, 693, 692, 693,
 &end
#
#    3 VAL  QG1          44 ARG  HG+         5.50    (#   2284:25  Preassigned    3.26, 6.50 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 692, 693,
 &end
#
#   68 LEU  QD1          44 ARG  HG-         4.50    (#   2285:25  Preassigned    2.43, 3.73 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1077,1078,1079,
 igr2= 692, 693,
 &end
#
#   67 GLU  HN           52 LYS  HG-         5.50    (#   2286:25  Preassigned    2.86, 4.20 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2287    44 ARG  HG-         5.50    (#   2287:25  Single Ambig)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 687,  20,
 igr2= 692, 693,
 &end
#
#   44 ARG  HN           44 ARG  HG-         5.50    (#   2288:25  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 2288, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 692, 693,
 &end
#
#   44 ARG  HB+          44 ARG  HG-         4.50    (#   2289:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#   44 ARG  QD           44 ARG  HG-         4.50    (#   2290:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2292    44 ARG  HG-         5.50    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 720,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2293    44 ARG  HG-         5.50    (#   2293:25  Single Ambig)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 675, 711,
 igr2= 692, 693,
 &end
#
#   49 VAL  QG1          48 LYS  HG-         5.50    (#   2294:25  Preassigned    5.74, 7.03 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2= 769, 770,
 &end
#
#   52 LYS  HE+          52 LYS  HG+         5.50    (#   2295:25  Preassigned    2.35, 2.91 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 822, 823,
 &end
#
#   52 LYS  HN           52 LYS  HG+         4.50    (#   2296:25  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 2296, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG+         5.50    (#   2297:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2298     0 AMB  25-1:2298   4.50    (#   2298:25  Double Ambig)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 817, 801,
 igr2= 822, 823, 822, 823,
 &end
#
#   64 VAL  HB           52 LYS  HG+         5.50    (#   2299:25  Unique         2.20, 3.07 A)
 &rst
  ixpk= 2299, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2300     0 AMB  25-1:2300   4.50    (#   2300:25  Double Ambig)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 820,1057,
 igr2= 822, 823, 822, 823,
 &end
#
#    0 AMB  25-3:2301     0 AMB  25-1:2301   3.50    (#   2301:25  Double Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 819, 789,
 igr2= 822, 823, 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG-         5.50    (#   2302:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   52 LYS  HN           52 LYS  HG-         4.50    (#   2303:25  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 2303, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG-         5.50    (#   2304:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2305    52 LYS  HG-         4.50    (#   2305:25  Single Ambig)
 &rst
  ixpk= 2305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 801,
 igr2= 822, 823,
 &end
#
#   25 GLY  HA-          24 LYS  QG          5.50    (#   2306:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 369, 370,
 igr2= 352, 353,
 &end
#
#   24 LYS  HA           24 LYS  QG          4.50    (#   2307:25  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 2307, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#    0 AMB  25-3:2308     0 AMB  25-1:2308   4.50    (#   2308:25  Double Ambig)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 828, 829, 358, 359,
 igr2= 822, 823, 352, 353,
 &end
#
#    0 AMB  25-3:2309    52 LYS  HG-         4.50    (#   2309:25  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 820,1057,
 igr2= 822, 823,
 &end
#
#   64 VAL  HB           52 LYS  HG-         5.50    (#   2310:25  Unique         2.20, 3.07 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2311    52 LYS  HG-         4.50    (#   2311:25  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 819, 789,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2312     0 AMB  25-1:2312   2.80    (#   2312:25  Double Ambig)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 825, 826, 349,
 igr2= 822, 823, 352, 353,
 &end
#
#   64 VAL  QG1          52 LYS  HG-         4.50    (#   2314:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,1007,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2315    24 LYS  QG          5.50    (#   2315:25  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 345, 709, 374,
 igr2= 352, 353,
 &end
#
#   43 ASP  HA           24 LYS  QG          4.50    (#   2316:25  Preassigned    2.61, 4.07 A)
 &rst
  ixpk= 2316, nxpk= 25, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#   44 ARG  HA           24 LYS  QG          4.50    (#   2317:25  Preassigned    2.46, 3.78 A)
 &rst
  ixpk= 2317, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#    0 AMB  25-3:2318    24 LYS  QG          2.80    (#   2318:25  Single Ambig)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 355, 356, 350,
 igr2= 352, 353,
 &end
#
#   64 VAL  QG1          52 LYS  HG+         4.50    (#   2319:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,1007,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2320     0 AMB  25-1:2320   4.50    (#   2320:25  Double Ambig)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 367,1015,
 igr2= 352, 353, 822, 823,
 &end
#
#   33 SER  HB2          31 LEU  QD+         5.50    (#   2321:25  Preassigned    4.38, 5.89 A)
 &rst
  ixpk= 2321, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   32 GLU  HN           31 LEU  QD+         5.50    (#   2322:25  Preassigned    3.73, 5.16 A)
 &rst
  ixpk= 2322, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2323     0 AMB  25-1:2323   4.50    (#   2323:25  Double Ambig)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 115, 148,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    8 ALA  HN           31 LEU  QD+         5.50    (#   2324:25  Preassigned    4.81, 6.46 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HN           31 LEU  QD+         5.50    (#   2325:25  Preassigned    4.27, 5.54 A)
 &rst
  ixpk= 2325, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    7 MET  HN           31 LEU  QD+         5.50    (#   2326:25  Preassigned    2.78, 4.70 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HA+          31 LEU  QD+         4.50    (#   2328:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 110, 111,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HA-          31 LEU  QD+         5.50    (#   2329:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 110, 111,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HA           31 LEU  QD+         4.50    (#   2330:25  Preassigned    2.33, 4.78 A)
 &rst
  ixpk= 2330, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    7 MET  QG           31 LEU  QD+         5.50    (#   2331:25  Preassigned    2.97, 5.73 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  88,  89,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    5 ILE  QG2          31 LEU  QD+         4.50    (#   2332:25  Preassigned    2.16, 4.04 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   49 LYS  HN           49 LYS  HG+         5.50    (#   2333:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2333, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   50 GLU  HN           49 LYS  HG+         5.50    (#   2334:25  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 2334, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   49 LYS  QE           49 LYS  HG+         5.50    (#   2335:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 775, 776,
 igr2= 769, 770,
 &end
#
#   49 LYS  HA           49 LYS  HG+         4.50    (#   2336:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 2336, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 769, 770,
 &end
#
#   50 GLU  HB2          49 LYS  HG+         5.50    (#   2337:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 2337, nxpk= 25, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#    0 AMB  25-3:2338     0 AMB  25-1:2338   2.80    (#   2338:25  Double Ambig)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 772, 773, 766,
 igr2= 769, 770, 769, 770,
 &end
#
#   49 LYS  HD+          49 LYS  HG+         2.80    (#   2339:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 SER  QB           49 LYS  HG-         7.00    (#   2341:25  Preassigned    4.17, 6.17 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1091,1092,
 igr2= 769, 770,
 &end
#
#   50 GLU  HN           49 LYS  HG-         5.50    (#   2342:25  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 2342, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.50    (#   2343:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 2343, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 769, 770,
 &end
#
#   49 LYS  QE           49 LYS  HG-         5.50    (#   2344:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 775, 776,
 igr2= 769, 770,
 &end
#
#   50 GLU  HB2          49 LYS  HG-         5.50    (#   2345:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 2345, nxpk= 25, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#    0 AMB  25-3:2346    49 LYS  HG-         2.80    (#   2346:25  Single Ambig)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 772, 773, 766,
 igr2= 769, 770,
 &end
#
#   49 LYS  HN           49 LYS  HG-         5.50    (#   2348:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2348, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   53 LYS  HN           52 LYS  HG-         5.50    (#   2349:25  Preassigned    4.58, 5.18 A)
 &rst
  ixpk= 2349, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2350     0 AMB  25-1:2350   2.80    (#   2350:25  Double Ambig)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 772, 773, 825, 826, 767,
 igr2= 769, 770, 822, 823,
 &end
#
#   52 LYS  HE+          52 LYS  HG-         5.50    (#   2351:25  Preassigned    2.35, 2.91 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 822, 823,
 &end
#
#   65 LEU  HA           53 LYS  HG+         5.50    (#   2352:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2353     0 AMB  25-1:2353   4.50    (#   2353:25  Double Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 847, 848, 820,
 igr2= 844, 845, 844, 845,
 &end
#
#   53 LYS  HN           53 LYS  HG+         5.50    (#   2354:25  Preassigned    3.27, 3.91 A)
 &rst
  ixpk= 2354, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   53 LYS  QE           53 LYS  HG+         4.50    (#   2355:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB3          53 LYS  HG+         4.50    (#   2356:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 2356, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 844, 845,
 &end
#
#   11 LEU  QD-          53 LYS  HG+         5.50    (#   2358:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   53 LYS  HA           53 LYS  HG+         5.50    (#   2359:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 2359, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG1          53 LYS  HG+         4.50    (#   2360:25  Preassigned    2.31, 3.54 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 844, 845,
 &end
#
#   11 LEU  QD+          53 LYS  HG+         5.50    (#   2361:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   55 GLU  HN           54 LYS  HG+         5.50    (#   2362:25  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 2362, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   55 GLU  HN           54 LYS  HG-         5.50    (#   2363:25  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 2363, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   11 LEU  QD-          53 LYS  HG-         5.50    (#   2364:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   65 LEU  HA           53 LYS  HG-         5.50    (#   2365:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG1          53 LYS  HG-         4.50    (#   2366:25  Preassigned    2.31, 3.54 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG2          53 LYS  HG-         5.50    (#   2367:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 844, 845,
 &end
#
#   53 LYS  QE           53 LYS  HG-         4.50    (#   2368:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2369    53 LYS  HG-         4.50    (#   2369:25  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 847, 848, 820,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB3          53 LYS  HG-         3.50    (#   2370:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 2370, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB2          53 LYS  HG-         2.80    (#   2372:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 2372, nxpk= 25, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG2          53 LYS  HG-         5.50    (#   2373:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2374    13 LYS  HG-         5.50    (#   2374:25  Single Ambig)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 161,
 igr2= 179, 180,
 &end
#
#   13 LYS  HE+          13 LYS  HG-         5.50    (#   2375:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   13 LYS  HA           13 LYS  HG-         5.50    (#   2376:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 2376, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2377    13 LYS  HG-         5.50    (#   2377:25  Single Ambig)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 185, 186, 888, 889,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG-         5.50    (#   2378:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2378, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2379    13 LYS  HG-         5.50    (#   2379:25  Single Ambig)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 161,
 igr2= 179, 180,
 &end
#
#   13 LYS  HD-          13 LYS  HG-         5.50    (#   2380:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB2          13 LYS  HG-         4.50    (#   2381:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 2381, nxpk= 25, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   30 ILE  HB           13 LYS  HG+         5.50    (#   2382:25  Preassigned    3.90, 4.67 A)
 &rst
  ixpk= 2382, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG-         5.50    (#   2383:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2383, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HD1          12 LYS  HG-         5.50    (#   2384:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 2384, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HD1          12 LYS  HG+         5.50    (#   2386:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 2386, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2387     0 AMB  25-1:2387   5.50    (#   2387:25  Double Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 185, 186, 888, 889,
 igr2= 179, 180, 179, 180,
 &end
#
#   13 LYS  HE+          13 LYS  HG+         5.50    (#   2388:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG+         4.50    (#   2389:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2389, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   14 VAL  QG2          13 LYS  HG+         5.50    (#   2390:25  Preassigned    5.93, 7.19 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 179, 180,
 &end
#
#   15 HID  HE1          13 LYS  HG+         5.50    (#   2392:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 2392, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HA           13 LYS  HG+         5.50    (#   2393:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 2393, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB2          13 LYS  HG+         4.50    (#   2394:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 2394, nxpk= 25, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   13 LYS  HD-          13 LYS  HG+         5.50    (#   2395:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   54 LYS  HA           54 LYS  HG+         4.50    (#   2397:25  Preassigned    3.71, 3.87 A)
 &rst
  ixpk= 2397, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#   54 LYS  QE           54 LYS  HG+         5.50    (#   2398:25  Preassigned    2.33, 3.10 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 866, 867,
 &end
#
#   54 LYS  HN           54 LYS  HG+         4.50    (#   2399:25  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 2399, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#   54 LYS  QD           54 LYS  HG+         2.80    (#   2400:25  Preassigned    2.35, 2.73 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 869, 870,
 igr2= 866, 867,
 &end
#
#   54 LYS  HA           54 LYS  HG-         5.50    (#   2402:25  Preassigned    3.71, 3.87 A)
 &rst
  ixpk= 2402, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   54 LYS  QE           54 LYS  HG-         5.50    (#   2403:25  Preassigned    2.33, 3.10 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 866, 867,
 &end
#
#    0 AMB  25-3:2404    54 LYS  HG-         2.80    (#   2404:25  Single Ambig)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 863, 864, 869, 870,
 igr2= 866, 867,
 &end
#
#   54 LYS  HN           54 LYS  HG-         5.50    (#   2406:25  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 2406, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   65 LEU  HN           65 LEU  QD+         5.50    (#   2407:25  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 2407, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   52 LYS  HN           65 LEU  QD+         5.50    (#   2408:25  Preassigned    3.97, 6.04 A)
 &rst
  ixpk= 2408, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HA           65 LEU  QD+         5.50    (#   2409:25  Preassigned    3.71, 5.88 A)
 &rst
  ixpk= 2409, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HB+          65 LEU  QD+         5.50    (#   2411:25  Unique         2.23, 5.51 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1038,1039,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2412     0 AMB  25-1:2412   4.50    (#   2412:25  Double Ambig)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1038,1039,1020, 632,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HB2          65 LEU  QD+         3.50    (#   2413:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  QD+         5.50    (#   2414:25  Preassigned    3.75, 5.21 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HN           65 LEU  QD+         7.00    (#   2415:25  Preassigned    3.26, 6.14 A)
 &rst
  ixpk= 2415, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   28 VAL  HA           65 LEU  QD+         7.00    (#   2416:25  Unique         5.30, 7.04 A)
 &rst
  ixpk= 2416, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  QD+         3.50    (#   2417:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 2417, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2418     0 AMB  25-1:2418   5.50    (#   2418:25  Double Ambig)
 &rst
  ixpk= 2418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  47, 196,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#   59 VAL  HB           65 LEU  QD+         5.50    (#   2419:25  Unique         4.83, 7.40 A)
 &rst
  ixpk= 2419, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2421     0 AMB  25-1:2421   4.50    (#   2421:25  Double Ambig)
 &rst
  ixpk= 2421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  22, 842,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#    0 AMB  25-3:2422     0 AMB  25-1:2422   2.80    (#   2422:25  Double Ambig)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  55,  56,1022,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#    0 AMB  25-3:2423     0 AMB  25-1:2423   3.50    (#   2423:25  Double Ambig)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 200, 201, 202, 844, 845, 805, 806, 807,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,1024,1025,1026,1028,1029,1030,
 &end
#
#    3 VAL  QG1          65 LEU  QD+         5.50    (#   2424:25  Preassigned    2.61, 5.90 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  24,  25,  26,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   28 VAL  QG2          65 LEU  QD+         4.50    (#   2425:25  Preassigned    2.31, 4.94 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 416, 417, 418,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   11 LEU  QD-          65 LEU  QD+         2.80    (#   2427:25  Preassigned    2.25, 4.82 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   68 LEU  HN           68 LEU  QD2         5.50    (#   2428:25  Preassigned    3.76, 4.57 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   49 LYS  HN           68 LEU  QD2         5.50    (#   2429:25  Preassigned    3.01, 4.00 A)
 &rst
  ixpk= 2429, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   69 SER  HN           68 LEU  QD2         5.50    (#   2430:25  Preassigned    4.13, 4.93 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2431    68 LEU  QD2         5.50    (#   2431:25  Single Ambig)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 727,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HN           68 LEU  QD2         5.50    (#   2432:25  Preassigned    4.94, 6.14 A)
 &rst
  ixpk= 2432, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HA           68 LEU  QD2         3.50    (#   2433:25  Preassigned    2.41, 3.16 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2435    68 LEU  QD2         7.00    (#   2435:25  Single Ambig)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  20,1089,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HA+          68 LEU  QD2         5.50    (#   2436:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HA-          68 LEU  QD2         5.50    (#   2437:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1081,1082,1083,
 &end
#
#   48 VAL  HA           68 LEU  QD2         3.50    (#   2439:25  Preassigned    2.14, 2.70 A)
 &rst
  ixpk= 2439, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2440    68 LEU  QD2         5.50    (#   2440:25  Single Ambig)
 &rst
  ixpk= 2440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 750, 231,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HB3          68 LEU  QD2         4.50    (#   2441:25  Preassigned    2.56, 3.21 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1081,1082,1083,
 &end
#
#   66 LEU  HB-          68 LEU  QD2         4.50    (#   2442:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1038,1039,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HG           68 LEU  QD2         2.80    (#   2443:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1081,1082,1083,
 &end
#
#   22 ILE  HG1-         68 LEU  QD2         4.50    (#   2444:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2=1081,1082,1083,
 &end
#
#   22 ILE  HG1+         68 LEU  QD2         5.50    (#   2445:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2=1081,1082,1083,
 &end
#
#   16 VAL  QG1          68 LEU  QD2         4.50    (#   2446:25  Unique         4.99, 6.57 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 233, 234, 235,
 igr2=1081,1082,1083,
 &end
#
#   48 VAL  QG2          68 LEU  QD2         3.50    (#   2447:25  Preassigned    2.65, 3.84 A)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 756, 757, 758,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2448    68 LEU  QD2         3.50    (#   2448:25  Single Ambig)
 &rst
  ixpk= 2448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1081,1082,1083,
 &end
#
#   17 LYS  QD           17 LYS  HG+         2.80    (#   2449:25  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   17 LYS  QB           17 LYS  HG+         2.80    (#   2450:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           17 LYS  HG+         5.50    (#   2451:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 2451, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HA           17 LYS  HG+         5.50    (#   2452:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 2452, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HN           17 LYS  HG+         4.50    (#   2454:25  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 2454, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 250, 251,
 &end
#
#   17 LYS  QE           17 LYS  HG+         5.50    (#   2455:25  Preassigned    2.37, 3.33 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   17 VAL  HA           16 LYS  HG+         5.50    (#   2456:25  Preassigned    3.51, 4.33 A)
 &rst
  ixpk= 2456, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HN           17 LYS  HG-         5.50    (#   2457:25  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 2457, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           17 LYS  HG-         5.50    (#   2458:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 2458, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  QD           17 LYS  HG-         3.50    (#   2459:25  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   17 LYS  QE           17 LYS  HG-         5.50    (#   2460:25  Preassigned    2.37, 3.33 A)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   17 LYS  QB           17 LYS  HG-         2.80    (#   2461:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#   17 LYS  HA           17 LYS  HG-         5.50    (#   2463:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 2463, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   30 ILE  HN           29 ALA  QB          4.50    (#   2464:25  Preassigned    2.20, 3.11 A)
 &rst
  ixpk= 2464, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2465    29 ALA  QB          5.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 628, 148, 647,
 igr2= 426, 427, 428,
 &end
#
#   29 ALA  HN           29 ALA  QB          4.50    (#   2466:25  Preassigned    2.96, 3.50 A)
 &rst
  ixpk= 2466, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#   13 LYS  HN           29 ALA  QB          5.50    (#   2467:25  Preassigned    4.23, 5.30 A)
 &rst
  ixpk= 2467, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   16 VAL  HN            0 AMB  25-1:2468   5.50    (#   2468:25  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   29 ALA  HA           29 ALA  QB          2.80    (#   2469:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2469, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2470    29 ALA  QB          5.50    (#   2470:25  Single Ambig)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 198, 398, 399,
 igr2= 426, 427, 428,
 &end
#
#   40 ILE  HB           29 ALA  QB          2.80    (#   2471:25  Preassigned    2.20, 3.30 A)
 &rst
  ixpk= 2471, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#   14 VAL  QG1          29 ALA  QB          3.50    (#   2472:25  Preassigned    2.80, 5.02 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 200, 201, 202,
 igr2= 426, 427, 428,
 &end
#
#   65 LEU  QD+          29 ALA  QB          3.50    (#   2473:25  Preassigned    2.41, 4.10 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1024,1025,1026,1028,1029,1030,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2474    29 ALA  QB          2.80    (#   2474:25  Single Ambig)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 641, 642, 643,1024,1025,1026,1028,1029,1030, 634,
       635, 636,
 igr2= 426, 427, 428,
 &end
#
#   11 LEU  QD-          29 ALA  QB          4.50    (#   2475:25  Preassigned    2.25, 4.01 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 426, 427, 428,
 &end
#
#   29 VAL  HN           28 ALA  QB          5.50    (#   2476:25  Unique         4.61, 5.23 A)
 &rst
  ixpk= 2476, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   15 HID  HN           29 ALA  QB          5.50    (#   2477:25  Preassigned    3.61, 4.63 A)
 &rst
  ixpk= 2477, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   16 VAL  HN           29 ALA  QB          5.50    (#   2478:25  Preassigned    5.18, 6.32 A)
 &rst
  ixpk= 2478, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2479    29 ALA  QB          5.50    (#   2479:25  Single Ambig)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 630,
 igr2= 426, 427, 428,
 &end
#
#   51 VAL  HB           17 LYS  HG-         7.00    (#   2492:25  Unique         5.95, 7.12 A)
 &rst
  ixpk= 2492, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 250, 251,
 &end
#
#   17 VAL  QG1          16 LYS  HG-         5.50    (#   2494:25  Preassigned    5.49, 6.95 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235,
 igr2= 250, 251,
 &end
#
#    0 AMB  25-3:2496    17 LYS  HG-         4.50    (#   2496:25  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 809, 810, 811, 237, 238, 239,
 igr2= 250, 251,
 &end
#
#   48 VAL  QG1          17 LYS  HG-         5.50    (#   2497:25  Preassigned    5.49, 7.17 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2= 250, 251,
 &end
#
#   14 VAL  QG1          17 LYS  HG-         5.50    (#   2498:25  Unique         5.28, 7.12 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 250, 251,
 &end
#
#   49 LYS  HN           48 VAL  QG2         5.50    (#   2499:25  Preassigned    4.26, 5.07 A)
 &rst
  ixpk= 2499, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   19 GLY  HN           48 VAL  QG2         5.50    (#   2500:25  Preassigned    5.02, 5.49 A)
 &rst
  ixpk= 2500, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   48 VAL  HN           48 VAL  QG2         3.50    (#   2501:25  Preassigned    2.14, 3.09 A)
 &rst
  ixpk= 2501, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#   30 ILE  HN           28 VAL  QG2         7.00    (#   2502:25  Preassigned    6.19, 7.24 A)
 &rst
  ixpk= 2502, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2503    48 VAL  QG2         5.50    (#   2503:25  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 727,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HN           48 VAL  QG2         5.50    (#   2504:25  Preassigned    3.94, 4.55 A)
 &rst
  ixpk= 2504, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   50 GLU  HN           48 VAL  QG2         5.50    (#   2505:25  Preassigned    5.20, 5.89 A)
 &rst
  ixpk= 2505, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2506    48 VAL  QG2         5.50    (#   2506:25  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1070,1036,
 igr2= 756, 757, 758,
 &end
#
#   48 VAL  HA           48 VAL  QG2         3.50    (#   2508:25  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 2508, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HB3          48 VAL  QG2         4.50    (#   2509:25  Preassigned    2.61, 3.56 A)
 &rst
  ixpk= 2509, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HB2          48 VAL  QG2         5.50    (#   2510:25  Preassigned    4.20, 5.24 A)
 &rst
  ixpk= 2510, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2511     0 AMB  25-1:2511   2.80    (#   2511:25  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 231, 410, 750,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   22 ILE  HG1-         48 VAL  QG2         4.50    (#   2512:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2513    48 VAL  QG2         3.50    (#   2513:25  Single Ambig)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 igr2= 756, 757, 758,
 &end
#
#   68 LEU  QD2          48 VAL  QG2         3.50    (#   2515:25  Preassigned    2.65, 3.84 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1081,1082,1083,
 igr2= 756, 757, 758,
 &end
#
#   59 PHE  HA           58 VAL  QG1         5.50    (#   2516:25  Preassigned    4.13, 5.14 A)
 &rst
  ixpk= 2516, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   14 VAL  HA           29 ALA  QB          3.50    (#   2517:25  Preassigned    2.62, 3.43 A)
 &rst
  ixpk= 2517, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 426, 427, 428,
 &end
#
#   63 ASP  HB3          59 VAL  QG1         5.50    (#   2518:25  Preassigned    3.17, 4.46 A)
 &rst
  ixpk= 2518, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2519    48 VAL  QG1         5.50    (#   2519:25  Single Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 799,1087,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2520    59 VAL  QG1         5.50    (#   2520:25  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 935, 915,
 igr2= 941, 942, 943,
 &end
#
#   63 ASP  HN           59 VAL  QG1         5.50    (#   2521:25  Preassigned    5.76, 6.83 A)
 &rst
  ixpk= 2521, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   59 VAL  HA           59 VAL  QG1         3.50    (#   2522:25  Preassigned    2.36, 2.99 A)
 &rst
  ixpk= 2522, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  QE           59 VAL  QG1         4.50    (#   2523:25  Preassigned    1.95, 3.75 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 850, 851,
 igr2= 941, 942, 943,
 &end
#
#   57 ASP  HB2          59 VAL  QG1         5.50    (#   2524:25  Preassigned    4.69, 6.08 A)
 &rst
  ixpk= 2524, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  HD+          59 VAL  QG1         4.50    (#   2525:25  Preassigned    2.51, 3.78 A)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 847, 848,
 igr2= 941, 942, 943,
 &end
#
#   49 LYS  HN           48 VAL  QG1         4.50    (#   2526:25  Preassigned    2.72, 3.65 A)
 &rst
  ixpk= 2526, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 752, 753, 754,
 &end
#
#   68 LEU  HN           48 VAL  QG1         5.50    (#   2527:25  Preassigned    5.95, 6.92 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   19 GLY  HN           48 VAL  QG1         5.50    (#   2528:25  Preassigned    3.32, 4.36 A)
 &rst
  ixpk= 2528, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   48 VAL  HN           48 VAL  QG1         5.50    (#   2529:25  Preassigned    4.37, 4.51 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   17 LYS  HN           48 VAL  QG1         5.50    (#   2530:25  Preassigned    3.34, 4.54 A)
 &rst
  ixpk= 2530, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2531    48 VAL  QG1         5.50    (#   2531:25  Single Ambig)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 265,
 igr2= 752, 753, 754,
 &end
#
#   20 ASP  HN           48 VAL  QG1         5.50    (#   2532:25  Preassigned    4.15, 4.75 A)
 &rst
  ixpk= 2532, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   50 GLU  HN           48 VAL  QG1         4.50    (#   2533:25  Preassigned    2.78, 3.38 A)
 &rst
  ixpk= 2533, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 752, 753, 754,
 &end
#
#   20 ASP  HB3          48 VAL  QG1         5.50    (#   2534:25  Preassigned    4.07, 5.02 A)
 &rst
  ixpk= 2534, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   48 VAL  HB           48 VAL  QG1         3.50    (#   2535:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 2535, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  HB           48 VAL  QG1         5.50    (#   2536:25  Unique         4.94, 5.52 A)
 &rst
  ixpk= 2536, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HB+          48 VAL  QG1         5.50    (#   2537:25  Unique         2.70, 5.75 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HB-          48 VAL  QG1         5.50    (#   2538:25  Preassigned    2.70, 5.75 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2539    48 VAL  QG1         5.50    (#   2539:25  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1075, 769, 770,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  QG1          48 VAL  QG1         5.50    (#   2540:25  Preassigned    4.10, 5.85 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 805, 806, 807,
 igr2= 752, 753, 754,
 &end
#
#   16 VAL  QG1          48 VAL  QG1         5.50    (#   2541:25  Preassigned    4.45, 5.93 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 233, 234, 235,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2542    48 VAL  QG1         3.50    (#   2542:25  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 809, 810, 811,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2544    48 VAL  QG1         5.50    (#   2544:25  Single Ambig)
 &rst
  ixpk= 2544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1070,1036,
 igr2= 752, 753, 754,
 &end
#
#   17 LYS  HA           48 VAL  QG1         5.50    (#   2545:25  Preassigned    3.88, 4.95 A)
 &rst
  ixpk= 2545, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  HA           48 VAL  QG1         5.50    (#   2546:25  Preassigned    3.89, 4.40 A)
 &rst
  ixpk= 2546, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   65 LEU  HA           59 VAL  QG1         5.50    (#   2547:25  Preassigned    4.61, 5.26 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2548    48 VAL  QG1         2.80    (#   2548:25  Single Ambig)
 &rst
  ixpk= 2548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 267, 748,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HG           48 VAL  QG1         5.50    (#   2549:25  Preassigned    2.29, 4.82 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   18 ALA  QB           48 VAL  QG1         5.50    (#   2550:25  Preassigned    3.81, 5.43 A)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 269, 270, 271,
 igr2= 752, 753, 754,
 &end
#
#   29 VAL  HA           28 ALA  QB          5.50    (#   2554:25  Preassigned    4.88, 5.60 A)
 &rst
  ixpk= 2554, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2555    29 ALA  QB          5.50    (#   2555:25  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 434, 174,
 igr2= 426, 427, 428,
 &end
#
#   29 VAL  HB           28 ALA  QB          5.50    (#   2556:25  Preassigned    4.22, 5.10 A)
 &rst
  ixpk= 2556, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   15 HID  HD2          28 VAL  QG2         7.00    (#   2558:25  Preassigned    5.70, 6.41 A)
 &rst
  ixpk= 2558, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HN           28 VAL  QG2         3.50    (#   2559:25  Preassigned    2.08, 2.97 A)
 &rst
  ixpk= 2559, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2561     0 AMB  25-1:2561   5.50    (#   2561:25  Double Ambig)
 &rst
  ixpk= 2561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 663, 243, 647,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   26 GLN  HN           28 VAL  QG2         5.50    (#   2562:25  Preassigned    5.99, 6.88 A)
 &rst
  ixpk= 2562, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   29 ALA  HN           28 VAL  QG2         5.50    (#   2563:25  Preassigned    2.73, 3.47 A)
 &rst
  ixpk= 2563, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   26 GLN  HE21          0 AMB  25-1:2564   5.50    (#   2564:25  Single Ambig)
 &rst
  ixpk= 2564, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   26 GLN  HE22          0 AMB  25-1:2565   5.50    (#   2565:25  Single Ambig)
 &rst
  ixpk= 2565, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   41 VAL  HA           28 VAL  QG2         5.50    (#   2566:25  Preassigned    2.37, 3.55 A)
 &rst
  ixpk= 2566, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HA           28 VAL  QG2         3.50    (#   2567:25  Preassigned    3.77, 3.97 A)
 &rst
  ixpk= 2567, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   28 GLU  HA           27 VAL  QG2         5.50    (#   2568:25  Preassigned    3.80, 4.79 A)
 &rst
  ixpk= 2568, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   42 ALA  HA           28 VAL  QG2         5.50    (#   2569:25  Preassigned    2.78, 3.55 A)
 &rst
  ixpk= 2569, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HB           28 VAL  QG2         2.80    (#   2570:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2570, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2571    28 VAL  QG2         5.50    (#   2571:25  Single Ambig)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 379, 398, 399,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2572     0 AMB  25-1:2572   3.50    (#   2572:25  Double Ambig)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668, 669,1038,1039,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   29 ALA  QB           28 VAL  QG2         5.50    (#   2575:25  Preassigned    3.26, 5.05 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 416, 417, 418,
 &end
#
#   60 ASN  HN           59 VAL  QG1         5.50    (#   2577:25  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 2577, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    10 ASN  HA           59 VAL  QG1         5.50    (#   2578:25  Preassigned    4.31, 5.33 A)
 &rst
  ixpk= 2578, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2579    59 VAL  QG1         5.50    (#   2579:25  Single Ambig)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 905, 953,
 igr2= 941, 942, 943,
 &end
#
#   54 LYS  HN           14 VAL  QG1         5.50    (#   2580:25  Preassigned    5.19, 6.32 A)
 &rst
  ixpk= 2580, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#    0 AMB  25-3:2581    14 VAL  QG1         5.50    (#   2581:25  Single Ambig)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 243, 815,
 igr2= 200, 201, 202,
 &end
#
#   53 LYS  HN           14 VAL  QG1         5.50    (#   2584:25  Preassigned    4.85, 5.73 A)
 &rst
  ixpk= 2584, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#    4 SER  HB3          64 VAL  QG2         5.50    (#   2590:25  Unique         6.30, 6.85 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HN           64 VAL  QG2         4.50    (#   2592:25  Preassigned    1.93, 2.77 A)
 &rst
  ixpk= 2592, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HA           64 VAL  QG2         3.50    (#   2593:25  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HB           64 VAL  QG2         2.80    (#   2594:25  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1009,1010,1011,
 &end
#
#   16 VAL  HN           14 VAL  QG2         5.50    (#   2595:25  Preassigned    5.35, 5.74 A)
 &rst
  ixpk= 2595, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   14 VAL  HN           14 VAL  QG2         4.50    (#   2596:25  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 2596, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   15 HID  HN           14 VAL  QG2         5.50    (#   2597:25  Preassigned    4.23, 4.85 A)
 &rst
  ixpk= 2597, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   14 VAL  HA           14 VAL  QG2         3.50    (#   2599:25  Preassigned    2.44, 3.12 A)
 &rst
  ixpk= 2599, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 204, 205, 206,
 &end
#
#   55 GLU  HA           14 VAL  QG2         4.50    (#   2600:25  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   55 GLU  HG+          14 VAL  QG2         4.50    (#   2601:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 888, 889,
 igr2= 204, 205, 206,
 &end
#
#   59 VAL  HB           59 VAL  QG1         5.50    (#   2602:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 2602, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   11 LEU  HB3          14 VAL  QG2         4.50    (#   2603:25  Preassigned    2.64, 4.04 A)
 &rst
  ixpk= 2603, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   29 ALA  QB           14 VAL  QG2         5.50    (#   2604:25  Preassigned    2.65, 4.31 A)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 204, 205, 206,
 &end
#
#   11 LEU  QD-          14 VAL  QG2         2.80    (#   2605:25  Preassigned    2.32, 4.20 A)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 204, 205, 206,
 &end
#
#   72 SER  HN           71 THR  QG2         5.50    (#   2606:25  Preassigned    3.30, 5.62 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#   72 THR  HB           72 THR  QG2         4.50    (#   2607:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 2607, nxpk= 25, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1129,1130,1131,
 &end
#
#   72 THR  HA           72 THR  QG2         5.50    (#   2609:25  Preassigned    2.37, 2.99 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#   66 LEU  HA           14 VAL  QG1         7.00    (#   2612:25  Preassigned    6.77, 7.48 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 200, 201, 202,
 &end
#
#   54 LYS  HA           14 VAL  QG1         5.50    (#   2613:25  Preassigned    2.96, 4.20 A)
 &rst
  ixpk= 2613, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   51 VAL  HA           14 VAL  QG1         5.50    (#   2614:25  Preassigned    5.47, 6.16 A)
 &rst
  ixpk= 2614, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   14 VAL  HB           14 VAL  QG1         2.80    (#   2615:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 200, 201, 202,
 &end
#
#   55 GLU  HG-          14 VAL  QG1         5.50    (#   2616:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 888, 889,
 igr2= 200, 201, 202,
 &end
#
#   54 LYS  QB           14 VAL  QG1         5.50    (#   2617:25  Unique         4.69, 6.26 A)
 &rst
  ixpk= 2617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 863, 864,
 igr2= 200, 201, 202,
 &end
#
#   28 VAL  HA           14 VAL  QG1         5.50    (#   2620:25  Preassigned    5.30, 6.11 A)
 &rst
  ixpk= 2620, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   16 VAL  QG1          14 VAL  QG1         4.50    (#   2622:25  Preassigned    4.92, 6.11 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 233, 234, 235,
 igr2= 200, 201, 202,
 &end
#
#   20 ASP  HB2          16 VAL  QG1         5.50    (#   2624:25  Preassigned    4.66, 5.95 A)
 &rst
  ixpk= 2624, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2625     3 VAL  QG1         5.50    (#   2625:25  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 673,  34,
 igr2=  24,  25,  26,
 &end
#
#   17 LYS  HN           16 VAL  QG1         4.50    (#   2626:25  Preassigned    3.55, 4.32 A)
 &rst
  ixpk= 2626, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#   16 HID  HN           15 VAL  QG1         5.50    (#   2627:25  Preassigned    3.71, 4.83 A)
 &rst
  ixpk= 2627, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE21         16 VAL  QG1         5.50    (#   2628:25  Preassigned    3.04, 4.01 A)
 &rst
  ixpk= 2628, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE22         16 VAL  QG1         5.50    (#   2629:25  Preassigned    3.70, 4.53 A)
 &rst
  ixpk= 2629, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HN           16 VAL  QG1         4.50    (#   2630:25  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 2630, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#   16 HID  HD2          15 VAL  QG1         7.00    (#   2631:25  Preassigned    5.78, 6.98 A)
 &rst
  ixpk= 2631, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HA           16 VAL  QG1         3.50    (#   2632:25  Preassigned    2.31, 2.95 A)
 &rst
  ixpk= 2632, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 233, 234, 235,
 &end
#
#   28 VAL  HA           16 VAL  QG1         4.50    (#   2633:25  Preassigned    2.34, 3.42 A)
 &rst
  ixpk= 2633, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#    3 VAL  HA            3 VAL  QG1         3.50    (#   2635:25  Preassigned    2.38, 3.02 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  24,  25,  26,
 &end
#
#   42 ALA  HA            3 VAL  QG1         4.50    (#   2636:25  Preassigned    2.53, 3.95 A)
 &rst
  ixpk= 2636, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  24,  25,  26,
 &end
#
#   16 HID  HB3          15 VAL  QG1         5.50    (#   2637:25  Preassigned    4.63, 5.70 A)
 &rst
  ixpk= 2637, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2638     0 AMB  25-1:2638   4.50    (#   2638:25  Double Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 828, 829, 287, 214,
 igr2=1009,1010,1011, 233, 234, 235,
 &end
#
#    0 AMB  25-3:2639    16 VAL  QG1         2.80    (#   2639:25  Single Ambig)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 410,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HG-          16 VAL  QG1         7.00    (#   2640:25  Preassigned    5.38, 7.14 A)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 381, 382,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2641     0 AMB  25-1:2641   4.50    (#   2641:25  Double Ambig)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1038,1039,1038,1039,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#    0 AMB  25-3:2642     3 VAL  QG1         4.50    (#   2642:25  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1020,1038,1039,
 igr2=  24,  25,  26,
 &end
#
#   53 LYS  HG+          64 VAL  QG2         4.50    (#   2643:25  Preassigned    2.75, 5.07 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845,
 igr2=1009,1010,1011,
 &end
#
#   44 ARG  HG-           3 VAL  QG1         5.50    (#   2644:25  Unique         3.26, 6.50 A)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2=  24,  25,  26,
 &end
#
#   53 LYS  HG-          64 VAL  QG2         3.50    (#   2645:25  Preassigned    2.75, 5.07 A)
 &rst
  ixpk= 2645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 844, 845,
 igr2=1009,1010,1011,
 &end
#
#    0 AMB  25-3:2647    16 VAL  QG1         2.80    (#   2647:25  Single Ambig)
 &rst
  ixpk= 2647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 324, 325, 326, 752, 753, 754,
 igr2= 233, 234, 235,
 &end
#
#   68 LEU  QD2          16 VAL  QG1         4.50    (#   2648:25  Unique         4.99, 6.57 A)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1081,1082,1083,
 igr2= 233, 234, 235,
 &end
#
#   66 LEU  HN            0 AMB  25-1:2649   5.50    (#   2649:25  Single Ambig)
 &rst
  ixpk= 2649, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  25-3:2650     0 AMB  25-1:2650   5.50    (#   2650:25  Double Ambig)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  36, 313,
 igr2=  24,  25,  26, 233, 234, 235,1009,1010,1011,
 &end
#
#   65 LEU  HA           64 VAL  QG2         5.50    (#   2652:25  Preassigned    4.15, 5.29 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#    0 AMB  25-3:2653     0 AMB  25-1:2653   5.50    (#   2653:25  Double Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47, 196,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#   48 VAL  HA           16 VAL  QG1         5.50    (#   2654:25  Preassigned    6.08, 6.84 A)
 &rst
  ixpk= 2654, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   18 ALA  QB           51 VAL  QG2         4.50    (#   2656:25  Preassigned    2.92, 5.65 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 269, 270, 271,
 igr2= 809, 810, 811,
 &end
#
#   19 GLY  HN           51 VAL  QG2         7.00    (#   2657:25  Preassigned    5.78, 6.44 A)
 &rst
  ixpk= 2657, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HN           51 VAL  QG2         4.50    (#   2658:25  Preassigned    2.41, 3.49 A)
 &rst
  ixpk= 2658, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   18 ALA  HN           51 VAL  QG2         4.50    (#   2659:25  Preassigned    2.77, 3.77 A)
 &rst
  ixpk= 2659, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   51 GLU  HN           50 VAL  QG2         5.50    (#   2660:25  Preassigned    4.36, 5.51 A)
 &rst
  ixpk= 2660, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   53 LYS  HN           51 VAL  QG2         5.50    (#   2661:25  Preassigned    5.51, 5.73 A)
 &rst
  ixpk= 2661, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   17 LYS  HA           51 VAL  QG2         3.50    (#   2662:25  Preassigned    2.19, 2.96 A)
 &rst
  ixpk= 2662, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 809, 810, 811,
 &end
#
#   51 GLU  HA           50 VAL  QG2         4.50    (#   2663:25  Preassigned    3.22, 4.58 A)
 &rst
  ixpk= 2663, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HA           51 VAL  QG2         3.50    (#   2664:25  Preassigned    2.64, 3.32 A)
 &rst
  ixpk= 2664, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 809, 810, 811,
 &end
#
#   18 ALA  HA           51 VAL  QG2         5.50    (#   2665:25  Preassigned    3.63, 4.52 A)
 &rst
  ixpk= 2665, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   53 LYS  HB3          14 VAL  QG1         5.50    (#   2666:25  Preassigned    5.69, 6.60 A)
 &rst
  ixpk= 2666, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   66 LEU  HA           51 VAL  QG2         5.50    (#   2667:25  Preassigned    4.18, 5.25 A)
 &rst
  ixpk= 2667, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HB           51 VAL  QG2         2.80    (#   2668:25  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 2668, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 809, 810, 811,
 &end
#
#   48 VAL  QG1          51 VAL  QG2         4.50    (#   2670:25  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 752, 753, 754,
 igr2= 809, 810, 811,
 &end
#
#   65 LEU  HN           64 VAL  QG1         4.50    (#   2671:25  Preassigned    3.81, 4.49 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1005,1006,1007,
 &end
#
#   64 VAL  HN           64 VAL  QG1         5.50    (#   2672:25  Preassigned    2.55, 3.45 A)
 &rst
  ixpk= 2672, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1005,1006,1007,
 &end
#
#    0 AMB  25-3:2673     0 AMB  25-1:2673   4.50    (#   2673:25  Double Ambig)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 172,1034,
 igr2= 204, 205, 206,1005,1006,1007,
 &end
#
#   53 LYS  HA           14 VAL  QG2         5.50    (#   2674:25  Unique         5.46, 6.48 A)
 &rst
  ixpk= 2674, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   64 VAL  HA           64 VAL  QG1         3.50    (#   2675:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1005,1006,1007,
 &end
#
#   64 VAL  HB           64 VAL  QG1         2.80    (#   2677:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2677, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1005,1006,1007,
 &end
#
#   52 LYS  HG+          64 VAL  QG1         3.50    (#   2678:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 822, 823,
 igr2=1005,1006,1007,
 &end
#
#    4 SER  HA           64 VAL  QG1         5.50    (#   2680:25  Preassigned    4.40, 5.30 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1005,1006,1007,
 &end
#
#    0 AMB  25-3:2681     0 AMB  25-1:2681   3.50    (#   2681:25  Double Ambig)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,1019,
 igr2=1009,1010,1011,  24,  25,  26,
 &end
#
#   15 HID  HN           51 VAL  QG1         5.50    (#   2683:25  Preassigned    5.22, 6.04 A)
 &rst
  ixpk= 2683, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   16 VAL  HN           51 VAL  QG1         4.50    (#   2684:25  Preassigned    4.25, 5.19 A)
 &rst
  ixpk= 2684, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 805, 806, 807,
 &end
#
#   16 VAL  HA           51 VAL  QG1         5.50    (#   2685:25  Unique         5.95, 6.69 A)
 &rst
  ixpk= 2685, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   14 VAL  HA           51 VAL  QG1         5.50    (#   2686:25  Preassigned    5.45, 6.21 A)
 &rst
  ixpk= 2686, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-3:2688    51 VAL  QG1         5.50    (#   2688:25  Single Ambig)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 410,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-3:2689    51 VAL  QG1         5.50    (#   2689:25  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 844, 845, 426, 427, 428,
 igr2= 805, 806, 807,
 &end
#
#   44 ARG  QD            3 VAL  QG1         5.50    (#   2690:25  Preassigned    3.21, 6.50 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 696,
 igr2=  24,  25,  26,
 &end
#
#   43 ASP  HN            3 VAL  QG2         4.50    (#   2693:25  Preassigned    2.75, 3.70 A)
 &rst
  ixpk= 2693, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   42 ALA  HN            3 VAL  QG2         5.50    (#   2694:25  Preassigned    5.66, 6.85 A)
 &rst
  ixpk= 2694, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   66 LEU  HN            3 VAL  QG2         5.50    (#   2695:25  Preassigned    4.29, 5.16 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#    3 VAL  HA            3 VAL  QG2         4.50    (#   2696:25  Preassigned    2.61, 3.39 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   42 ALA  HA            3 VAL  QG2         4.50    (#   2697:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 2697, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#    3 VAL  HB            3 VAL  QG2         3.50    (#   2699:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  28,  29,  30,
 &end
#
#   66 LEU  HB+           3 VAL  QG2         5.50    (#   2700:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2701     3 VAL  QG2         4.50    (#   2701:25  Single Ambig)
 &rst
  ixpk= 2701, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1038,1039, 667, 668, 669,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2702     3 VAL  QG2         5.50    (#   2702:25  Single Ambig)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 321, 322,1019,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2705     3 VAL  QG2         3.50    (#   2705:25  Single Ambig)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 igr2=  28,  29,  30,
 &end
#
#    4 SER  HA            3 VAL  QG2         7.00    (#   2706:25  Preassigned    6.52, 6.81 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  28,  29,  30,
 &end
#
#   68 LEU  HB2           3 VAL  QG2         5.50    (#   2708:25  Preassigned    4.79, 5.92 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   68 LEU  QD1           3 VAL  QG2         5.50    (#   2709:25  Preassigned    2.50, 3.97 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1077,1078,1079,
 igr2=  28,  29,  30,
 &end
#
#   44 ARG  HG-           3 VAL  QG2         5.50    (#   2710:25  Preassigned    2.70, 4.62 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2746    42 ALA  QB          4.50    (#   2746:25  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 367, 673,
 igr2= 667, 668, 669,
 &end
#
#   42 ALA  HN           42 ALA  QB          3.50    (#   2747:25  Preassigned    2.41, 2.83 A)
 &rst
  ixpk= 2747, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 667, 668, 669,
 &end
#
#   26 GLN  HN           42 ALA  QB          4.50    (#   2748:25  Preassigned    2.42, 3.59 A)
 &rst
  ixpk= 2748, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#   44 ARG  HN           42 ALA  QB          4.50    (#   2749:25  Preassigned    2.50, 3.77 A)
 &rst
  ixpk= 2749, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  HA           42 ALA  QB          5.50    (#   2750:25  Preassigned    4.74, 5.33 A)
 &rst
  ixpk= 2750, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   42 VAL  HA           41 ALA  QB          5.50    (#   2751:25  Preassigned    4.52, 5.03 A)
 &rst
  ixpk= 2751, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   42 ALA  HA           42 ALA  QB          3.50    (#   2752:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 2752, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 667, 668, 669,
 &end
#
#   25 GLY  HA-          42 ALA  QB          5.50    (#   2753:25  Preassigned    4.28, 5.89 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 667, 668, 669,
 &end
#
#   24 LYS  HA           42 ALA  QB          4.50    (#   2754:25  Preassigned    2.56, 3.50 A)
 &rst
  ixpk= 2754, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2755    42 ALA  QB          5.50    (#   2755:25  Single Ambig)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 378, 410, 337, 338,
 igr2= 667, 668, 669,
 &end
#
#   26 GLN  HB3          42 ALA  QB          5.50    (#   2756:25  Preassigned    2.94, 3.61 A)
 &rst
  ixpk= 2756, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  HG1-         42 ALA  QB          4.50    (#   2757:25  Preassigned    3.02, 4.54 A)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 667, 668, 669,
 &end
#
#   28 VAL  QG2          42 ALA  QB          3.50    (#   2758:25  Preassigned    3.52, 5.07 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 416, 417, 418,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2759    42 ALA  QB          4.50    (#   2759:25  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 657, 658, 659,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  QG2          42 ALA  QB          4.50    (#   2760:25  Preassigned    3.71, 5.31 A)
 &rst
  ixpk= 2760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 317, 318, 319,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2761    42 ALA  QB          3.50    (#   2761:25  Single Ambig)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 324, 325, 326, 412, 413, 414,
 igr2= 667, 668, 669,
 &end
#
#   68 LEU  QD2          42 ALA  QB          5.50    (#   2762:25  Preassigned    5.22, 6.95 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1081,1082,1083,
 igr2= 667, 668, 669,
 &end
#
#   25 GLY  HA+          42 ALA  QB          5.50    (#   2763:25  Preassigned    4.28, 5.89 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 667, 668, 669,
 &end
#
#   42 VAL  HB           41 ALA  QB          5.50    (#   2764:25  Preassigned    4.04, 4.96 A)
 &rst
  ixpk= 2764, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   61 GLU  HN            8 ALA  QB          4.50    (#   2765:25  Preassigned    3.69, 4.61 A)
 &rst
  ixpk= 2765, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    8 ALA  HN            8 ALA  QB          3.50    (#   2768:25  Preassigned    2.37, 2.87 A)
 &rst
  ixpk= 2768, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 102, 103, 104,
 &end
#
#    9 GLY  HN            8 ALA  QB          5.50    (#   2769:25  Preassigned    3.26, 3.94 A)
 &rst
  ixpk= 2769, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 102, 103, 104,
 &end
#
#   58 PHE  HZ            8 ALA  QB          4.50    (#   2770:25  Preassigned    4.40, 5.50 A)
 &rst
  ixpk= 2770, nxpk= 25, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    0 AMB  25-3:2771     8 ALA  QB          3.50    (#   2771:25  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 953, 487,
 igr2= 102, 103, 104,
 &end
#
#    8 ALA  HA            8 ALA  QB          2.80    (#   2772:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 2772, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 102, 103, 104,
 &end
#
#    8 MET  HA            7 ALA  QB          4.50    (#   2773:25  Preassigned    4.56, 5.03 A)
 &rst
  ixpk= 2773, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    9 GLY  HA-           8 ALA  QB          5.50    (#   2775:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 2775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 102, 103, 104,
 &end
#
#   60 ASN  HB+           8 ALA  QB          5.50    (#   2776:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 955, 956,
 igr2= 102, 103, 104,
 &end
#
#   34 MET  QE            8 ALA  QB          5.50    (#   2777:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 507, 508, 509,
 igr2= 102, 103, 104,
 &end
#
#   11 LEU  HN           59 VAL  QG2         5.50    (#   2779:25  Preassigned    2.51, 3.43 A)
 &rst
  ixpk= 2779, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HN           59 VAL  QG2         3.50    (#   2780:25  Preassigned    2.51, 3.12 A)
 &rst
  ixpk= 2780, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2781    59 VAL  QG2         5.50    (#   2781:25  Single Ambig)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  81, 925, 929,
 igr2= 945, 946, 947,
 &end
#
#    8 ALA  HA           59 VAL  QG2         5.50    (#   2782:25  Preassigned    4.52, 5.76 A)
 &rst
  ixpk= 2782, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HA           59 VAL  QG2         5.50    (#   2783:25  Preassigned    3.13, 3.86 A)
 &rst
  ixpk= 2783, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HB           59 VAL  QG2         3.50    (#   2784:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 2784, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HB2          59 VAL  QG2         4.50    (#   2785:25  Preassigned    2.45, 3.22 A)
 &rst
  ixpk= 2785, nxpk= 25, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 945, 946, 947,
 &end
#
#   60 ASN  HN           59 VAL  QG2         5.50    (#   2787:25  Preassigned    4.05, 4.78 A)
 &rst
  ixpk= 2787, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HN           59 VAL  QG2         4.50    (#   2789:25  Preassigned    3.10, 4.24 A)
 &rst
  ixpk= 2789, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 945, 946, 947,
 &end
#
#    10 ASN  HA           59 VAL  QG2         5.50    (#   2790:25  Preassigned    2.37, 3.34 A)
 &rst
  ixpk= 2790, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 PHE  HA           58 VAL  QG2         5.50    (#   2791:25  Preassigned    3.15, 4.30 A)
 &rst
  ixpk= 2791, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2792    59 VAL  QG2         5.50    (#   2792:25  Single Ambig)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 953, 487, 905,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HA           59 VAL  QG2         5.50    (#   2793:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 2793, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA-          59 VAL  QG2         5.50    (#   2794:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 2794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 945, 946, 947,
 &end
#
#   53 LYS  QE           59 VAL  QG2         5.50    (#   2795:25  Preassigned    5.36, 6.65 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851,
 igr2= 945, 946, 947,
 &end
#
#    5 ILE  HB           59 VAL  QG2         5.50    (#   2796:25  Preassigned    4.47, 5.60 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HB3          59 VAL  QG2         5.50    (#   2797:25  Preassigned    4.10, 4.78 A)
 &rst
  ixpk= 2797, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HG           59 VAL  QG2         5.50    (#   2798:25  Preassigned    4.77, 5.66 A)
 &rst
  ixpk= 2798, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   53 LYS  HG-          59 VAL  QG2         5.50    (#   2799:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 844, 845,
 igr2= 945, 946, 947,
 &end
#
#    5 ILE  QG2          59 VAL  QG2         3.50    (#   2800:25  Preassigned    2.64, 4.59 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  51,  52,  53,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2801    59 VAL  QG2         2.80    (#   2801:25  Single Ambig)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HA            5 ILE  QG2         7.00    (#   2803:25  Preassigned    5.95, 6.85 A)
 &rst
  ixpk= 2803, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    6 GLN  HN            5 ILE  QG2         4.50    (#   2804:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#   62 GLY  HN            5 ILE  QG2         5.50    (#   2805:25  Preassigned    3.76, 5.00 A)
 &rst
  ixpk= 2805, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2806     5 ILE  QG2         5.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  45, 935, 115,
 igr2=  51,  52,  53,
 &end
#
#   63 ASP  HN            5 ILE  QG2         5.50    (#   2807:25  Preassigned    3.94, 4.90 A)
 &rst
  ixpk= 2807, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    9 GLY  HN            5 ILE  QG2         5.50    (#   2808:25  Preassigned    4.80, 5.50 A)
 &rst
  ixpk= 2808, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  HN            5 ILE  QG2         3.50    (#   2809:25  Preassigned    1.89, 2.66 A)
 &rst
  ixpk= 2809, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    8 ALA  HA            5 ILE  QG2         5.50    (#   2810:25  Preassigned    4.71, 5.24 A)
 &rst
  ixpk= 2810, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2811     5 ILE  QG2         5.50    (#   2811:25  Single Ambig)
 &rst
  ixpk= 2811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937,  83,
 igr2=  51,  52,  53,
 &end
#
#    6 GLN  HA            5 ILE  QG2         5.50    (#   2812:25  Preassigned    4.00, 4.97 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HA            5 ILE  QG2         3.50    (#   2813:25  Preassigned    2.50, 3.24 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#   61 GLU  HA            5 ILE  QG2         5.50    (#   2814:25  Preassigned    2.95, 4.31 A)
 &rst
  ixpk= 2814, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   63 ASP  HB3           5 ILE  QG2         5.50    (#   2815:25  Preassigned    3.59, 4.65 A)
 &rst
  ixpk= 2815, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  QG            5 ILE  QG2         5.50    (#   2816:25  Preassigned    5.43, 6.51 A)
 &rst
  ixpk= 2816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2817     5 ILE  QG2         5.50    (#   2817:25  Single Ambig)
 &rst
  ixpk= 2817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  71,  72, 991,
 igr2=  51,  52,  53,
 &end
#
#   59 VAL  HB            5 ILE  QG2         5.50    (#   2818:25  Preassigned    2.08, 3.23 A)
 &rst
  ixpk= 2818, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2819     5 ILE  QG2         2.80    (#   2819:25  Single Ambig)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  49,  85,  86,
 igr2=  51,  52,  53,
 &end
#
#   65 LEU  HB3           5 ILE  QG2         7.00    (#   2820:25  Preassigned    6.77, 7.34 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HG1-          5 ILE  QG2         4.50    (#   2821:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  55,  56,
 igr2=  51,  52,  53,
 &end
#
#   65 LEU  HB2           5 ILE  QG2         7.00    (#   2823:25  Preassigned    5.34, 5.92 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HG1+          5 ILE  QG2         3.50    (#   2824:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  55,  56,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  QG2         3.50    (#   2825:25  Preassigned    2.31, 3.77 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  58,  59,  60,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2826     5 ILE  QG2         3.50    (#   2826:25  Single Ambig)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2827     5 ILE  QG2         5.50    (#   2827:25  Single Ambig)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 965,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  HB+           5 ILE  QG2         5.50    (#   2828:25  Preassigned    3.53, 5.03 A)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  85,  86,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2829     5 ILE  QG2         5.50    (#   2829:25  Single Ambig)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 456,
 igr2=  51,  52,  53,
 &end
#
#   32 GLU  HN           30 ILE  QG2         5.50    (#   2830:25  Preassigned    4.22, 5.40 A)
 &rst
  ixpk= 2830, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   38 ILE  HN           30 ILE  QG2         4.50    (#   2831:25  Preassigned    3.15, 3.68 A)
 &rst
  ixpk= 2831, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   31 LEU  HN           30 ILE  QG2         4.50    (#   2832:25  Preassigned    2.58, 3.18 A)
 &rst
  ixpk= 2832, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HN           30 ILE  QG2         5.50    (#   2833:25  Preassigned    4.35, 4.79 A)
 &rst
  ixpk= 2833, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2834    30 ILE  QG2         5.50    (#   2834:25  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 148, 628,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2835    30 ILE  QG2         7.00    (#   2835:25  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 485, 580,
 igr2= 438, 439, 440,
 &end
#
#   13 LYS  HN           30 ILE  QG2         5.50    (#   2836:25  Preassigned    3.89, 4.88 A)
 &rst
  ixpk= 2836, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HE3          30 ILE  QG2         4.50    (#   2837:25  Preassigned    2.34, 3.09 A)
 &rst
  ixpk= 2837, nxpk= 25, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HD1          30 ILE  QG2         5.50    (#   2839:25  Preassigned    5.72, 6.42 A)
 &rst
  ixpk= 2839, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   32 GLU  HA           30 ILE  QG2         5.50    (#   2840:25  Preassigned    4.60, 5.48 A)
 &rst
  ixpk= 2840, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HA           30 ILE  QG2         7.00    (#   2841:25  Preassigned    5.44, 6.69 A)
 &rst
  ixpk= 2841, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 438, 439, 440,
 &end
#
#   39 PRO  HA           30 ILE  QG2         5.50    (#   2842:25  Preassigned    2.47, 3.67 A)
 &rst
  ixpk= 2842, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HA           30 ILE  QG2         3.50    (#   2843:25  Preassigned    2.47, 3.11 A)
 &rst
  ixpk= 2843, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 438, 439, 440,
 &end
#
#   39 PRO  HD+          30 ILE  QG2         5.50    (#   2844:25  Preassigned    4.10, 5.72 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HB2          30 ILE  QG2         5.50    (#   2845:25  Preassigned    3.40, 5.00 A)
 &rst
  ixpk= 2845, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HB3          30 ILE  QG2         5.50    (#   2846:25  Preassigned    2.45, 3.73 A)
 &rst
  ixpk= 2846, nxpk= 25, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   35 BTL  H5           30 ILE  QG2         5.50    (#   2847:25  Preassigned    5.19, 5.83 A)
 &rst
  ixpk= 2847, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2848    30 ILE  QG2         4.50    (#   2848:25  Single Ambig)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 587, 588, 185, 186,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2849    30 ILE  QG2         4.50    (#   2849:25  Single Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 584, 585, 599,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HB           30 ILE  QG2         2.80    (#   2850:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 2850, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HG1+         30 ILE  QG2         4.50    (#   2851:25  Preassigned    2.62, 3.58 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443,
 igr2= 438, 439, 440,
 &end
#
#   31 LEU  HB2          30 ILE  QG2         5.50    (#   2852:25  Preassigned    4.33, 5.05 A)
 &rst
  ixpk= 2852, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   40 ILE  QD1          30 ILE  QG2         4.50    (#   2855:25  Preassigned    5.45, 6.98 A)
 &rst
  ixpk= 2855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 641, 642, 643,
 igr2= 438, 439, 440,
 &end
#
#   32 GLU  HB3          30 ILE  QG2         5.50    (#   2856:25  Unique         5.72, 6.92 A)
 &rst
  ixpk= 2856, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   22 ILE  HG1+         22 ILE  QG2         3.50    (#   2857:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2858    28 VAL  QG1         7.00    (#   2858:25  Single Ambig)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 673, 367,
 igr2= 412, 413, 414,
 &end
#
#   17 LYS  HN           16 VAL  QG2         5.50    (#   2859:25  Preassigned    3.91, 4.71 A)
 &rst
  ixpk= 2859, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   16 HID  HN           15 VAL  QG2         5.50    (#   2860:25  Preassigned    2.63, 3.69 A)
 &rst
  ixpk= 2860, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   16 VAL  HN           16 VAL  QG2         3.50    (#   2861:25  Preassigned    2.23, 2.91 A)
 &rst
  ixpk= 2861, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2862    16 VAL  QG2         4.50    (#   2862:25  Single Ambig)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 229, 212,
 igr2= 237, 238, 239,
 &end
#
#   17 LYS  HA           16 VAL  QG2         5.50    (#   2863:25  Preassigned    4.17, 5.26 A)
 &rst
  ixpk= 2863, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   14 VAL  HA           16 VAL  QG2         5.50    (#   2864:25  Preassigned    4.05, 4.96 A)
 &rst
  ixpk= 2864, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2865    16 VAL  QG2         5.50    (#   2865:25  Single Ambig)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 803, 198,
 igr2= 237, 238, 239,
 &end
#
#   28 VAL  HA           16 VAL  QG2         5.50    (#   2866:25  Preassigned    3.44, 4.49 A)
 &rst
  ixpk= 2866, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2867    16 VAL  QG2         5.50    (#   2867:25  Single Ambig)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 214, 287,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2868    16 VAL  QG2         2.80    (#   2868:25  Single Ambig)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 410,
 igr2= 237, 238, 239,
 &end
#
#   29 ALA  QB           16 VAL  QG2         5.50    (#   2869:25  Preassigned    3.94, 5.75 A)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 237, 238, 239,
 &end
#
#   17 LYS  HG-          16 VAL  QG2         7.00    (#   2870:25  Unique         5.53, 6.75 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 250, 251,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2871    16 VAL  QG2         3.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 807, 200, 201, 202,
 igr2= 237, 238, 239,
 &end
#
#   48 VAL  QG2          16 VAL  QG2         4.50    (#   2873:25  Preassigned    3.24, 5.39 A)
 &rst
  ixpk= 2873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 756, 757, 758,
 igr2= 237, 238, 239,
 &end
#
#   42 ALA  HA           22 ILE  QG2         5.50    (#   2875:25  Unique         5.21, 6.45 A)
 &rst
  ixpk= 2875, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2876    22 ILE  QG2         4.50    (#   2876:25  Single Ambig)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 311, 746,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2877    22 ILE  QG2         5.50    (#   2877:25  Single Ambig)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 294, 243, 663,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2878    22 ILE  QG2         5.50    (#   2878:25  Single Ambig)
 &rst
  ixpk= 2878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 330, 720,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HE21         22 ILE  QG2         5.50    (#   2879:25  Preassigned    2.26, 3.46 A)
 &rst
  ixpk= 2879, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HE22         22 ILE  QG2         5.50    (#   2880:25  Preassigned    2.55, 4.36 A)
 &rst
  ixpk= 2880, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HA           22 ILE  QG2         3.50    (#   2881:25  Preassigned    2.39, 3.10 A)
 &rst
  ixpk= 2881, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 317, 318, 319,
 &end
#
#   16 VAL  HA           22 ILE  QG2         5.50    (#   2882:25  Preassigned    4.60, 4.80 A)
 &rst
  ixpk= 2882, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HA           22 ILE  QG2         5.50    (#   2883:25  Preassigned    5.38, 6.42 A)
 &rst
  ixpk= 2883, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HB3          22 ILE  QG2         5.50    (#   2884:25  Preassigned    3.43, 4.41 A)
 &rst
  ixpk= 2884, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HB2          22 ILE  QG2         5.50    (#   2885:25  Preassigned    5.06, 5.93 A)
 &rst
  ixpk= 2885, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2886    22 ILE  QG2         4.50    (#   2886:25  Single Ambig)
 &rst
  ixpk= 2886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 231, 301, 302,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HB3          22 ILE  QG2         5.50    (#   2887:25  Preassigned    4.17, 4.95 A)
 &rst
  ixpk= 2887, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HB           22 ILE  QG2         2.80    (#   2888:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 2888, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HG1-         22 ILE  QG2         4.50    (#   2889:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 317, 318, 319,
 &end
#
#   48 VAL  QG2          22 ILE  QG2         2.80    (#   2890:25  Preassigned    2.34, 3.68 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 757, 758,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2891    22 ILE  QG2         4.50    (#   2891:25  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 729,
 igr2= 317, 318, 319,
 &end
#
#   66 LEU  HB+          28 VAL  QG1         5.50    (#   2892:25  Unique         5.52, 6.86 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 412, 413, 414,
 &end
#
#   68 LEU  QD2          22 ILE  QG2         4.50    (#   2894:25  Preassigned    4.66, 5.85 A)
 &rst
  ixpk= 2894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1081,1082,1083,
 igr2= 317, 318, 319,
 &end
#
#   29 ALA  HA           28 VAL  QG1         7.00    (#   2895:25  Preassigned    6.68, 6.96 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 412, 413, 414,
 &end
#
#   23 GLU  HB3          22 ILE  QG2         7.00    (#   2896:25  Preassigned    6.14, 6.99 A)
 &rst
  ixpk= 2896, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HG1-         28 VAL  QG1         5.50    (#   2898:25  Preassigned    4.64, 5.45 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HN           28 VAL  QG1         4.50    (#   2899:25  Preassigned    2.95, 3.85 A)
 &rst
  ixpk= 2899, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   42 ALA  HN           28 VAL  QG1         5.50    (#   2900:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2900, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   15 HID  HN           28 VAL  QG1         5.50    (#   2901:25  Preassigned    5.47, 6.19 A)
 &rst
  ixpk= 2901, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   29 ALA  HN           28 VAL  QG1         4.50    (#   2902:25  Preassigned    4.72, 5.19 A)
 &rst
  ixpk= 2902, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2904    28 VAL  QG1         5.50    (#   2904:25  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 649, 229,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HA           28 VAL  QG1         4.50    (#   2905:25  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 2905, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   28 GLU  HA           27 VAL  QG1         5.50    (#   2906:25  Preassigned    4.02, 5.03 A)
 &rst
  ixpk= 2906, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   42 ALA  HA           28 VAL  QG1         5.50    (#   2907:25  Preassigned    3.04, 3.95 A)
 &rst
  ixpk= 2907, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HB           28 VAL  QG1         2.80    (#   2908:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2908, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 412, 413, 414,
 &end
#
#   28 GLU  HG-          27 VAL  QG1         5.50    (#   2909:25  Preassigned    5.68, 6.51 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 398, 399,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2910    28 VAL  QG1         7.00    (#   2910:25  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 651,  22,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2911    28 VAL  QG1         5.50    (#   2911:25  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1038,1039, 632,
 igr2= 412, 413, 414,
 &end
#
#   29 ALA  QB           28 VAL  QG1         5.50    (#   2912:25  Preassigned    6.48, 7.23 A)
 &rst
  ixpk= 2912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 412, 413, 414,
 &end
#
#   73 GLN  HN           72 THR  HB          5.50    (#   2916:25  Preassigned    2.39, 3.20 A)
 &rst
  ixpk= 2916, nxpk= 25, iat=1137,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  HA           72 THR  HB          5.50    (#   2917:25  Preassigned    2.47, 2.60 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=1125,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HA           72 THR  HB          7.00    (#   2918:25  Preassigned    4.02, 4.62 A)
 &rst
  ixpk= 2918, nxpk= 25, iat=1139,1127, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 THR  QG2          72 THR  HB          4.50    (#   2920:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1129,1130,1131,
 &end
#
#   19 GLY  HN           18 ALA  QB          4.50    (#   2922:25  Preassigned    2.98, 3.85 A)
 &rst
  ixpk= 2922, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   51 VAL  HN           18 ALA  QB          5.50    (#   2923:25  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 2923, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   18 ALA  HN           18 ALA  QB          2.80    (#   2924:25  Preassigned    2.49, 2.89 A)
 &rst
  ixpk= 2924, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#   18 LYS  HA           17 ALA  QB          5.50    (#   2925:25  Preassigned    4.75, 5.22 A)
 &rst
  ixpk= 2925, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   50 GLU  HA           18 ALA  QB          4.50    (#   2926:25  Preassigned    2.52, 3.71 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   18 ALA  HA           18 ALA  QB          2.80    (#   2927:25  Preassigned    2.46, 2.66 A)
 &rst
  ixpk= 2927, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:2928    18 ALA  QB          5.50    (#   2928:25  Single Ambig)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 247, 248, 789,
 igr2= 269, 270, 271,
 &end
#
#   51 VAL  QG2          18 ALA  QB          4.50    (#   2929:25  Preassigned    2.92, 5.65 A)
 &rst
  ixpk= 2929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 809, 810, 811,
 igr2= 269, 270, 271,
 &end
#
#   48 VAL  QG1          18 ALA  QB          4.50    (#   2930:25  Preassigned    3.81, 5.43 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 752, 753, 754,
 igr2= 269, 270, 271,
 &end
#
#   20 ASP  HN           18 ALA  QB          5.50    (#   2931:25  Preassigned    5.18, 5.43 A)
 &rst
  ixpk= 2931, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   50 GLU  HN           18 ALA  QB          5.50    (#   2932:25  Preassigned    4.68, 5.71 A)
 &rst
  ixpk= 2932, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   19 GLY  HA-          18 ALA  QB          5.50    (#   2933:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 269, 270, 271,
 &end
#
#   48 VAL  HB           18 ALA  QB          5.50    (#   2934:25  Preassigned    5.19, 5.60 A)
 &rst
  ixpk= 2934, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:2935     0 AMB  25-1:2935   5.50    (#   2935:25  Double Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 503, 504, 570, 571,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    7 MET  QG           36 MET  QE          5.50    (#   2937:25  Preassigned    4.40, 5.73 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 574, 575, 576,
 &end
#
#    8 ALA  QB           34 MET  QE          5.50    (#   2940:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 102, 103, 104,
 igr2= 507, 508, 509,
 &end
#
#    7 MET  HN            7 MET  QE          7.00    (#   2941:25  Preassigned    5.64, 6.92 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  92,  93,  94,
 &end
#
#   31 LEU  HB3           7 MET  QE          5.50    (#   2942:25  Preassigned    5.26, 6.63 A)
 &rst
  ixpk= 2942, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:2943    38 ILE  QG2         5.50    (#   2943:25  Single Ambig)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 628, 647,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HN           38 ILE  QG2         5.50    (#   2944:25  Preassigned    4.57, 4.85 A)
 &rst
  ixpk= 2944, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2945    38 ILE  QG2         5.50    (#   2945:25  Single Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 451,  64,
 igr2= 601, 602, 603,
 &end
#
#    6 GLN  HE21         38 ILE  QG2         5.50    (#   2946:25  Preassigned    5.02, 5.76 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#    6 GLN  HE22         38 ILE  QG2         5.50    (#   2947:25  Preassigned    5.06, 6.02 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HA           38 ILE  QG2         3.50    (#   2948:25  Preassigned    2.47, 2.98 A)
 &rst
  ixpk= 2948, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2949    38 ILE  QG2         5.50    (#   2949:25  Single Ambig)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 434, 582,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HD+          38 ILE  QG2         5.50    (#   2950:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HD-          38 ILE  QG2         4.50    (#   2951:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 615, 616,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2952    38 ILE  QG2         5.50    (#   2952:25  Single Ambig)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  72, 621, 622,
 igr2= 601, 602, 603,
 &end
#
#    7 MET  QG           38 ILE  QG2         5.50    (#   2953:25  Preassigned    3.92, 5.96 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HG-          38 ILE  QG2         5.50    (#   2954:25  Preassigned    3.81, 5.36 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 618, 619,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HG+          38 ILE  QG2         5.50    (#   2955:25  Unique         3.81, 5.36 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 618, 619,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HB           38 ILE  QG2         2.80    (#   2956:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 2956, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2957    38 ILE  QG2         5.50    (#   2957:25  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 621, 622, 456,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HG1+         38 ILE  QG2         3.50    (#   2958:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 601, 602, 603,
 &end
#
#   40 ILE  HG1-         38 ILE  QG2         5.50    (#   2959:25  Preassigned    4.43, 5.95 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HG1-         38 ILE  QG2         3.50    (#   2960:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 601, 602, 603,
 &end
#
#   30 ILE  QG2          38 ILE  QG2         5.50    (#   2961:25  Preassigned    5.82, 7.43 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 438, 439, 440,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2962    38 ILE  QG2         4.50    (#   2962:25  Single Ambig)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 601, 602, 603,
 &end
#
#   40 ILE  HA           38 ILE  QG2         5.50    (#   2963:25  Preassigned    4.53, 5.66 A)
 &rst
  ixpk= 2963, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   49 LYS  HN           47 ILE  QG2         5.50    (#   2964:25  Preassigned    4.46, 5.90 A)
 &rst
  ixpk= 2964, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2965     0 AMB  25-1:2965   5.50    (#   2965:25  Double Ambig)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 275,  64,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#    0 AMB  25-3:2966     0 AMB  25-1:2966   5.50    (#   2966:25  Double Ambig)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1087, 406,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   48 VAL  HN           47 ILE  QG2         4.50    (#   2967:25  Preassigned    2.83, 3.50 A)
 &rst
  ixpk= 2967, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 &end
#
#   47 ILE  HN           47 ILE  QG2         5.50    (#   2968:25  Preassigned    4.11, 4.62 A)
 &rst
  ixpk= 2968, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2969    47 ILE  QG2         3.50    (#   2969:25  Single Ambig)
 &rst
  ixpk= 2969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 729, 296,
 igr2= 733, 734, 735,
 &end
#
#   19 GLY  HA+          47 ILE  QG2         5.50    (#   2970:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 733, 734, 735,
 &end
#
#   69 SER  QB           47 ILE  QG2         5.50    (#   2971:25  Preassigned    3.03, 5.17 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1091,1092,
 igr2= 733, 734, 735,
 &end
#
#   48 VAL  HA           47 ILE  QG2         5.50    (#   2972:25  Preassigned    4.42, 5.35 A)
 &rst
  ixpk= 2972, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   48 VAL  HB           47 ILE  QG2         5.50    (#   2973:25  Unique         4.24, 4.97 A)
 &rst
  ixpk= 2973, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2974     0 AMB  25-1:2974   3.50    (#   2974:25  Double Ambig)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 737, 738,  55,  56,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   20 ASP  HN           47 ILE  QG2         5.50    (#   2975:25  Preassigned    3.09, 4.88 A)
 &rst
  ixpk= 2975, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   18 ALA  HA           47 ILE  QG2         5.50    (#   2976:25  Preassigned    5.06, 6.20 A)
 &rst
  ixpk= 2976, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   19 GLY  HA-          47 ILE  QG2         4.50    (#   2977:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 2977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 277, 278,
 igr2= 733, 734, 735,
 &end
#
#   21 GLN  QB           47 ILE  QG2         5.50    (#   2978:25  Preassigned    3.90, 6.20 A)
 &rst
  ixpk= 2978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298, 299,
 igr2= 733, 734, 735,
 &end
#
#   33 SER  HG            0 AMB  25-1:2979   5.50    (#   2979:25  Single Ambig)
 &rst
  ixpk= 2979, nxpk= 25, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    9 GLY  HA-          36 MET  QE          5.50    (#   2980:25  Preassigned    6.68, 7.36 A)
 &rst
  ixpk= 2980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 574, 575, 576,
 &end
#
#    7 MET  QG            7 MET  QE          4.50    (#   2981:25  Preassigned    2.44, 3.35 A)
 &rst
  ixpk= 2981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HG+          34 MET  QE          5.50    (#   2982:25  Preassigned    2.49, 3.25 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 503, 504,
 igr2= 507, 508, 509,
 &end
#
#    0 AMB  25-3:2984     0 AMB  25-1:2984   5.50    (#   2984:25  Double Ambig)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 485, 580,
 igr2= 574, 575, 576, 507, 508, 509,
 &end
#
#    0 AMB  25-3:2985     0 AMB  25-1:2985   5.50    (#   2985:25  Double Ambig)
 &rst
  ixpk= 2985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 108, 563,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    0 AMB  25-3:2986     0 AMB  25-1:2986   5.50    (#   2986:25  Double Ambig)
 &rst
  ixpk= 2986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 565,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#   33 SER  HB3          36 MET  QE          5.50    (#   2987:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2987, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  HG1+         36 MET  QE          5.50    (#   2988:25  Preassigned    4.41, 6.05 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  HG1-         36 MET  QE          5.50    (#   2990:25  Preassigned    4.41, 6.05 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  QD1          36 MET  QE          5.50    (#   2993:25  Preassigned    2.92, 5.47 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 608, 609, 610,
 igr2= 574, 575, 576,
 &end
#
#   34 MET  HN           34 MET  QE          5.50    (#   2995:25  Preassigned    3.59, 4.54 A)
 &rst
  ixpk= 2995, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#    9 GLY  HA+          34 MET  QE          5.50    (#   2996:25  Unique         2.37, 4.24 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 507, 508, 509,
 &end
#
#   33 SER  HB3          36 MET  QE          5.50    (#   2997:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2997, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#    8 ALA  QB           34 MET  QE          5.50    (#   2998:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 102, 103, 104,
 igr2= 507, 508, 509,
 &end
#
#   38 ILE  QD1          36 MET  QE          5.50    (#   2999:25  Preassigned    2.92, 5.47 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 608, 609, 610,
 igr2= 574, 575, 576,
 &end
#
#    10 ASN  HB2          34 MET  QE          5.50    (#   3001:25  Preassigned    5.84, 6.79 A)
 &rst
  ixpk= 3001, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#    8 ALA  HA            7 MET  QE          7.00    (#   3003:25  Preassigned    4.89, 5.93 A)
 &rst
  ixpk= 3003, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB2           7 MET  QE          5.50    (#   3004:25  Preassigned    3.24, 4.38 A)
 &rst
  ixpk= 3004, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1+          7 MET  QE          5.50    (#   3006:25  Preassigned    3.96, 6.11 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1-          7 MET  QE          5.50    (#   3007:25  Preassigned    3.96, 6.11 A)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  QD1           7 MET  QE          4.50    (#   3009:25  Preassigned    2.69, 4.55 A)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 608, 609, 610,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HN            7 MET  QE          5.50    (#   3010:25  Unique         5.39, 6.52 A)
 &rst
  ixpk= 3010, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    8 ALA  HN            7 MET  QE          5.50    (#   3011:25  Preassigned    2.84, 3.79 A)
 &rst
  ixpk= 3011, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    7 MET  HA            7 MET  QE          5.50    (#   3012:25  Preassigned    4.15, 4.99 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB3           7 MET  QE          5.50    (#   3013:25  Preassigned    2.13, 2.97 A)
 &rst
  ixpk= 3013, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:3015     7 MET  QE          5.50    (#   3015:25  Single Ambig)
 &rst
  ixpk= 3015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:3017     7 MET  QE          4.50    (#   3017:25  Single Ambig)
 &rst
  ixpk= 3017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 567, 500, 501,
 igr2=  92,  93,  94,
 &end
#
#   43 ASP  HN           40 ILE  QG2         5.50    (#   3018:25  Preassigned    5.25, 6.24 A)
 &rst
  ixpk= 3018, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3020    40 ILE  QG2         4.50    (#   3020:25  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 647, 628,
 igr2= 634, 635, 636,
 &end
#
#   29 ALA  HN           40 ILE  QG2         5.50    (#   3021:25  Preassigned    3.89, 4.83 A)
 &rst
  ixpk= 3021, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3022    40 ILE  QG2         5.50    (#   3022:25  Single Ambig)
 &rst
  ixpk= 3022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  22, 651,
 igr2= 634, 635, 636,
 &end
#
#   40 ILE  HG1+         40 ILE  QG2         3.50    (#   3023:25  Preassigned    2.43, 3.50 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#    4 SER  HN           40 ILE  QG2         7.00    (#   3024:25  Preassigned    5.63, 6.16 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 634, 635, 636,
 &end
#
#   41 VAL  HA           40 ILE  QG2         5.50    (#   3025:25  Preassigned    4.25, 5.33 A)
 &rst
  ixpk= 3025, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#   20 ASP  HA           47 ILE  QG2         5.50    (#   3026:25  Preassigned    3.72, 5.46 A)
 &rst
  ixpk= 3026, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   40 ILE  HA           40 ILE  QG2         3.50    (#   3027:25  Preassigned    2.38, 3.05 A)
 &rst
  ixpk= 3027, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3028     0 AMB  25-1:3028   5.50    (#   3028:25  Double Ambig)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 665, 722, 723,
 igr2= 634, 635, 636, 733, 734, 735,
 &end
#
#    5 ILE  HA           40 ILE  QG2         5.50    (#   3029:25  Preassigned    3.22, 4.27 A)
 &rst
  ixpk= 3029, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3030     0 AMB  25-1:3030   2.80    (#   3030:25  Double Ambig)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 731, 632,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   29 ALA  QB           40 ILE  QG2         3.50    (#   3031:25  Preassigned    3.10, 5.02 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 427, 428,
 igr2= 634, 635, 636,
 &end
#
#   40 ILE  HG1-         40 ILE  QG2         3.50    (#   3032:25  Preassigned    2.43, 3.50 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#    5 ILE  QG2          40 ILE  QG2         4.50    (#   3033:25  Unique         4.44, 6.43 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  51,  52,  53,
 igr2= 634, 635, 636,
 &end
#
#   31 LEU  HG           40 ILE  QG2         4.50    (#   3034:25  Preassigned    4.40, 5.28 A)
 &rst
  ixpk= 3034, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3035    22 ILE  QD1         5.50    (#   3035:25  Single Ambig)
 &rst
  ixpk= 3035, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 673, 367,
 igr2= 324, 325, 326,
 &end
#
#   20 ASP  HB3          22 ILE  QD1         7.00    (#   3036:25  Preassigned    5.45, 6.81 A)
 &rst
  ixpk= 3036, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 324, 325, 326,
 &end
#
#   13 LYS  HE-          30 ILE  QD1         5.50    (#   3038:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 3038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 185, 186,
 igr2= 445, 446, 447,
 &end
#
#   27 GLU  HG+          30 ILE  QD1         5.50    (#   3039:25  Preassigned    4.26, 5.31 A)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 398, 399,
 igr2= 445, 446, 447,
 &end
#
#   27 GLU  HB3          30 ILE  QD1         5.50    (#   3040:25  Unique         5.85, 6.96 A)
 &rst
  ixpk= 3040, nxpk= 25, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    5 SER  HB2           4 ILE  QD1         5.50    (#   3041:25  Preassigned    5.62, 7.41 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:3042     0 AMB  25-1:3042   5.50    (#   3042:25  Double Ambig)
 &rst
  ixpk= 3042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1001, 615, 616,
 igr2=  58,  59,  60, 641, 642, 643,
 &end
#
#   15 HID  HD2          30 ILE  QD1         5.50    (#   3043:25  Preassigned    4.16, 5.03 A)
 &rst
  ixpk= 3043, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   66 LEU  HN            5 ILE  QD1         7.00    (#   3044:25  Preassigned    5.32, 7.10 A)
 &rst
  ixpk= 3044, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#   29 ALA  HN            0 AMB  25-1:3045   7.00    (#   3045:25  Single Ambig)
 &rst
  ixpk= 3045, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:3047    38 ILE  QD1         5.50    (#   3047:25  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 451,  64,
 igr2= 608, 609, 610,
 &end
#
#   12 TRP  HE1          30 ILE  QD1         5.50    (#   3050:25  Preassigned    5.11, 6.27 A)
 &rst
  ixpk= 3050, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   65 LEU  HB2           0 AMB  25-1:3051   5.50    (#   3051:25  Single Ambig)
 &rst
  ixpk= 3051, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#   24 LYS  HB3          45 SER  HB2         5.50    (#   3052:25  Preassigned    5.30, 5.56 A)
 &rst
  ixpk= 3052, nxpk= 25, iat= 350, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3053    45 SER  HB2         5.50    (#   3053:25  Single Ambig)
 &rst
  ixpk= 3053, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 349, 692, 693,
 &end
#
#    0 AMB  25-3:3054    45 SER  HB3         5.50    (#   3054:25  Single Ambig)
 &rst
  ixpk= 3054, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 349, 692, 693,
 &end
#
#   24 LYS  QG           45 SER  HB2         7.00    (#   3055:25  Preassigned    6.61, 7.18 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 352, 353,
 &end
#
#    5 ILE  HG1-          0 AMB  25-1:3056   5.50    (#   3056:25  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56,
 igr2=  39,  38,
 &end
#
#   23 GLU  HB2          45 SER  HB3         5.50    (#   3058:25  Preassigned    4.06, 4.22 A)
 &rst
  ixpk= 3058, nxpk= 25, iat= 334, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HA+           4 SER  HB2         5.50    (#   3059:25  Preassigned    3.63, 4.77 A)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 982, 983,
 &end
#
#   46 GLY  HA+          45 SER  HB3         5.50    (#   3062:25  Preassigned    4.03, 4.62 A)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   21 GLN  HE21         45 SER  HB3         5.50    (#   3063:25  Preassigned    3.17, 3.79 A)
 &rst
  ixpk= 3063, nxpk= 25, iat= 306, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HA-          47 ILE  QD1         5.50    (#   3067:25  Preassigned    4.28, 6.40 A)
 &rst
  ixpk= 3067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 740, 741, 742,
 &end
#
#   47 GLY  HA-          46 ILE  QD1         5.50    (#   3068:25  Preassigned    4.45, 6.48 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2= 740, 741, 742,
 &end
#
#   47 GLY  HA+          46 ILE  QD1         5.50    (#   3069:25  Preassigned    4.45, 6.48 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2= 740, 741, 742,
 &end
#
#   19 GLY  HA+          47 ILE  QD1         5.50    (#   3071:25  Preassigned    4.28, 6.40 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HE22         47 ILE  QD1         5.50    (#   3072:25  Preassigned    3.72, 5.76 A)
 &rst
  ixpk= 3072, nxpk= 25, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HE21         47 ILE  QD1         5.50    (#   3073:25  Preassigned    3.25, 5.55 A)
 &rst
  ixpk= 3073, nxpk= 25, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#    0 AMB  25-3:3075    48 VAL  HA          4.50    (#   3075:25  Single Ambig)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   69 LEU  HA           68 SER  QB          5.50    (#   3077:25  Preassigned    4.51, 5.24 A)
 &rst
  ixpk= 3077, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   38 ILE  HG1-         33 SER  HB2         5.50    (#   3080:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    7 MET  QG           33 SER  HB2         5.50    (#   3081:25  Preassigned    4.03, 4.88 A)
 &rst
  ixpk= 3081, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    7 MET  QG           33 SER  HB3         5.50    (#   3082:25  Preassigned    3.13, 4.19 A)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#   33 GLU  HA           32 SER  HB3         5.50    (#   3083:25  Preassigned    5.53, 5.56 A)
 &rst
  ixpk= 3083, nxpk= 25, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HB2         5.50    (#   3084:25  Preassigned    3.52, 3.61 A)
 &rst
  ixpk= 3084, nxpk= 25, iat= 563, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HB3         5.50    (#   3085:25  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 3085, nxpk= 25, iat= 563, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN           33 SER  HB2         5.50    (#   3086:25  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 3086, nxpk= 25, iat= 115, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3087    33 SER  HB3         5.50    (#   3087:25  Single Ambig)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   15 HID  HB2          14 VAL  HA          5.50    (#   3088:25  Preassigned    4.28, 4.31 A)
 &rst
  ixpk= 3088, nxpk= 25, iat= 214, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           51 VAL  HA          7.00    (#   3089:25  Preassigned    5.96, 6.39 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1055, 801, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 SER  HA            3 VAL  HA          5.50    (#   3090:25  Preassigned    4.50, 4.52 A)
 &rst
  ixpk= 3090, nxpk= 25, iat=  36,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2           3 VAL  HA          3.50    (#   3091:25  Preassigned    2.61, 3.39 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  28,  29,  30,
 &end
#
#   40 ILE  HB           30 ILE  HA          5.50    (#   3092:25  Preassigned    3.83, 3.95 A)
 &rst
  ixpk= 3092, nxpk= 25, iat= 632, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          30 ILE  HA          5.50    (#   3093:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#   28 VAL  QG1          28 VAL  HA          4.50    (#   3094:25  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#    0 AMB  25-3:3095    28 VAL  HA          5.50    (#   3095:25  Single Ambig)
 &rst
  ixpk= 3095, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 237, 238, 239,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  QG2          28 VAL  HA          3.50    (#   3096:25  Preassigned    3.77, 3.97 A)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  HB           28 VAL  HA          3.50    (#   3097:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 3097, nxpk= 25, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HB2          28 VAL  HA          5.50    (#   3098:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 3098, nxpk= 25, iat= 214, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HB3          28 VAL  HA          5.50    (#   3099:25  Preassigned    3.91, 3.99 A)
 &rst
  ixpk= 3099, nxpk= 25, iat= 215, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3100    28 VAL  HA          4.50    (#   3100:25  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 229, 212,
 &end
#
#   15 HID  HD2          28 VAL  HA          5.50    (#   3101:25  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 3101, nxpk= 25, iat= 223, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           28 VAL  HA          5.50    (#   3102:25  Preassigned    3.56, 3.58 A)
 &rst
  ixpk= 3102, nxpk= 25, iat= 422, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           28 VAL  HA          5.50    (#   3103:25  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 3103, nxpk= 25, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3104     5 ILE  HA          5.50    (#   3104:25  Single Ambig)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    6 GLN  HG+           5 ILE  HA          5.50    (#   3105:25  Preassigned    3.77, 5.15 A)
 &rst
  ixpk= 3105, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   63 ASP  HB2          59 VAL  HA          5.50    (#   3107:25  Preassigned    3.62, 3.85 A)
 &rst
  ixpk= 3107, nxpk= 25, iat= 991, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           55 GLU  HA          5.50    (#   3108:25  Preassigned    4.82, 5.37 A)
 &rst
  ixpk= 3108, nxpk= 25, iat= 131, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H2           35 BTL  HA          5.50    (#   3109:25  Preassigned    2.39, 2.56 A)
 &rst
  ixpk= 3109, nxpk= 25, iat= 545, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           35 BTL  HA          5.50    (#   3110:25  Preassigned    4.14, 4.26 A)
 &rst
  ixpk= 3110, nxpk= 25, iat= 485, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE21         22 ILE  HA          5.50    (#   3111:25  Preassigned    3.42, 3.87 A)
 &rst
  ixpk= 3111, nxpk= 25, iat= 386, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HG+          35 BTL  HA          4.50    (#   3112:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   34 MET  HN           33 SER  HA          3.50    (#   3113:25  Preassigned    2.23, 2.31 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 496, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3114    33 SER  HA          5.50    (#   3114:25  Single Ambig)
 &rst
  ixpk= 3114, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   33 SER  HN           33 SER  HA          5.50    (#   3115:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 3115, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3116    33 SER  HA          5.50    (#   3116:25  Single Ambig)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 472, 117,
 &end
#
#    9 GLY  HA+          33 SER  HA          4.50    (#   3117:25  Preassigned    2.25, 2.46 A)
 &rst
  ixpk= 3117, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 110, 111,
 &end
#
#   33 SER  HB2          33 SER  HA          4.50    (#   3118:25  Preassigned    3.00, 3.01 A)
 &rst
  ixpk= 3118, nxpk= 25, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB3          33 SER  HA          4.50    (#   3119:25  Preassigned    2.58, 2.64 A)
 &rst
  ixpk= 3119, nxpk= 25, iat= 490, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HA          4.50    (#   3121:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 3121, nxpk= 25, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB3          15 HID  HA          4.50    (#   3122:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 3122, nxpk= 25, iat= 215, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HN           15 HID  HA          5.50    (#   3123:25  Preassigned    3.02, 3.06 A)
 &rst
  ixpk= 3123, nxpk= 25, iat= 227, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HG-          26 GLN  HA          4.50    (#   3124:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 3124, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   48 VAL  HA           67 GLU  HA          7.00    (#   3125:25  Preassigned    5.62, 5.81 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 748,1055, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   38 ILE  QD1          32 GLU  HA          5.50    (#   3126:25  Preassigned    4.10, 6.68 A)
 &rst
  ixpk= 3126, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  25-3:3127    32 GLU  HA          5.50    (#   3127:25  Single Ambig)
 &rst
  ixpk= 3127, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:3128    67 GLU  HA          5.50    (#   3128:25  Single Ambig)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   52 LYS  HG+          67 GLU  HA          5.50    (#   3129:25  Preassigned    4.57, 5.18 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   67 GLU  HB2          67 GLU  HA          4.50    (#   3130:25  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=1057,1055, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3131    32 GLU  HA          5.50    (#   3131:25  Single Ambig)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 115, 148,
 &end
#
#    0 AMB  25-3:3132     7 MET  HA          5.50    (#   3132:25  Single Ambig)
 &rst
  ixpk= 3132, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   44 ARG  HG-          44 ARG  HA          4.50    (#   3133:25  Preassigned    2.76, 3.86 A)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 692, 693,
 &end
#
#    7 MET  HB+           7 MET  HA          3.50    (#   3134:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#   24 LYS  QE           44 ARG  HA          5.50    (#   3135:25  Preassigned    2.29, 4.23 A)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#   24 LYS  HA           44 ARG  HA          5.50    (#   3136:25  Preassigned    3.00, 3.47 A)
 &rst
  ixpk= 3136, nxpk= 25, iat= 347, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HG+          36 MET  HA          5.50    (#   3137:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 570, 571,
 &end
#
#   50 GLU  HN           18 ALA  HA          5.50    (#   3139:25  Preassigned    4.23, 4.38 A)
 &rst
  ixpk= 3139, nxpk= 25, iat= 784, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HD-          13 LYS  HA          5.50    (#   3140:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 3140, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   14 VAL  QG2          13 LYS  HA          5.50    (#   3141:25  Preassigned    3.52, 4.57 A)
 &rst
  ixpk= 3141, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   54 LYS  QB           54 LYS  HA          2.80    (#   3142:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 863, 864,
 &end
#
#   48 VAL  QG2          68 LEU  HA          5.50    (#   3143:25  Preassigned    4.58, 5.42 A)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  25-3:3144    68 LEU  HA          5.50    (#   3144:25  Single Ambig)
 &rst
  ixpk= 3144, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   42 VAL  HA           41 ALA  HA          5.50    (#   3145:25  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 3145, nxpk= 25, iat= 649, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3146     10 ASN  HA          5.50    (#   3146:25  Single Ambig)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 919, 152,
 &end
#
#   53 LYS  HG-          53 LYS  HA          5.50    (#   3147:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   53 LYS  HB2          53 LYS  HA          5.50    (#   3148:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 3148, nxpk= 25, iat= 841, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG+          53 LYS  HA          5.50    (#   3149:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   53 LYS  HD+          53 LYS  HA          5.50    (#   3150:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    0 AMB  25-3:3151    53 LYS  HA          5.50    (#   3151:25  Single Ambig)
 &rst
  ixpk= 3151, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 941, 942, 943, 204, 205, 206,
 &end
#
#   53 LYS  HB3          53 LYS  HA          4.50    (#   3152:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 3152, nxpk= 25, iat= 842, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD-          53 LYS  HA          4.50    (#   3153:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HA          5.50    (#   3154:25  Preassigned    4.27, 4.72 A)
 &rst
  ixpk= 3154, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   53 LYS  HN           53 LYS  HA          5.50    (#   3155:25  Preassigned    2.93, 2.95 A)
 &rst
  ixpk= 3155, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HA          3.50    (#   3156:25  Preassigned    2.58, 2.63 A)
 &rst
  ixpk= 3156, nxpk= 25, iat= 859, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HB3           10 ASN  HA          7.00    (#   3157:25  Preassigned    4.69, 4.83 A)
 &rst
  ixpk= 3157, nxpk= 25, iat= 134, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:3158     10 ASN  HA          5.50    (#   3158:25  Single Ambig)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 153,
 &end
#
#   32 GLU  HN            10 ASN  HA          5.50    (#   3159:25  Preassigned    4.94, 4.98 A)
 &rst
  ixpk= 3159, nxpk= 25, iat= 470, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           39 PRO  HD-         5.50    (#   3160:25  Preassigned    5.80, 6.27 A)
 &rst
  ixpk= 3160, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:3161    39 PRO  HD-         5.50    (#   3161:25  Single Ambig)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 582, 434,
 igr2= 615, 616,
 &end
#
#   16 VAL  HN           29 ALA  HA          5.50    (#   3162:25  Preassigned    5.31, 5.35 A)
 &rst
  ixpk= 3162, nxpk= 25, iat= 227, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB-          60 ASN  HA          4.50    (#   3163:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB+          60 ASN  HA          4.50    (#   3164:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#    0 AMB  25-3:3165    60 ASN  HA          5.50    (#   3165:25  Single Ambig)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937,  83,
 &end
#
#    0 AMB  25-3:3167    60 ASN  HA          5.50    (#   3167:25  Single Ambig)
 &rst
  ixpk= 3167, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  81, 925, 929,
 &end
#
#    0 AMB  25-3:3168    60 ASN  HA          3.50    (#   3168:25  Single Ambig)
 &rst
  ixpk= 3168, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 951,
 &end
#
#    8 ALA  QB           60 ASN  HA          4.50    (#   3169:25  Preassigned    3.77, 4.30 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  QG2          59 ASN  HA          5.50    (#   3170:25  Preassigned    4.19, 5.36 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   59 VAL  HN            8 ALA  HA          5.50    (#   3171:25  Preassigned    5.10, 5.14 A)
 &rst
  ixpk= 3171, nxpk= 25, iat= 935, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HD            9 GLY  HA+         5.50    (#   3173:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 3173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#   58 PHE  HD            9 GLY  HA-         5.50    (#   3174:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:3175     9 GLY  HA-         5.50    (#   3175:25  Single Ambig)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 117, 472,
 igr2= 110, 111,
 &end
#
#   33 SER  HB3           9 GLY  HA+         5.50    (#   3178:25  Preassigned    4.21, 4.39 A)
 &rst
  ixpk= 3178, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    10 ASN  HB2           9 GLY  HA-         5.50    (#   3179:25  Preassigned    4.49, 4.72 A)
 &rst
  ixpk= 3179, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:3180    46 GLY  HA-         5.50    (#   3180:25  Single Ambig)
 &rst
  ixpk= 3180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:3181    46 GLY  HA-         5.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:3182     0 AMB  25-1:3182   5.50    (#   3182:25  Double Ambig)
 &rst
  ixpk= 3182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723, 722, 723,
 &end
#
#    0 AMB  25-3:3183     0 AMB  25-1:3183   5.50    (#   3183:25  Double Ambig)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 740, 741, 742, 608, 609, 610,
 igr2= 722, 723, 110, 111,
 &end
#
#   25 LYS  QG           24 GLY  HA+         5.50    (#   3184:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   62 GLU  HG-          61 GLY  HA+         5.50    (#   3185:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 972, 973,
 igr2= 982, 983,
 &end
#
#   62 GLU  HG-          61 GLY  HA+         5.50    (#   3186:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 972, 973,
 igr2= 982, 983,
 &end
#
#    0 AMB  25-3:3187     0 AMB  25-1:3187   5.50    (#   3187:25  Double Ambig)
 &rst
  ixpk= 3187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 350, 731, 355, 356,
 igr2= 369, 370, 277, 278,
 &end
#
#   48 VAL  HB           19 GLY  HA-         5.50    (#   3188:25  Preassigned    4.29, 4.86 A)
 &rst
  ixpk= 3188, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#    0 AMB  25-3:3189    25 GLY  HA-         5.50    (#   3189:25  Single Ambig)
 &rst
  ixpk= 3189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 663, 647,
 igr2= 369, 370,
 &end
#
#    4 SER  HN           62 GLY  HA-         7.00    (#   3190:25  Preassigned    6.20, 7.32 A)
 &rst
  ixpk= 3190, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 982, 983,
 &end
#
#    3 VAL  HB           66 LEU  HB+         4.50    (#   3191:25  Preassigned    2.05, 2.72 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   52 LYS  HN           66 LEU  HB+         5.50    (#   3192:25  Preassigned    4.64, 5.28 A)
 &rst
  ixpk= 3192, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   52 LYS  HN           66 LEU  HB-         5.50    (#   3193:25  Preassigned    4.64, 5.28 A)
 &rst
  ixpk= 3193, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   48 VAL  HA           68 LEU  HB2         5.50    (#   3194:25  Preassigned    4.80, 4.94 A)
 &rst
  ixpk= 3194, nxpk= 25, iat= 748,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HB2         5.50    (#   3195:25  Preassigned    5.52, 6.19 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   46 GLY  HA-          68 LEU  HB2         5.50    (#   3196:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   48 VAL  HA           68 LEU  HB3         5.50    (#   3197:25  Preassigned    3.53, 3.75 A)
 &rst
  ixpk= 3197, nxpk= 25, iat= 748,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HB3         5.50    (#   3198:25  Preassigned    4.65, 5.43 A)
 &rst
  ixpk= 3198, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   46 GLY  HA+          68 LEU  HB3         5.50    (#   3199:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   69 SER  HA           68 LEU  HB2         5.50    (#   3200:25  Preassigned    4.37, 4.97 A)
 &rst
  ixpk= 3200, nxpk= 25, iat=1089,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           68 LEU  HB2         5.50    (#   3201:25  Preassigned    4.80, 4.94 A)
 &rst
  ixpk= 3201, nxpk= 25, iat= 748,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          68 LEU  HB2         5.50    (#   3202:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 3202, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   68 LEU  QD2          68 LEU  HB3         5.50    (#   3204:25  Preassigned    2.56, 3.21 A)
 &rst
  ixpk= 3204, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   68 GLU  HA           67 LEU  HB3         5.50    (#   3206:25  Preassigned    5.46, 5.51 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  QE          5.50    (#   3211:25  Preassigned    2.11, 3.24 A)
 &rst
  ixpk= 3211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 247, 248,
 igr2= 256, 257,
 &end
#
#   53 LYS  HB3          53 LYS  QE          5.50    (#   3212:25  Preassigned    4.18, 4.50 A)
 &rst
  ixpk= 3212, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#    0 AMB  25-3:3213     0 AMB  25-1:3213   5.50    (#   3213:25  Double Ambig)
 &rst
  ixpk= 3213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 520, 521, 540,
 igr2= 526, 527, 526, 527,
 &end
#
#   35 BTL  HA           35 BTL  HE-         5.50    (#   3215:25  Preassigned    3.98, 5.58 A)
 &rst
  ixpk= 3215, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-3:3218     0 AMB  25-1:3218   5.50    (#   3218:25  Double Ambig)
 &rst
  ixpk= 3218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 174, 434,
 igr2= 185, 186, 185, 186,
 &end
#
#   13 TRP  HD1          12 LYS  HE+         5.50    (#   3219:25  Preassigned    3.85, 4.88 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 TRP  HE1          12 LYS  HE+         5.50    (#   3220:25  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 3220, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 TRP  HE1          12 LYS  HE-         5.50    (#   3221:25  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 3221, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   69 SER  QB           49 LYS  QE          7.00    (#   3223:25  Preassigned    4.15, 6.58 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1091,1092,
 igr2= 775, 776,
 &end
#
#   53 LYS  HD-          57 ASP  HB2         5.50    (#   3224:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   32 GLU  HN            10 ASN  HB3         5.50    (#   3225:25  Preassigned    4.82, 4.88 A)
 &rst
  ixpk= 3225, nxpk= 25, iat= 470, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HD-          38 ILE  HB          5.50    (#   3226:25  Preassigned    4.32, 4.77 A)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   43 ALA  HA           42 ASP  HB3         5.50    (#   3227:25  Preassigned    4.45, 4.60 A)
 &rst
  ixpk= 3227, nxpk= 25, iat= 665, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           43 ASP  HB3         5.50    (#   3228:25  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 3228, nxpk= 25, iat= 685, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3229    43 ASP  HB2         5.50    (#   3229:25  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685,  76,
 &end
#
#    0 AMB  25-3:3230    43 ASP  HB2         5.50    (#   3230:25  Single Ambig)
 &rst
  ixpk= 3230, nxpk= 25, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685,  76,
 &end
#
#   44 ARG  HN           43 ASP  HB3         5.50    (#   3231:25  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 3231, nxpk= 25, iat= 685, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           57 PHE  HB3         5.50    (#   3232:25  Preassigned    4.60, 4.71 A)
 &rst
  ixpk= 3232, nxpk= 25, iat= 905, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA           58 PHE  HB3         5.50    (#   3233:25  Preassigned    5.46, 5.52 A)
 &rst
  ixpk= 3233, nxpk= 25, iat= 117, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HE           58 PHE  HB3         5.50    (#   3234:25  Preassigned    4.68, 5.11 A)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   47 GLY  HA-          46 ILE  HB          5.50    (#   3235:25  Preassigned    4.63, 4.94 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   47 GLY  HA+          46 ILE  HB          5.50    (#   3236:25  Preassigned    4.63, 4.94 A)
 &rst
  ixpk= 3236, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   30 ILE  HG1+         27 GLU  HG-         5.50    (#   3237:25  Preassigned    3.38, 3.84 A)
 &rst
  ixpk= 3237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 442, 443,
 igr2= 398, 399,
 &end
#
#   40 ILE  HN           27 GLU  HG-         5.50    (#   3238:25  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 3238, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   31 LEU  HN           27 GLU  HG+         7.00    (#   3239:25  Preassigned    6.90, 7.43 A)
 &rst
  ixpk= 3239, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#    7 MET  HN            5 ILE  HB          5.50    (#   3240:25  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  81,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           53 LYS  HB2         5.50    (#   3242:25  Preassigned    4.45, 4.83 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   14 VAL  HA           13 LYS  HB2         5.50    (#   3243:25  Preassigned    4.76, 4.81 A)
 &rst
  ixpk= 3243, nxpk= 25, iat= 196, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           13 LYS  HB3         5.50    (#   3244:25  Preassigned    4.30, 4.38 A)
 &rst
  ixpk= 3244, nxpk= 25, iat= 196, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HA           53 LYS  HB2         5.50    (#   3245:25  Preassigned    2.81, 3.31 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=1017, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 TRP  HD1          12 LYS  HB2         5.50    (#   3246:25  Preassigned    4.42, 4.60 A)
 &rst
  ixpk= 3246, nxpk= 25, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HD+          53 LYS  HB3         3.50    (#   3247:25  Preassigned    2.37, 2.71 A)
 &rst
  ixpk= 3247, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 847, 848,
 &end
#
#   40 ILE  HG1+         40 ILE  HB          3.50    (#   3248:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 638, 639,
 &end
#
#   12 TRP  HA           55 GLU  HG-         5.50    (#   3249:25  Preassigned    5.74, 6.21 A)
 &rst
  ixpk= 3249, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   35 BTL  HN3          37 GLU  HG-         5.50    (#   3250:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 3250, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   28 VAL  HN           40 ILE  HB          5.50    (#   3251:25  Preassigned    3.96, 4.05 A)
 &rst
  ixpk= 3251, nxpk= 25, iat= 406, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           55 GLU  HG-         5.50    (#   3252:25  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 3252, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   56 GLY  HN           55 GLU  HG+         5.50    (#   3253:25  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 3253, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#    0 AMB  25-3:3254    32 GLU  HG-         5.50    (#   3254:25  Single Ambig)
 &rst
  ixpk= 3254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 551, 119,
 igr2= 477, 478,
 &end
#
#   17 VAL  HA           16 LYS  QB          5.50    (#   3255:25  Preassigned    4.40, 5.17 A)
 &rst
  ixpk= 3255, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 247, 248,
 &end
#
#   50 GLU  HN           50 GLU  HG-         5.50    (#   3256:25  Preassigned    4.52, 4.75 A)
 &rst
  ixpk= 3256, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   62 GLY  HA-          61 GLU  HG+         5.50    (#   3258:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,
 igr2= 972, 973,
 &end
#
#   62 GLY  HA-          61 GLU  HG-         5.50    (#   3259:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,
 igr2= 972, 973,
 &end
#
#   23 ILE  HA           22 GLU  HG+         5.50    (#   3260:25  Preassigned    6.07, 6.22 A)
 &rst
  ixpk= 3260, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   23 ILE  HA           22 GLU  HG-         5.50    (#   3261:25  Preassigned    6.07, 6.22 A)
 &rst
  ixpk= 3261, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   68 LEU  HA           67 GLU  HG-         5.50    (#   3262:25  Preassigned    4.21, 5.07 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    7 MET  HN           61 GLU  HG+         5.50    (#   3263:25  Preassigned    4.26, 5.08 A)
 &rst
  ixpk= 3263, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   20 ASP  HN           16 VAL  HB          5.50    (#   3264:25  Preassigned    5.06, 5.38 A)
 &rst
  ixpk= 3264, nxpk= 25, iat= 282, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3265    50 GLU  HB3         5.50    (#   3265:25  Single Ambig)
 &rst
  ixpk= 3265, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 801, 817,
 &end
#
#   22 ILE  HA           21 GLN  HG-         5.50    (#   3266:25  Preassigned    3.49, 4.62 A)
 &rst
  ixpk= 3266, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HE22         21 GLN  HG+         5.50    (#   3267:25  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 3267, nxpk= 25, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#    3 VAL  QG2           3 VAL  HB          2.80    (#   3268:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  28,  29,  30,
 &end
#
#   49 LYS  QE           49 LYS  HB2         5.50    (#   3269:25  Preassigned    2.11, 3.95 A)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 775, 776,
 &end
#
#   69 SER  HN           49 LYS  HB3         5.50    (#   3271:25  Preassigned    3.85, 4.16 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=1087, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           49 LYS  HB3         5.50    (#   3272:25  Preassigned    3.11, 3.38 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=1070, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HA           48 LYS  HB3         5.50    (#   3273:25  Preassigned    4.37, 4.61 A)
 &rst
  ixpk= 3273, nxpk= 25, iat= 748, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  QE           49 LYS  HB3         5.50    (#   3274:25  Preassigned    2.58, 4.15 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 775, 776,
 &end
#
#   53 LYS  HN           52 LYS  HB3         5.50    (#   3275:25  Preassigned    4.12, 4.34 A)
 &rst
  ixpk= 3275, nxpk= 25, iat= 837, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HE+          67 GLU  HB3         5.50    (#   3276:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#   24 LYS  QE           24 LYS  HB3         5.50    (#   3277:25  Preassigned    3.01, 4.27 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#   24 LYS  QE           24 LYS  HB2         5.50    (#   3278:25  Preassigned    2.17, 3.97 A)
 &rst
  ixpk= 3278, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#    0 AMB  25-3:3279     0 AMB  25-1:3279   5.50    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:3281    36 MET  HG-         5.50    (#   3281:25  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 520, 521, 605, 606,
 igr2= 570, 571,
 &end
#
#   36 MET  HN            0 AMB  25-1:3283   5.50    (#   3283:25  Single Ambig)
 &rst
  ixpk= 3283, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 523, 524, 474,
 &end
#
#    10 ASN  HD21         32 GLU  HB3         5.50    (#   3285:25  Preassigned    3.84, 3.85 A)
 &rst
  ixpk= 3285, nxpk= 25, iat= 124, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3286    12 TRP  HB2         5.50    (#   3286:25  Single Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 477, 478, 185, 186,
 &end
#
#   32 GLU  HB3          12 TRP  HB3         5.50    (#   3287:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 3287, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HA           11 TRP  HB2         5.50    (#   3288:25  Preassigned    4.61, 4.68 A)
 &rst
  ixpk= 3288, nxpk= 25, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HA           11 TRP  HB3         5.50    (#   3289:25  Preassigned    4.19, 4.29 A)
 &rst
  ixpk= 3289, nxpk= 25, iat= 131, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           12 TRP  HB3         5.50    (#   3290:25  Preassigned    3.10, 3.26 A)
 &rst
  ixpk= 3290, nxpk= 25, iat= 470, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3          12 TRP  HB3         5.50    (#   3291:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 3291, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3292    12 TRP  HB2         5.50    (#   3292:25  Single Ambig)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 559, 120, 545,
 &end
#
#   22 ILE  HA           26 GLN  HB3         5.50    (#   3294:25  Preassigned    3.58, 4.04 A)
 &rst
  ixpk= 3294, nxpk= 25, iat= 313, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HA           26 GLN  HB2         5.50    (#   3295:25  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 3295, nxpk= 25, iat= 313, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            6 GLN  HB2         5.50    (#   3297:25  Preassigned    4.41, 4.48 A)
 &rst
  ixpk= 3297, nxpk= 25, iat=  81,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HD-         5.50    (#   3298:25  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 3298, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 TRP  HE1          12 LYS  HD+         5.50    (#   3299:25  Preassigned    2.68, 4.31 A)
 &rst
  ixpk= 3299, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:3300    39 PRO  HG-         5.50    (#   3300:25  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 438, 439, 440, 442, 443,
 igr2= 618, 619,
 &end
#
#   30 ILE  HA           39 PRO  HG+         5.50    (#   3302:25  Unique         6.00, 6.24 A)
 &rst
  ixpk= 3302, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 618, 619,
 &end
#
#   30 ILE  HA           39 PRO  HG-         5.50    (#   3303:25  Unique         6.00, 6.24 A)
 &rst
  ixpk= 3303, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:3304    39 PRO  HG-         5.50    (#   3304:25  Single Ambig)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 628, 647,
 igr2= 618, 619,
 &end
#
#   69 SER  QB           47 ILE  HG1-        5.50    (#   3305:25  Preassigned    3.68, 5.54 A)
 &rst
  ixpk= 3305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1091,1092,
 igr2= 737, 738,
 &end
#
#    5 SER  HA            4 ILE  HG1-        5.50    (#   3306:25  Preassigned    3.40, 4.40 A)
 &rst
  ixpk= 3306, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#    0 AMB  25-3:3307    47 ILE  HG1-        5.50    (#   3307:25  Single Ambig)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 311, 746,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:3308     0 AMB  25-1:3308   5.50    (#   3308:25  Double Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  64, 451,
 igr2=  55,  56, 442, 443,
 &end
#
#   66 LEU  HA           52 LYS  QD          5.50    (#   3310:25  Preassigned    4.28, 5.35 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:3311     0 AMB  25-1:3311   5.50    (#   3311:25  Double Ambig)
 &rst
  ixpk= 3311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034, 172,
 igr2=1022, 442, 443,
 &end
#
#   39 PRO  HD+          38 ILE  HG1-        5.50    (#   3312:25  Preassigned    4.52, 5.36 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:3313     0 AMB  25-1:3313   5.50    (#   3313:25  Double Ambig)
 &rst
  ixpk= 3313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616, 424,
 igr2= 605, 606,1022,
 &end
#
#    0 AMB  25-3:3314     0 AMB  25-1:3314   5.50    (#   3314:25  Double Ambig)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616,1001,
 igr2= 605, 606,1022,
 &end
#
#   33 SER  HB2          38 ILE  HG1-        5.50    (#   3315:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 3315, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 GLU  HA           37 ILE  HG1+        5.50    (#   3316:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 3316, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 GLU  HA           37 ILE  HG1-        5.50    (#   3318:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 3318, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HN           38 ILE  HG1+        5.50    (#   3319:25  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 3319, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HN           38 ILE  HG1-        5.50    (#   3320:25  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 3320, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   66 LEU  HG           65 LEU  QD+         4.50    (#   3321:25  Preassigned    2.60, 4.89 A)
 &rst
  ixpk= 3321, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB+          66 LEU  QD+         4.50    (#   3322:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           66 LEU  QD+         5.50    (#   3323:25  Preassigned    2.66, 4.74 A)
 &rst
  ixpk= 3323, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:3324     0 AMB  25-1:3324   5.50    (#   3324:25  Double Ambig)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 410, 231,
 igr2=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   29 ALA  HA           65 LEU  QD-         5.50    (#   3325:25  Preassigned    4.81, 6.06 A)
 &rst
  ixpk= 3325, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:3326    65 LEU  QD-         5.50    (#   3326:25  Single Ambig)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47, 196,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           66 LEU  QD+         5.50    (#   3328:25  Preassigned    4.18, 5.32 A)
 &rst
  ixpk= 3328, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HN           66 LEU  QD+         5.50    (#   3330:25  Unique         4.34, 6.85 A)
 &rst
  ixpk= 3330, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  HN           65 LEU  QD-         5.50    (#   3331:25  Preassigned    5.00, 6.80 A)
 &rst
  ixpk= 3331, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   40 PRO  HA           39 ILE  HG1-        5.50    (#   3332:25  Preassigned    3.43, 4.39 A)
 &rst
  ixpk= 3332, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#    3 VAL  HA           66 LEU  QD-         5.50    (#   3333:25  Preassigned    5.45, 7.45 A)
 &rst
  ixpk= 3333, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    8 ALA  HN           31 LEU  QD-         5.50    (#   3334:25  Preassigned    4.81, 6.46 A)
 &rst
  ixpk= 3334, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:3335    68 LEU  QD1         4.50    (#   3335:25  Single Ambig)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1038,1039, 667, 668, 669,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:3336    66 LEU  QD-         5.50    (#   3336:25  Single Ambig)
 &rst
  ixpk= 3336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 822, 823, 321, 322,1019,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  QG1          66 LEU  QD-         5.50    (#   3337:25  Preassigned    2.33, 5.22 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 805, 806, 807,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   43 ASP  HN           68 LEU  QD1         5.50    (#   3340:25  Preassigned    4.90, 6.20 A)
 &rst
  ixpk= 3340, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   67 GLU  HN           66 LEU  QD-         5.50    (#   3342:25  Preassigned    2.56, 4.68 A)
 &rst
  ixpk= 3342, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:3343    22 ILE  HG1-        5.50    (#   3343:25  Single Ambig)
 &rst
  ixpk= 3343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723, 714,
 igr2= 321, 322,
 &end
#
#   53 LYS  HN           11 LEU  QD+         5.50    (#   3344:25  Preassigned    4.76, 6.50 A)
 &rst
  ixpk= 3344, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:3345     0 AMB  25-1:3345   5.50    (#   3345:25  Double Ambig)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 839,1055,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    0 AMB  25-3:3347     0 AMB  25-1:3347   5.50    (#   3347:25  Double Ambig)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1060,1061, 337, 338,
 igr2= 822, 823, 352, 353,
 &end
#
#   53 LYS  HD+          53 LYS  HG-         3.50    (#   3351:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#   13 TRP  HD1          12 LYS  HG-         5.50    (#   3352:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 3352, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HN           13 LYS  HG+         5.50    (#   3353:25  Preassigned    3.50, 3.92 A)
 &rst
  ixpk= 3353, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HN           13 LYS  HG-         5.50    (#   3354:25  Preassigned    3.50, 3.92 A)
 &rst
  ixpk= 3354, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HG+         5.50    (#   3355:25  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 3355, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HG-         5.50    (#   3356:25  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 3356, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HE1          12 LYS  HG+         5.50    (#   3357:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 3357, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HE1          12 LYS  HG-         5.50    (#   3358:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 3358, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   53 LYS  HB3          59 VAL  QG1         5.50    (#   3362:25  Preassigned    3.44, 3.84 A)
 &rst
  ixpk= 3362, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   50 GLU  HA           48 VAL  QG1         5.50    (#   3363:25  Preassigned    3.21, 4.18 A)
 &rst
  ixpk= 3363, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   14 VAL  HN           29 ALA  QB          5.50    (#   3364:25  Preassigned    5.27, 5.96 A)
 &rst
  ixpk= 3364, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   31 LEU  HN           29 ALA  QB          5.50    (#   3365:25  Preassigned    5.24, 6.14 A)
 &rst
  ixpk= 3365, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    3 VAL  HB            3 VAL  QG1         3.50    (#   3367:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  24,  25,  26,
 &end
#
#   72 SER  HA           71 THR  QG2         7.00    (#   3368:25  Preassigned    3.98, 5.67 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1129,1130,1131,
 &end
#
#    0 AMB  25-3:3369    16 VAL  QG1         7.00    (#   3369:25  Single Ambig)
 &rst
  ixpk= 3369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 746, 311,
 igr2= 233, 234, 235,
 &end
#
#   65 LEU  HN           64 VAL  QG2         5.50    (#   3370:25  Preassigned    4.13, 4.73 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   52 LYS  HB3          64 VAL  QG2         5.50    (#   3373:25  Preassigned    2.33, 3.02 A)
 &rst
  ixpk= 3373, nxpk= 25, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   65 LEU  HN            3 VAL  QG2         5.50    (#   3375:25  Preassigned    5.92, 6.67 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:3380    59 VAL  QG2         5.50    (#   3380:25  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 992,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA+          59 VAL  QG2         5.50    (#   3383:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 945, 946, 947,
 &end
#
#   59 PHE  HD           58 VAL  QG2         5.50    (#   3384:25  Preassigned    5.14, 6.48 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 931,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA+           8 ALA  QB          5.50    (#   3386:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 102, 103, 104,
 &end
#
#    5 SER  HA            4 ILE  QG2         5.50    (#   3388:25  Preassigned    6.37, 6.55 A)
 &rst
  ixpk= 3388, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   60 ASN  HA            5 ILE  QG2         5.50    (#   3390:25  Preassigned    3.60, 4.36 A)
 &rst
  ixpk= 3390, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   12 TRP  HE1          30 ILE  QG2         5.50    (#   3391:25  Preassigned    5.58, 6.63 A)
 &rst
  ixpk= 3391, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   23 GLU  HN           22 ILE  QG2         4.50    (#   3392:25  Preassigned    3.95, 4.52 A)
 &rst
  ixpk= 3392, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 317, 318, 319,
 &end
#
#   68 LEU  HA           47 ILE  QG2         5.50    (#   3400:25  Preassigned    4.95, 6.21 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   33 SER  HB2          38 ILE  QG2         5.50    (#   3401:25  Preassigned    5.46, 6.36 A)
 &rst
  ixpk= 3401, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   33 SER  HB3          38 ILE  QG2         7.00    (#   3402:25  Preassigned    6.19, 7.32 A)
 &rst
  ixpk= 3402, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 601, 602, 603,
 &end
#
#   34 MET  HG+          34 MET  QE          5.50    (#   3404:25  Preassigned    2.49, 3.25 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 503, 504,
 igr2= 507, 508, 509,
 &end
#
#   68 LEU  HN           48 VAL  HA          5.50    (#   3409:25  Preassigned    5.00, 5.09 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=1068, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HB2          57 PHE  HA          7.00    (#   3411:25  Preassigned    5.98, 6.06 A)
 &rst
  ixpk= 3411, nxpk= 25, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 ASN  HB2          12 TRP  HA          5.50    (#   3412:25  Preassigned    4.78, 4.89 A)
 &rst
  ixpk= 3412, nxpk= 25, iat= 119, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG2          22 ILE  HA          5.50    (#   3413:25  Preassigned    5.25, 6.02 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   38 ILE  QD1          37 GLU  HA          5.50    (#   3414:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   58 PHE  HB2          57 ASP  HA          5.50    (#   3415:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 3415, nxpk= 25, iat= 919, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           13 LYS  HA          5.50    (#   3416:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 3416, nxpk= 25, iat= 198, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 BTL  HA           35 MET  HA          5.50    (#   3417:25  Preassigned    4.43, 4.55 A)
 &rst
  ixpk= 3417, nxpk= 25, iat= 515, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HB3          29 ALA  HA          5.50    (#   3418:25  Unique         4.70, 4.83 A)
 &rst
  ixpk= 3418, nxpk= 25, iat= 177, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB2           9 GLY  HA+         5.50    (#   3419:25  Preassigned    4.94, 5.87 A)
 &rst
  ixpk= 3419, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    3 VAL  QG2          65 LEU  HB3         5.50    (#   3421:25  Preassigned    5.03, 5.52 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  25-3:3422    65 LEU  HB2         5.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#   53 LYS  HG-          53 LYS  QE          4.50    (#   3423:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 850, 851,
 &end
#
#    0 AMB  25-3:3424     0 AMB  25-1:3424   5.50    (#   3424:25  Double Ambig)
 &rst
  ixpk= 3424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 687,1089,
 igr2= 358, 359, 775, 776,
 &end
#
#    0 AMB  25-3:3425    52 LYS  HE-         5.50    (#   3425:25  Single Ambig)
 &rst
  ixpk= 3425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1057, 820,
 igr2= 828, 829,
 &end
#
#   53 LYS  HA           53 LYS  QE          5.50    (#   3426:25  Preassigned    4.27, 4.72 A)
 &rst
  ixpk= 3426, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#    8 ALA  QB           60 ASN  HB+         5.50    (#   3427:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#   52 LYS  HA           52 LYS  HE+         5.50    (#   3428:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 3428, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   15 HID  HE1          13 LYS  HE-         5.50    (#   3429:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 3429, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   11 LEU  QD+          57 ASP  HB2         5.50    (#   3430:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 3430, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#   3431:25  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 3431, nxpk= 25, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HB2         5.50    (#   3432:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 3432, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3433     0 AMB  25-1:3433   5.50    (#   3433:25  Double Ambig)
 &rst
  ixpk= 3433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 442, 443, 445, 446, 447,
 igr2= 398, 399, 398, 399,
 &end
#
#   14 VAL  QG1          55 GLU  HG+         5.50    (#   3434:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 888, 889,
 &end
#
#   38 ILE  HN           37 GLU  HG+         5.50    (#   3435:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 3435, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3436    50 GLU  HG-         5.50    (#   3436:25  Single Ambig)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 801,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG+         5.50    (#   3437:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 3437, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG-         5.50    (#   3438:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 3438, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HB3          50 GLU  HG-         4.50    (#   3439:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 3439, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 792,
 &end
#
#   23 GLU  HB2          23 GLU  HG-         3.50    (#   3440:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 3440, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   26 GLN  HG+          23 GLU  HG-         7.00    (#   3441:25  Preassigned    5.93, 7.46 A)
 &rst
  ixpk= 3441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 381, 382,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:3442     0 AMB  25-1:3442   5.50    (#   3442:25  Double Ambig)
 &rst
  ixpk= 3442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 250, 251, 822, 823, 321, 322,
 igr2= 231,1060,1061,
 &end
#
#   53 LYS  QE           59 VAL  HB          5.50    (#   3443:25  Preassigned    4.14, 5.10 A)
 &rst
  ixpk= 3443, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    0 AMB  25-3:3444     0 AMB  25-1:3444   5.50    (#   3444:25  Double Ambig)
 &rst
  ixpk= 3444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  83,1089,
 igr2= 972, 973,1060,1061,
 &end
#
#   52 LYS  HG+          67 GLU  HG-         5.50    (#   3445:25  Preassigned    5.10, 6.28 A)
 &rst
  ixpk= 3445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2=1060,1061,
 &end
#
#   52 LYS  HE+          67 GLU  HG+         5.50    (#   3446:25  Preassigned    3.00, 5.14 A)
 &rst
  ixpk= 3446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2=1060,1061,
 &end
#
#   51 VAL  HN           50 GLU  HB2         5.50    (#   3447:25  Preassigned    4.03, 4.16 A)
 &rst
  ixpk= 3447, nxpk= 25, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           41 VAL  HB          5.50    (#   3448:25  Preassigned    4.68, 4.78 A)
 &rst
  ixpk= 3448, nxpk= 25, iat= 406, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          49 LYS  HB3         2.80    (#   3449:25  Preassigned    2.43, 2.79 A)
 &rst
  ixpk= 3449, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 769, 770,
 &end
#
#    0 AMB  25-3:3452     0 AMB  25-1:3452   5.50    (#   3452:25  Double Ambig)
 &rst
  ixpk= 3452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 847, 848, 315, 350,
 igr2= 820, 334,
 &end
#
#    0 AMB  25-3:3453     0 AMB  25-1:3453   4.50    (#   3453:25  Double Ambig)
 &rst
  ixpk= 3453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 692, 693, 825, 826, 844, 845, 767,
 igr2= 689, 690,1058, 819,
 &end
#
#   61 ASN  HA           60 GLU  HB3         5.50    (#   3455:25  Preassigned    4.93, 4.99 A)
 &rst
  ixpk= 3455, nxpk= 25, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ASN  HA           60 GLU  HB2         5.50    (#   3456:25  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 3456, nxpk= 25, iat= 953, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-          52 LYS  QD          3.50    (#   3458:25  Preassigned    2.33, 2.73 A)
 &rst
  ixpk= 3458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 822, 823,
 igr2= 825, 826,
 &end
#
#   33 SER  HB3          38 ILE  HG1-        5.50    (#   3459:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 3459, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   66 LEU  HA           66 LEU  QD-         5.50    (#   3460:25  Preassigned    2.17, 3.88 A)
 &rst
  ixpk= 3460, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HG           66 LEU  QD+         3.50    (#   3461:25  Preassigned    2.38, 2.67 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   53 LYS  HN           53 LYS  HG-         5.50    (#   3463:25  Preassigned    3.27, 3.91 A)
 &rst
  ixpk= 3463, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   18 ALA  HN           17 LYS  HG-         5.50    (#   3464:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 3464, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 VAL  HA           16 LYS  HG-         5.50    (#   3465:25  Preassigned    3.51, 4.33 A)
 &rst
  ixpk= 3465, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   41 VAL  HA           28 VAL  QG2         5.50    (#   3466:25  Preassigned    2.37, 3.55 A)
 &rst
  ixpk= 3466, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:3467    48 VAL  QG2         5.50    (#   3467:25  Single Ambig)
 &rst
  ixpk= 3467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 284, 245,
 igr2= 756, 757, 758,
 &end
#
#   16 VAL  HB           48 VAL  QG2         3.50    (#   3468:25  Preassigned    2.17, 3.33 A)
 &rst
  ixpk= 3468, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:3469    28 VAL  QG2         5.50    (#   3469:25  Single Ambig)
 &rst
  ixpk= 3469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1022, 638, 639,
 igr2= 416, 417, 418,
 &end
#
#   66 LEU  HB+          51 VAL  QG2         7.00    (#   3470:25  Preassigned    4.37, 6.77 A)
 &rst
  ixpk= 3470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1038,1039,
 igr2= 809, 810, 811,
 &end
#
#    0 AMB  25-3:3471    51 VAL  QG1         5.50    (#   3471:25  Single Ambig)
 &rst
  ixpk= 3471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 861,
 igr2= 805, 806, 807,
 &end
#
#   53 LYS  HA           51 VAL  QG1         5.50    (#   3472:25  Unique         4.75, 5.85 A)
 &rst
  ixpk= 3472, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   11 LEU  QD-          51 VAL  QG1         5.50    (#   3474:25  Preassigned    4.71, 6.97 A)
 &rst
  ixpk= 3474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 805, 806, 807,
 &end
#
#   11 LEU  HG           14 VAL  QG2         5.50    (#   3475:25  Preassigned    2.35, 2.87 A)
 &rst
  ixpk= 3475, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   11 LEU  HN           59 VAL  QG1         5.50    (#   3476:25  Preassigned    3.58, 4.61 A)
 &rst
  ixpk= 3476, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  HB3          51 VAL  QG1         5.50    (#   3477:25  Preassigned    5.01, 6.02 A)
 &rst
  ixpk= 3477, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   29 ALA  QB           14 VAL  QG1         5.50    (#   3479:25  Preassigned    2.80, 5.02 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 200, 201, 202,
 &end
#
#    0 AMB  25-3:3484     8 ALA  QB          5.50    (#   3484:25  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  85,  86, 970,
 igr2= 102, 103, 104,
 &end
#
#   68 LEU  QD2          16 VAL  QG2         5.50    (#   3486:25  Preassigned    5.49, 7.27 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1081,1082,1083,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:3488    39 PRO  HD-         5.50    (#   3488:25  Single Ambig)
 &rst
  ixpk= 3488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 582, 434,
 igr2= 615, 616,
 &end
#
#   68 GLU  HA           67 LEU  HB3         5.50    (#   3489:25  Preassigned    5.46, 5.51 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3490     0 AMB  25-1:3490   5.50    (#   3490:25  Double Ambig)
 &rst
  ixpk= 3490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2=1057, 820,
 &end
#
#   35 BTL  H5           37 GLU  QB          5.50    (#   3491:25  Preassigned    2.45, 4.19 A)
 &rst
  ixpk= 3491, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   33 SER  HN            7 MET  QE          5.50    (#   3494:25  Unique         5.64, 6.51 A)
 &rst
  ixpk= 3494, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   58 PHE  HZ           34 MET  QE          5.50    (#   3495:25  Preassigned    4.12, 5.01 A)
 &rst
  ixpk= 3495, nxpk= 25, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#   60 ASN  HA           34 MET  QE          5.50    (#   3499:25  Preassigned    5.41, 6.67 A)
 &rst
  ixpk= 3499, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#   13 LYS  HG+          15 HID  HE1         5.50    (#   5000:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 5000, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG-          15 HID  HE1         4.50    (#   5001:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 5001, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    0 AMB  25-3:5002    15 HID  HE1         4.50    (#   5002:25  Single Ambig)
 &rst
  ixpk= 5002, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 176, 445, 446, 447, 442, 443,
 &end
#
#    0 AMB  25-3:5003    15 HID  HE1         3.50    (#   5003:25  Single Ambig)
 &rst
  ixpk= 5003, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 182, 183, 177,
 &end
#
#   30 ILE  HG1+         15 HID  HE1         5.50    (#   5004:25  Preassigned    4.59, 5.35 A)
 &rst
  ixpk= 5004, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   13 LYS  HD-          15 HID  HE1         4.50    (#   5005:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 5005, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 183,
 &end
#
#   30 ILE  HB           15 HID  HE1         7.00    (#   5006:25  Preassigned    5.43, 5.72 A)
 &rst
  ixpk= 5006, nxpk= 25, iat= 436, 220, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HE+          15 HID  HE1         5.50    (#   5007:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 5007, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HE-          15 HID  HE1         5.50    (#   5008:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 5008, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HA           15 HID  HE1         5.50    (#   5009:25  Unique         4.94, 5.13 A)
 &rst
  ixpk= 5009, nxpk= 25, iat= 174, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HE1         5.50    (#   5011:25  Preassigned    4.24, 4.25 A)
 &rst
  ixpk= 5011, nxpk= 25, iat= 223, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          15 HID  HE1         7.00    (#   5012:25  Preassigned    7.06, 7.08 A)
 &rst
  ixpk= 5012, nxpk= 25, iat= 156, 220, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   58 PHE  HB3          58 PHE  HD          4.50    (#   5015:25  Preassigned    2.37, 3.08 A)
 &rst
  ixpk= 5015, nxpk= 25, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 931,
 &end
#
#   58 PHE  HB2          58 PHE  HD          4.50    (#   5016:25  Preassigned    2.55, 3.11 A)
 &rst
  ixpk= 5016, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 931,
 &end
#
#   58 PHE  HA           58 PHE  HD          5.50    (#   5017:25  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 5017, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
#    10 ASN  HA           58 PHE  HD          5.50    (#   5018:25  Preassigned    3.95, 5.36 A)
 &rst
  ixpk= 5018, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
#    0 AMB  25-3:5019    58 PHE  HD          5.50    (#   5019:25  Single Ambig)
 &rst
  ixpk= 5019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 935, 915,
 igr2= 923, 931,
 &end
#
#    8 ALA  QB           58 PHE  HE          5.50    (#   5020:25  Preassigned    4.38, 6.48 A)
 &rst
  ixpk= 5020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 925, 929,
 &end
#
#   58 PHE  HD           58 PHE  HE          2.80    (#   5021:25  Preassigned    2.48, 3.73 A)
 &rst
  ixpk= 5021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 923, 931,
 igr2= 925, 929,
 &end
#
#    8 ALA  QB           58 PHE  HZ          4.50    (#   5022:25  Preassigned    4.40, 5.50 A)
 &rst
  ixpk= 5022, nxpk= 25, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   13 LYS  HG+          12 TRP  HD1         5.50    (#   5023:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 5023, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG-          12 TRP  HD1         5.50    (#   5024:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 5024, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#    0 AMB  25-3:5025    12 TRP  HD1         4.50    (#   5025:25  Single Ambig)
 &rst
  ixpk= 5025, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 445, 446, 447, 438, 439, 440, 442, 443,
 &end
#
#   13 LYS  HB3          12 TRP  HD1         5.50    (#   5026:25  Preassigned    5.21, 5.25 A)
 &rst
  ixpk= 5026, nxpk= 25, iat= 177, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:5027    12 TRP  HD1         5.50    (#   5027:25  Single Ambig)
 &rst
  ixpk= 5027, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 474, 543, 442, 443,
 &end
#
#   30 ILE  HB           12 TRP  HD1         5.50    (#   5028:25  Unique         5.07, 5.11 A)
 &rst
  ixpk= 5028, nxpk= 25, iat= 436, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HE+          12 TRP  HD1         5.50    (#   5029:25  Preassigned    3.85, 4.88 A)
 &rst
  ixpk= 5029, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HD1         5.50    (#   5030:25  Preassigned    5.05, 5.31 A)
 &rst
  ixpk= 5030, nxpk= 25, iat= 559, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          12 TRP  HD1         4.50    (#   5032:25  Preassigned    3.62, 3.71 A)
 &rst
  ixpk= 5032, nxpk= 25, iat= 153, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          12 TRP  HD1         4.50    (#   5033:25  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 5033, nxpk= 25, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LEU  HA           11 TRP  HD1         7.00    (#   5034:25  Preassigned    6.77, 6.99 A)
 &rst
  ixpk= 5034, nxpk= 25, iat= 131, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HA           12 TRP  HD1         5.50    (#   5035:25  Preassigned    4.16, 4.31 A)
 &rst
  ixpk= 5035, nxpk= 25, iat= 174, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HD1         4.50    (#   5036:25  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 5036, nxpk= 25, iat= 150, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HN3          12 TRP  HD1         7.00    (#   5037:25  Preassigned    6.91, 6.96 A)
 &rst
  ixpk= 5037, nxpk= 25, iat= 553, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:5038    12 TRP  HD1         5.50    (#   5038:25  Single Ambig)
 &rst
  ixpk= 5038, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 161, 167,
 &end
#
#   13 LYS  HN           12 TRP  HD1         5.50    (#   5039:25  Preassigned    4.20, 4.25 A)
 &rst
  ixpk= 5039, nxpk= 25, iat= 172, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE1          12 TRP  HD1         2.80    (#   5040:25  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 5040, nxpk= 25, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:5041    12 TRP  HH2         5.50    (#   5041:25  Single Ambig)
 &rst
  ixpk= 5041, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 445, 446, 447, 442, 443,
 &end
#
#   35 BTL  H4           12 TRP  HH2         5.50    (#   5042:25  Preassigned    5.25, 5.67 A)
 &rst
  ixpk= 5042, nxpk= 25, iat= 559, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HH2         7.00    (#   5043:25  Preassigned    5.77, 5.88 A)
 &rst
  ixpk= 5043, nxpk= 25, iat= 557, 163, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HZ2          12 TRP  HH2         2.80    (#   5044:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5044, nxpk= 25, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HE1          12 TRP  HH2         5.50    (#   5045:25  Preassigned    5.05, 5.07 A)
 &rst
  ixpk= 5045, nxpk= 25, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:5046    12 TRP  HZ3         4.50    (#   5046:25  Single Ambig)
 &rst
  ixpk= 5046, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 445, 446, 447, 442, 443,
 &end
#
#   37 GLU  HG-          12 TRP  HZ3         5.50    (#   5047:25  Preassigned    2.19, 3.71 A)
 &rst
  ixpk= 5047, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 587, 588,
 &end
#
#   37 GLU  QB           12 TRP  HZ3         5.50    (#   5048:25  Preassigned    2.11, 2.64 A)
 &rst
  ixpk= 5048, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   35 BTL  H4           12 TRP  HZ3         5.50    (#   5049:25  Preassigned    4.25, 4.97 A)
 &rst
  ixpk= 5049, nxpk= 25, iat= 559, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           12 TRP  HE3         4.50    (#   5051:25  Preassigned    3.94, 4.12 A)
 &rst
  ixpk= 5051, nxpk= 25, iat= 436, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:5052    12 TRP  HE3         5.50    (#   5052:25  Single Ambig)
 &rst
  ixpk= 5052, nxpk= 25, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 587, 588, 477, 478, 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HE3         5.50    (#   5053:25  Preassigned    3.32, 3.97 A)
 &rst
  ixpk= 5053, nxpk= 25, iat= 559, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H5           12 TRP  HE3         5.50    (#   5054:25  Preassigned    2.81, 3.05 A)
 &rst
  ixpk= 5054, nxpk= 25, iat= 551, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          12 TRP  HE3         4.50    (#   5055:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 5055, nxpk= 25, iat= 153, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          12 TRP  HE3         5.50    (#   5056:25  Preassigned    2.93, 3.01 A)
 &rst
  ixpk= 5056, nxpk= 25, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HE3         5.50    (#   5057:25  Preassigned    5.18, 5.22 A)
 &rst
  ixpk= 5057, nxpk= 25, iat= 150, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HZ3          12 TRP  HE3         3.50    (#   5058:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 5058, nxpk= 25, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:5059    15 HID  HD2         5.50    (#   5059:25  Single Ambig)
 &rst
  ixpk= 5059, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 412, 413, 414, 179, 180,
 &end
#
#    0 AMB  25-3:5060    15 HID  HD2         4.50    (#   5060:25  Single Ambig)
 &rst
  ixpk= 5060, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 233, 234, 235,
 &end
#
#   30 ILE  HG1+         15 HID  HD2         5.50    (#   5061:25  Preassigned    2.81, 3.65 A)
 &rst
  ixpk= 5061, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   27 GLU  HG-          15 HID  HD2         3.50    (#   5062:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 5062, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          15 HID  HD2         5.50    (#   5063:25  Preassigned    5.60, 5.68 A)
 &rst
  ixpk= 5063, nxpk= 25, iat= 395, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HG+          15 HID  HD2         4.50    (#   5064:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 5064, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   15 HID  HB2          15 HID  HD2         3.50    (#   5065:25  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 5065, nxpk= 25, iat= 214, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HB3          15 HID  HD2         4.50    (#   5066:25  Preassigned    3.77, 3.79 A)
 &rst
  ixpk= 5066, nxpk= 25, iat= 215, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HA           15 HID  HD2         5.50    (#   5067:25  Preassigned    2.21, 2.25 A)
 &rst
  ixpk= 5067, nxpk= 25, iat= 424, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           15 HID  HD2         5.50    (#   5068:25  Preassigned    5.31, 5.39 A)
 &rst
  ixpk= 5068, nxpk= 25, iat= 393, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HA           15 HID  HD2         4.50    (#   5069:25  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 5069, nxpk= 25, iat= 408, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HA           15 HID  HD2         5.50    (#   5071:25  Preassigned    4.47, 4.50 A)
 &rst
  ixpk= 5071, nxpk= 25, iat= 212, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          15 HID  HD2         5.50    (#   5072:25  Preassigned    4.24, 4.25 A)
 &rst
  ixpk= 5072, nxpk= 25, iat= 220, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           15 HID  HD2         5.50    (#   5073:25  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 5073, nxpk= 25, iat= 422, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           15 HID  HD2         5.50    (#   5074:25  Preassigned    3.34, 3.41 A)
 &rst
  ixpk= 5074, nxpk= 25, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           15 HID  HD2         5.50    (#   5075:25  Preassigned    3.94, 4.03 A)
 &rst
  ixpk= 5075, nxpk= 25, iat= 432, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           15 HID  HD2         5.50    (#   5076:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 5076, nxpk= 25, iat= 406, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HZ2         7.00    (#   5078:25  Preassigned    4.78, 4.94 A)
 &rst
  ixpk= 5078, nxpk= 25, iat= 557, 161, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HE1          12 TRP  HZ2         4.50    (#   5079:25  Preassigned    2.86, 2.89 A)
 &rst
  ixpk= 5079, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HH2          12 TRP  HZ2         2.80    (#   5080:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5080, nxpk= 25, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:5081    12 TRP  HZ2         5.50    (#   5081:25  Single Ambig)
 &rst
  ixpk= 5081, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186, 587, 588,
 &end
#
#   13 LYS  HE-          12 TRP  HZ2         5.50    (#   5082:25  Preassigned    3.70, 4.89 A)
 &rst
  ixpk= 5082, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HZ2         5.50    (#   5083:25  Preassigned    5.45, 5.52 A)
 &rst
  ixpk= 5083, nxpk= 25, iat= 559, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H5           12 TRP  HZ2         5.50    (#   5084:25  Preassigned    4.85, 4.97 A)
 &rst
  ixpk= 5084, nxpk= 25, iat= 551, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB3          49 LYS  HN          2.80    (#      0:15  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 0, nxpk= 15, iat= 767, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   69 SER  HN           49 LYS  HN          5.50    (#      1:15  Preassigned    3.05, 3.34 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1087, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           49 LYS  HN          5.50    (#      2:15  Preassigned    3.76, 4.02 A)
 &rst
  ixpk= 2, nxpk= 15, iat=1053, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           49 LYS  HN          2.80    (#      3:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 784, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 LEU  HA           49 LYS  HN          2.80    (#      4:15  Preassigned    1.86, 2.02 A)
 &rst
  ixpk= 4, nxpk= 15, iat=1070, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 SER  HA           49 LYS  HN          5.50    (#      5:15  Preassigned    4.95, 5.29 A)
 &rst
  ixpk= 5, nxpk= 15, iat=1089, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HN          3.50    (#      6:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 6, nxpk= 15, iat= 764, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 SER  QB           49 LYS  HN          7.00    (#      7:15  Preassigned    4.70, 5.90 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   49 LYS  HB2          49 LYS  HN          3.50    (#      8:15  Preassigned    2.57, 2.75 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 766, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 VAL  QG2          48 LYS  HN          5.50    (#      9:15  Preassigned    4.26, 5.07 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:10      49 LYS  HN          5.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   49 VAL  QG1          48 LYS  HN          3.50    (#     11:15  Preassigned    2.72, 3.65 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   68 LEU  QD2          49 LYS  HN          4.50    (#     12:15  Preassigned    3.01, 4.00 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   49 VAL  HA           48 LYS  HN          2.80    (#     13:15  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 13, nxpk= 15, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:14      49 LYS  HN          5.50    (#     14:15  Single Ambig)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 769, 770, 269, 270, 271,
 &end
#
#    0 AMB  15-3:15      12 TRP  HN          5.50    (#     15:15  Single Ambig)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 177,
 &end
#
#   32 GLU  HN           12 TRP  HN          4.50    (#     16:15  Preassigned    2.31, 2.37 A)
 &rst
  ixpk= 16, nxpk= 15, iat= 470, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           12 TRP  HN          5.50    (#     17:15  Preassigned    3.94, 4.96 A)
 &rst
  ixpk= 17, nxpk= 15, iat= 432, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HN          3.50    (#     18:15  Preassigned    2.48, 3.39 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 172, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HE3          12 TRP  HN          5.50    (#     19:15  Preassigned    4.64, 4.73 A)
 &rst
  ixpk= 19, nxpk= 15, iat= 167, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HN          4.50    (#     20:15  Preassigned    2.59, 2.63 A)
 &rst
  ixpk= 20, nxpk= 15, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LEU  HA           11 TRP  HN          2.80    (#     22:15  Preassigned    2.18, 2.40 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HB2          12 TRP  HN          3.50    (#     23:15  Preassigned    2.30, 2.36 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HB3          12 TRP  HN          3.50    (#     24:15  Preassigned    2.40, 2.50 A)
 &rst
  ixpk= 24, nxpk= 15, iat= 153, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:25      12 TRP  HN          5.50    (#     25:15  Single Ambig)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 134, 436,
 &end
#
#    0 AMB  15-3:26      12 TRP  HN          5.50    (#     26:15  Single Ambig)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 133, 426, 427, 428, 442, 443,
 &end
#
#   30 ILE  QG2          12 TRP  HN          5.50    (#     27:15  Preassigned    4.01, 5.76 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   12 LEU  QD+          11 TRP  HN          4.50    (#     28:15  Preassigned    3.88, 5.81 A)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:29      12 TRP  HN          4.50    (#     29:15  Single Ambig)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  HN           31 LEU  HN          4.50    (#     31:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 31, nxpk= 15, iat= 595, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ILE  HA           30 LEU  HN          2.80    (#     32:15  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 32, nxpk= 15, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ILE  HB           31 LEU  HN          5.50    (#     33:15  Preassigned    3.37, 3.47 A)
 &rst
  ixpk= 33, nxpk= 15, iat= 599, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB3          31 LEU  HN          4.50    (#     34:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 34, nxpk= 15, iat= 456, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:35      31 LEU  HN          4.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 455, 638, 639,
 &end
#
#   39 PRO  HA           31 LEU  HN          5.50    (#     36:15  Preassigned    3.41, 3.53 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 624, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE  QG2          30 LEU  HN          4.50    (#     37:15  Preassigned    2.58, 3.18 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   12 TRP  HD1          12 TRP  HE1         2.80    (#     39:15  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 39, nxpk= 15, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 LYS  HE-          12 TRP  HE1         5.50    (#     41:15  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HE+          12 TRP  HE1         5.50    (#     42:15  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#    0 AMB  15-3:43      12 TRP  HE1         5.50    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447, 438, 439, 440,
 &end
#
#   13 LYS  HG-          12 TRP  HE1         5.50    (#     44:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          12 TRP  HE1         5.50    (#     45:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   12 TRP  HH2          12 TRP  HE1         5.50    (#     46:15  Preassigned    5.05, 5.07 A)
 &rst
  ixpk= 46, nxpk= 15, iat= 163, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H4           12 TRP  HE1         7.00    (#     47:15  Unique         5.04, 5.31 A)
 &rst
  ixpk= 47, nxpk= 15, iat= 559, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H62          35 BTL  HZ1         7.00    (#     48:15  Preassigned    6.39, 6.95 A)
 &rst
  ixpk= 48, nxpk= 15, iat= 548, 529, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  HE-          35 BTL  HZ1         3.50    (#     49:15  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   35 BTL  HE+          35 BTL  HZ1         2.80    (#     50:15  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 526, 527,
 &end
#
#   35 BTL  H10+         35 BTL  HZ1         3.50    (#     51:15  Preassigned    2.10, 2.84 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#    0 AMB  15-3:52      35 BTL  HZ1         2.80    (#     52:15  Single Ambig)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 533, 534, 517,
 &end
#
#   35 BTL  H92          35 BTL  HZ1         4.50    (#     53:15  Preassigned    2.28, 3.99 A)
 &rst
  ixpk= 53, nxpk= 15, iat= 536, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HD+          35 BTL  HZ1         4.50    (#     54:15  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#    0 AMB  15-3:55      35 BTL  HZ1         3.50    (#     55:15  Single Ambig)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 537, 520, 521, 540,
 &end
#
#   35 BTL  H82          35 BTL  HZ1         4.50    (#     56:15  Preassigned    2.86, 3.28 A)
 &rst
  ixpk= 56, nxpk= 15, iat= 539, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLN  HN           26 GLU  HN          5.50    (#     57:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 57, nxpk= 15, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           27 GLU  HN          4.50    (#     59:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 59, nxpk= 15, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLN  HA           26 GLU  HN          2.80    (#     60:15  Preassigned    2.25, 2.28 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLN  HG+          26 GLU  HN          3.50    (#     61:15  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#    0 AMB  15-3:62      27 GLU  HN          2.80    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 381, 382, 395,
 &end
#
#   27 GLU  HB3          27 GLU  HN          2.80    (#     63:15  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 63, nxpk= 15, iat= 396, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:65      27 GLU  HN          5.50    (#     65:15  Single Ambig)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 647, 628,
 &end
#
#   28 VAL  HN           42 ALA  HN          5.50    (#     67:15  Preassigned    3.74, 3.90 A)
 &rst
  ixpk= 67, nxpk= 15, iat= 406, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:69      42 ALA  HN          5.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 408,
 &end
#
#   35 BTL  HN           34 MET  HN          4.50    (#     71:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 SER  HA           33 MET  HN          2.80    (#     74:15  Preassigned    2.23, 2.31 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:76      34 MET  HN          2.80    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 498, 110, 111,
 &end
#
#    9 GLY  HA-          34 MET  HN          5.50    (#     77:15  Preassigned    3.18, 3.86 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   35 BTL  HA           34 MET  HN          5.50    (#     78:15  Preassigned    4.77, 4.89 A)
 &rst
  ixpk= 78, nxpk= 15, iat= 515, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HB2          33 MET  HN          5.50    (#     79:15  Preassigned    4.54, 4.59 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 489, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HB3          33 MET  HN          5.50    (#     80:15  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HG+          34 MET  HN          4.50    (#     81:15  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   34 MET  HG-          34 MET  HN          4.50    (#     82:15  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   34 MET  QB           34 MET  HN          4.50    (#     83:15  Preassigned    3.50, 3.82 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 500, 501,
 &end
#
#    0 AMB  15-3:86      51 VAL  HN          3.50    (#     86:15  Single Ambig)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 801, 817,
 &end
#
#   51 GLU  HA           50 VAL  HN          2.80    (#     87:15  Preassigned    2.26, 2.35 A)
 &rst
  ixpk= 87, nxpk= 15, iat= 786, 799, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HB           51 VAL  HN          3.50    (#     88:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 88, nxpk= 15, iat= 803, 799, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU  HG-          50 VAL  HN          3.50    (#     89:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 792,
 &end
#
#   51 GLU  HB3          50 VAL  HN          4.50    (#     90:15  Preassigned    3.22, 3.65 A)
 &rst
  ixpk= 90, nxpk= 15, iat= 789, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  QB           51 VAL  HN          4.50    (#     91:15  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#   51 VAL  QG1          51 VAL  HN          4.50    (#     92:15  Preassigned    4.50, 4.72 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 805, 806, 807,
 &end
#
#   51 VAL  QG2          51 VAL  HN          3.50    (#     93:15  Preassigned    2.41, 3.49 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 809, 810, 811,
 &end
#
#   51 GLU  HN           50 VAL  HN          5.50    (#     94:15  Preassigned    4.26, 4.34 A)
 &rst
  ixpk= 94, nxpk= 15, iat= 784, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG1          51 VAL  HN          5.50    (#     95:15  Preassigned    3.99, 4.71 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   52 LYS  HN           51 VAL  HN          5.50    (#     96:15  Preassigned    3.92, 4.28 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 815, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           42 ALA  HN          5.50    (#     97:15  Preassigned    4.87, 4.90 A)
 &rst
  ixpk= 97, nxpk= 15, iat= 391, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HN           42 ALA  HN          4.50    (#     98:15  Preassigned    4.31, 4.40 A)
 &rst
  ixpk= 98, nxpk= 15, iat= 673, 663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           42 ALA  HN          5.50    (#    100:15  Preassigned    3.15, 3.26 A)
 &rst
  ixpk= 100, nxpk= 15, iat= 374, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 VAL  HA           41 ALA  HN          2.80    (#    101:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 101, nxpk= 15, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLU  HA           42 ALA  HN          4.50    (#    102:15  Preassigned    3.86, 3.93 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 393, 663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  HA           42 ALA  HN          3.50    (#    103:15  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 103, nxpk= 15, iat= 665, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 VAL  HB           41 ALA  HN          3.50    (#    104:15  Preassigned    2.49, 2.58 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  QB           42 ALA  HN          2.80    (#    106:15  Preassigned    2.41, 2.83 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 667, 668, 669,
 &end
#
#   28 VAL  QG2          42 ALA  HN          4.50    (#    108:15  Preassigned    2.81, 3.81 A)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          42 ALA  HN          4.50    (#    110:15  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#   73 GLN  HA           73 GLN  HN          4.50    (#    114:15  Preassigned    2.23, 2.84 A)
 &rst
  ixpk= 114, nxpk= 15, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 THR  HA           72 GLN  HN          3.50    (#    115:15  Preassigned    2.22, 2.82 A)
 &rst
  ixpk= 115, nxpk= 15, iat=1125,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 THR  HB           72 GLN  HN          5.50    (#    116:15  Preassigned    2.39, 3.20 A)
 &rst
  ixpk= 116, nxpk= 15, iat=1127,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HB-          73 GLN  HN          5.50    (#    117:15  Preassigned    2.33, 3.40 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1142,
 &end
#
#   71 SER  HA           73 GLN  HN          5.50    (#    118:15  Preassigned    3.09, 5.44 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1114,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:119     38 ILE  HN          5.50    (#    119:15  Single Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 580, 485,
 &end
#
#   32 GLU  HA           38 ILE  HN          5.50    (#    120:15  Preassigned    3.94, 4.08 A)
 &rst
  ixpk= 120, nxpk= 15, iat= 472, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          38 ILE  HN          5.50    (#    121:15  Preassigned    2.61, 5.05 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   31 LEU  HN           38 ILE  HN          4.50    (#    122:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 451, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:123     38 ILE  HN          2.80    (#    123:15  Single Ambig)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 599, 584, 585,
 &end
#
#   38 ILE  HG1-         38 ILE  HN          4.50    (#    124:15  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          38 ILE  HN          3.50    (#    125:15  Preassigned    3.15, 3.68 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  QG2          38 ILE  HN          5.50    (#    126:15  Preassigned    4.57, 4.85 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 601, 602, 603,
 &end
#
#   38 GLU  HA           37 ILE  HN          2.80    (#    127:15  Preassigned    2.17, 2.23 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 582, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:128     38 ILE  HN          5.50    (#    128:15  Single Ambig)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 587, 588, 568,
 &end
#
#   31 LEU  HB3          38 ILE  HN          4.50    (#    129:15  Preassigned    4.00, 4.11 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 456, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HG1+         38 ILE  HN          3.50    (#    130:15  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 605, 606,
 &end
#
#    0 AMB  15-3:131     68 LEU  HN          5.50    (#    131:15  Single Ambig)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   68 LEU  HG           68 LEU  HN          3.50    (#    132:15  Preassigned    2.71, 2.87 A)
 &rst
  ixpk= 132, nxpk= 15, iat=1075,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HA           68 LEU  HN          4.50    (#    133:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 133, nxpk= 15, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLU  HA           67 LEU  HN          2.80    (#    135:15  Preassigned    2.18, 2.26 A)
 &rst
  ixpk= 135, nxpk= 15, iat=1055,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA           68 LEU  HN          5.50    (#    136:15  Preassigned    5.00, 5.09 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 748,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 GLU  HB2          67 LEU  HN          4.50    (#    137:15  Preassigned    3.97, 4.17 A)
 &rst
  ixpk= 137, nxpk= 15, iat=1057,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:138     68 LEU  HN          4.50    (#    138:15  Single Ambig)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1073, 772, 773,
 &end
#
#   68 LEU  QD2          68 LEU  HN          5.50    (#    139:15  Preassigned    3.76, 4.57 A)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:140     41 VAL  HN          5.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 673, 367,
 &end
#
#   41 VAL  HA           41 VAL  HN          5.50    (#    141:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 141, nxpk= 15, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:142     41 VAL  HN          3.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 651, 621, 622,
 &end
#
#   41 ILE  HA           40 VAL  HN          2.80    (#    143:15  Preassigned    2.13, 2.16 A)
 &rst
  ixpk= 143, nxpk= 15, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:145     41 VAL  HN          3.50    (#    145:15  Single Ambig)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#    0 AMB  15-3:147      6 GLN  HN          5.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  85,  86,  49,
 &end
#
#   62 GLY  HN            6 GLN  HN          5.50    (#    148:15  Preassigned    4.35, 4.45 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 980,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            6 GLN  HN          3.50    (#    149:15  Preassigned    2.05, 2.14 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  81,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HA            6 GLN  HN          3.50    (#    151:15  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 151, nxpk= 15, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  HA            5 GLN  HN          2.80    (#    152:15  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 152, nxpk= 15, iat=  47,  64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 GLN  HG+           6 GLN  HN          4.50    (#    153:15  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    6 GLN  HG-           6 GLN  HN          3.50    (#    154:15  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:155      6 GLN  HN          5.50    (#    155:15  Single Ambig)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 972, 973, 939,
 &end
#
#    6 GLN  HB3           6 GLN  HN          3.50    (#    156:15  Preassigned    2.91, 2.98 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  69,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  QG2           5 GLN  HN          3.50    (#    157:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:158      6 GLN  HN          4.50    (#    158:15  Single Ambig)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 641, 642, 643,  58,  59,  60, 634, 635, 636,
 &end
#
#   48 ILE  HN           47 VAL  HN          5.50    (#    160:15  Preassigned    4.24, 4.40 A)
 &rst
  ixpk= 160, nxpk= 15, iat= 727, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           48 VAL  HN          5.50    (#    161:15  Preassigned    2.93, 3.64 A)
 &rst
  ixpk= 161, nxpk= 15, iat= 282, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HA           48 VAL  HN          5.50    (#    162:15  Preassigned    4.73, 4.80 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 284, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           48 VAL  HN          3.50    (#    163:15  Preassigned    2.85, 2.88 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 748, 746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           48 VAL  HN          2.80    (#    164:15  Preassigned    2.36, 2.41 A)
 &rst
  ixpk= 164, nxpk= 15, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:165     48 VAL  HN          4.50    (#    165:15  Single Ambig)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 731,1073, 766,
 &end
#
#    0 AMB  15-3:166     48 VAL  HN          5.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 737, 738,1072,
 &end
#
#    0 AMB  15-3:167     48 VAL  HN          4.50    (#    167:15  Single Ambig)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 321, 322, 737, 738,
 &end
#
#   48 VAL  QG2          48 VAL  HN          2.80    (#    168:15  Preassigned    2.14, 3.09 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:169     48 VAL  HN          4.50    (#    169:15  Single Ambig)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 740, 741, 742,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   48 ILE  QG2          47 VAL  HN          3.50    (#    170:15  Preassigned    2.83, 3.50 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 733, 734, 735,
 &end
#
#   68 LEU  QD2          48 VAL  HN          4.50    (#    171:15  Preassigned    3.79, 4.72 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   49 LYS  HN           48 VAL  HN          5.50    (#    172:15  Preassigned    4.47, 4.54 A)
 &rst
  ixpk= 172, nxpk= 15, iat= 762, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 ILE  HA           47 VAL  HN          2.80    (#    173:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 173, nxpk= 15, iat= 729, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HB3          48 VAL  HN          5.50    (#    174:15  Preassigned    3.85, 4.00 A)
 &rst
  ixpk= 174, nxpk= 15, iat= 287, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           11 LEU  HN          4.50    (#    177:15  Preassigned    3.61, 3.75 A)
 &rst
  ixpk= 177, nxpk= 15, iat= 148, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11 ASN  HB2          10 LEU  HN          4.50    (#    179:15  Preassigned    3.99, 4.15 A)
 &rst
  ixpk= 179, nxpk= 15, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG2          11 LEU  HN          3.50    (#    182:15  Preassigned    2.51, 3.43 A)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 945, 946, 947,
 &end
#
#   57 ASP  HN           11 LEU  HN          5.50    (#    183:15  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 183, nxpk= 15, iat= 903, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HN          2.80    (#    184:15  Preassigned    2.18, 2.22 A)
 &rst
  ixpk= 184, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HA           11 LEU  HN          4.50    (#    185:15  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 917, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           11 LEU  HN          4.50    (#    186:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11 ASN  HB3          10 LEU  HN          4.50    (#    187:15  Preassigned    2.96, 3.23 A)
 &rst
  ixpk= 187, nxpk= 15, iat= 120, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB3          11 LEU  HN          3.50    (#    188:15  Preassigned    2.52, 2.63 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 134, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HB2          11 LEU  HN          2.80    (#    189:15  Preassigned    2.20, 2.31 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 133, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HG           11 LEU  HN          4.50    (#    190:15  Preassigned    4.09, 4.49 A)
 &rst
  ixpk= 190, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG1          11 LEU  HN          5.50    (#    191:15  Preassigned    3.58, 4.61 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   11 LEU  QD-          11 LEU  HN          4.50    (#    192:15  Preassigned    2.75, 4.98 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HN           65 LEU  HN          3.50    (#    193:15  Preassigned    1.92, 2.01 A)
 &rst
  ixpk= 193, nxpk= 15, iat=1034,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 SER  HA           65 LEU  HN          3.50    (#    194:15  Preassigned    2.47, 2.63 A)
 &rst
  ixpk= 194, nxpk= 15, iat=  36,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LEU  HA           65 LEU  HN          4.50    (#    195:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 195, nxpk= 15, iat=1017,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HA           64 LEU  HN          2.80    (#    196:15  Preassigned    2.24, 2.32 A)
 &rst
  ixpk= 196, nxpk= 15, iat=1001,1015, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 VAL  HB           64 LEU  HN          5.50    (#    197:15  Preassigned    2.58, 2.65 A)
 &rst
  ixpk= 197, nxpk= 15, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3          65 LEU  HN          3.50    (#    198:15  Preassigned    2.57, 2.67 A)
 &rst
  ixpk= 198, nxpk= 15, iat=1020,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:199     65 LEU  HN          4.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  15-3:200     65 LEU  HN          3.50    (#    200:15  Single Ambig)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1019, 822, 823,
 &end
#
#   65 VAL  QG2          64 LEU  HN          4.50    (#    201:15  Preassigned    4.13, 4.73 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1009,1010,1011,
 &end
#
#    3 VAL  QG2          65 LEU  HN          7.00    (#    202:15  Preassigned    5.92, 6.67 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  15-3:203     65 LEU  HN          3.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1005,1006,1007,1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           65 LEU  HN          5.50    (#    204:15  Preassigned    4.35, 4.48 A)
 &rst
  ixpk= 204, nxpk= 15, iat=  22,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           32 GLU  HN          4.50    (#    205:15  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          32 GLU  HN          3.50    (#    207:15  Preassigned    2.30, 2.32 A)
 &rst
  ixpk= 207, nxpk= 15, iat= 475, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HG+          32 GLU  HN          5.50    (#    208:15  Preassigned    4.41, 4.59 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:209     32 GLU  HN          3.50    (#    209:15  Single Ambig)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:210     32 GLU  HN          3.50    (#    210:15  Single Ambig)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 148, 115,
 &end
#
#   33 SER  HA           32 GLU  HN          5.50    (#    211:15  Preassigned    4.84, 4.86 A)
 &rst
  ixpk= 211, nxpk= 15, iat= 487, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           32 GLU  HN          4.50    (#    212:15  Preassigned    3.54, 3.61 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 131, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB2          32 GLU  HN          5.50    (#    213:15  Preassigned    3.72, 3.79 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 119, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 LEU  HB3          31 GLU  HN          4.50    (#    214:15  Preassigned    3.13, 3.23 A)
 &rst
  ixpk= 214, nxpk= 15, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:215     32 GLU  HN          3.50    (#    215:15  Single Ambig)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 455,
 &end
#
#    0 AMB  15-3:216     32 GLU  HN          5.50    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 496,
 &end
#
#   12 TRP  HB2          32 GLU  HN          5.50    (#    217:15  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 152, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  QG1           3 SER  HN          4.50    (#    218:15  Preassigned    2.26, 3.15 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    4 VAL  HA            3 SER  HN          2.80    (#    220:15  Preassigned    2.27, 2.31 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  20,  34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:221      4 SER  HN          3.50    (#    221:15  Single Ambig)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  38,  39,
 &end
#
#    4 VAL  QG2           3 SER  HN          4.50    (#    222:15  Preassigned    4.57, 5.10 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    5 ILE  HN            4 SER  HN          4.50    (#    223:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  45,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 SER  HA            4 SER  HN          4.50    (#    224:15  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 224, nxpk= 15, iat=  36,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           52 LYS  HN          4.50    (#    226:15  Preassigned    4.05, 4.33 A)
 &rst
  ixpk= 226, nxpk= 15, iat=1053, 815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HN          2.80    (#    227:15  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 837, 815, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           52 LYS  HN          3.50    (#    228:15  Preassigned    2.52, 2.72 A)
 &rst
  ixpk= 228, nxpk= 15, iat=1036, 815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:229     52 LYS  HN          2.80    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 801, 817,
 &end
#
#    0 AMB  15-3:230     52 LYS  HN          3.50    (#    230:15  Single Ambig)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 820,1057,
 &end
#
#    0 AMB  15-3:231     52 LYS  HN          5.50    (#    231:15  Single Ambig)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1003, 788,
 &end
#
#   52 LYS  HB2          52 LYS  HN          2.80    (#    232:15  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 232, nxpk= 15, iat= 819, 815, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LYS  HD+          52 LYS  HN          7.00    (#    233:15  Preassigned    6.06, 6.65 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 847, 848,
 &end
#
#    0 AMB  15-3:234     52 LYS  HN          4.50    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 825, 826,1041,
 &end
#
#    0 AMB  15-3:235     52 LYS  HN          5.50    (#    235:15  Single Ambig)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 841,1022,
 &end
#
#   52 LYS  HG+          52 LYS  HN          3.50    (#    236:15  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 822, 823,
 &end
#
#    0 AMB  15-3:237     52 LYS  HN          4.50    (#    237:15  Single Ambig)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 844, 845, 200, 201, 202,
 &end
#
#    0 AMB  15-3:238     52 LYS  HN          3.50    (#    238:15  Single Ambig)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1024,1025,1026,1028,1029,1030,
 &end
#
#   41 VAL  HA           40 ILE  HN          5.50    (#    240:15  Preassigned    4.52, 4.61 A)
 &rst
  ixpk= 240, nxpk= 15, iat= 649, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           40 ILE  HN          3.50    (#    241:15  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 434, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  HN           40 ILE  HN          5.50    (#    242:15  Preassigned    4.38, 4.49 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 451, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           40 ILE  HN          5.50    (#    243:15  Preassigned    3.95, 4.07 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 406, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           40 ILE  HN          4.50    (#    245:15  Preassigned    3.15, 3.20 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 422, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG+          40 ILE  HN          4.50    (#    246:15  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HG-          40 ILE  HN          5.50    (#    247:15  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   40 PRO  HB-          39 ILE  HN          4.50    (#    248:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HG1-         40 ILE  HN          4.50    (#    249:15  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   40 PRO  HA           39 ILE  HN          2.80    (#    251:15  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 251, nxpk= 15, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HA           40 ILE  HN          4.50    (#    252:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 252, nxpk= 15, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 PRO  HB+          39 ILE  HN          4.50    (#    253:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HB           40 ILE  HN          2.80    (#    254:15  Preassigned    2.69, 2.75 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 632, 628, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HG1+         40 ILE  HN          3.50    (#    255:15  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 638, 639,
 &end
#
#    0 AMB  15-3:256     40 ILE  HN          4.50    (#    256:15  Single Ambig)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#   41 VAL  QG2          40 ILE  HN          5.50    (#    257:15  Unique         5.61, 6.55 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 657, 658, 659,
 &end
#
#    0 AMB  15-3:258     40 ILE  HN          3.50    (#    258:15  Single Ambig)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    0 AMB  15-3:259     40 ILE  HN          5.50    (#    259:15  Single Ambig)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 618, 619, 396,
 &end
#
#   55 GLU  QB           14 VAL  HN          5.50    (#    261:15  Preassigned    2.52, 4.72 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 886,
 &end
#
#    0 AMB  15-3:262     14 VAL  HN          5.50    (#    262:15  Single Ambig)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   14 LYS  HA           13 VAL  HN          2.80    (#    263:15  Preassigned    2.32, 2.35 A)
 &rst
  ixpk= 263, nxpk= 15, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 VAL  HA           14 VAL  HN          3.50    (#    264:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG+          14 VAL  HN          4.50    (#    265:15  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   14 VAL  HB           14 VAL  HN          2.80    (#    266:15  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 266, nxpk= 15, iat= 198, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HG-          14 VAL  HN          3.50    (#    267:15  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 888, 889,
 &end
#
#   14 LYS  HB3          13 VAL  HN          3.50    (#    268:15  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG1          14 VAL  HN          4.50    (#    269:15  Unique         4.40, 4.75 A)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 200, 201, 202,
 &end
#
#   14 LYS  HB2          13 VAL  HN          4.50    (#    270:15  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 176, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  QG2          14 VAL  HN          3.50    (#    271:15  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 204, 205, 206,
 &end
#
#   14 LYS  HG-          13 VAL  HN          5.50    (#    272:15  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#    0 AMB  15-3:273     14 VAL  HN          5.50    (#    273:15  Single Ambig)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 134, 436, 863, 864,
 &end
#
#   15 VAL  HN           14 HID  HN          5.50    (#    274:15  Preassigned    4.20, 4.22 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           15 HID  HN          3.50    (#    276:15  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 276, nxpk= 15, iat= 227, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HD2          15 HID  HN          5.50    (#    277:15  Preassigned    3.34, 3.41 A)
 &rst
  ixpk= 277, nxpk= 15, iat= 223, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HN          3.50    (#    278:15  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 278, nxpk= 15, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HA           15 HID  HN          5.50    (#    279:15  Preassigned    3.50, 3.57 A)
 &rst
  ixpk= 279, nxpk= 15, iat= 408, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 VAL  HA           14 HID  HN          2.80    (#    280:15  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 280, nxpk= 15, iat= 196, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 HID  HB3          15 HID  HN          4.50    (#    281:15  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 215, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HN          3.50    (#    282:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 214, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:283     15 HID  HN          5.50    (#    283:15  Single Ambig)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 410, 231, 888, 889,
 &end
#
#    0 AMB  15-3:284     15 HID  HN          5.50    (#    284:15  Single Ambig)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 398, 399,
 &end
#
#   29 ALA  QB           15 HID  HN          4.50    (#    285:15  Preassigned    3.61, 4.63 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-3:286     15 HID  HN          5.50    (#    286:15  Single Ambig)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 177, 136,
 &end
#
#   17 LYS  HG-          15 HID  HN          7.00    (#    287:15  Preassigned    6.52, 7.39 A)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 250, 251,
 &end
#
#   15 VAL  QG1          14 HID  HN          3.50    (#    288:15  Preassigned    2.70, 3.22 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   16 VAL  QG1          15 HID  HN          4.50    (#    289:15  Preassigned    3.71, 4.83 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG2          15 HID  HN          3.50    (#    291:15  Preassigned    2.63, 3.69 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 237, 238, 239,
 &end
#
#    0 AMB  15-3:292     15 HID  HN          5.50    (#    292:15  Single Ambig)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1024,1025,1026,1028,1029,1030, 412, 413, 414,
 &end
#
#   44 ARG  HN           43 ASP  HN          3.50    (#    293:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 685, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ALA  HA           42 ASP  HN          2.80    (#    294:15  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 294, nxpk= 15, iat= 665, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 ASP  HB3          43 ASP  HN          4.50    (#    295:15  Preassigned    2.45, 2.53 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 678, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 SER  HA            4 ILE  HN          2.80    (#    296:15  Preassigned    2.21, 2.26 A)
 &rst
  ixpk= 296, nxpk= 15, iat=  36,  45, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  HA            5 ILE  HN          4.50    (#    297:15  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 297, nxpk= 15, iat=  47,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA            5 ILE  HN          4.50    (#    298:15  Preassigned    3.51, 3.63 A)
 &rst
  ixpk= 298, nxpk= 15, iat=1001,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:299      5 ILE  HN          3.50    (#    299:15  Single Ambig)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#    5 ILE  HB            5 ILE  HN          2.80    (#    300:15  Preassigned    2.24, 2.30 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  49,  45, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  HG1-          5 ILE  HN          3.50    (#    301:15  Preassigned    2.07, 2.97 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#   65 LEU  HB2           5 ILE  HN          5.50    (#    302:15  Preassigned    2.93, 3.42 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1019,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1+          5 ILE  HN          3.50    (#    303:15  Preassigned    2.07, 2.97 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HN          4.50    (#    304:15  Preassigned    4.20, 4.46 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  HN          4.50    (#    305:15  Unique         2.12, 4.24 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   27 GLU  HN           26 GLN  HN          4.50    (#    308:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 308, nxpk= 15, iat= 391, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLY  HN           25 GLN  HN          3.50    (#    309:15  Preassigned    2.58, 2.69 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           26 GLN  HN          5.50    (#    310:15  Preassigned    3.15, 3.26 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 663, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLY  HA+          25 GLN  HN          4.50    (#    312:15  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   26 GLN  HA           26 GLN  HN          3.50    (#    313:15  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 313, nxpk= 15, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLY  HA-          25 GLN  HN          4.50    (#    314:15  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   26 GLN  HG+          26 GLN  HN          4.50    (#    315:15  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB2          26 GLN  HN          2.80    (#    316:15  Preassigned    2.33, 2.44 A)
 &rst
  ixpk= 316, nxpk= 15, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HB3          26 GLN  HN          2.80    (#    317:15  Preassigned    2.44, 2.52 A)
 &rst
  ixpk= 317, nxpk= 15, iat= 379, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 ALA  QB           26 GLN  HN          3.50    (#    318:15  Preassigned    2.42, 3.59 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 667, 668, 669,
 &end
#
#    0 AMB  15-3:320     43 ASP  HN          5.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 663, 647,
 &end
#
#    0 AMB  15-3:321     43 ASP  HN          5.50    (#    321:15  Single Ambig)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  20, 687,
 &end
#
#   43 ASP  HB2          43 ASP  HN          4.50    (#    324:15  Preassigned    2.47, 2.53 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 677, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ALA  QB           42 ASP  HN          4.50    (#    325:15  Preassigned    3.49, 4.19 A)
 &rst
  ixpk= 325, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#    3 VAL  QG1          43 ASP  HN          4.50    (#    326:15  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2          43 ASP  HN          5.50    (#    327:15  Preassigned    2.75, 3.70 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   65 LEU  HN            5 ILE  HN          4.50    (#    329:15  Preassigned    4.19, 4.33 A)
 &rst
  ixpk= 329, nxpk= 15, iat=1015,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           59 VAL  HN          3.50    (#    330:15  Preassigned    3.33, 3.38 A)
 &rst
  ixpk= 330, nxpk= 15, iat= 108, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG1           0 AMB  15-1:331    3.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 941, 942, 943,
 igr2= 935, 915,
 &end
#
#   59 VAL  HA           59 VAL  HN          3.50    (#    332:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 332, nxpk= 15, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 ILE  HA           22 GLU  HN          2.80    (#    334:15  Preassigned    2.31, 2.38 A)
 &rst
  ixpk= 334, nxpk= 15, iat= 313, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HB2          23 GLU  HN          2.80    (#    335:15  Preassigned    2.66, 2.80 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 378, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 ILE  HB           22 GLU  HN          2.80    (#    336:15  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HG+          23 GLU  HN          5.50    (#    339:15  Preassigned    3.58, 4.65 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB3          23 GLU  HN          3.50    (#    340:15  Preassigned    2.36, 2.76 A)
 &rst
  ixpk= 340, nxpk= 15, iat= 379, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HB3          23 GLU  HN          3.50    (#    341:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 341, nxpk= 15, iat= 335, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 ILE  HG1-         22 GLU  HN          5.50    (#    343:15  Preassigned    3.49, 4.16 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   48 VAL  QG2          23 GLU  HN          7.00    (#    344:15  Unique         6.83, 7.46 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 756, 757, 758,
 &end
#
#   23 ILE  QG2          22 GLU  HN          4.50    (#    345:15  Preassigned    3.95, 4.52 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 317, 318, 319,
 &end
#
#   23 ILE  QD1          22 GLU  HN          5.50    (#    346:15  Preassigned    4.36, 5.20 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   58 ASP  HN           57 PHE  HN          5.50    (#    347:15  Preassigned    4.60, 4.65 A)
 &rst
  ixpk= 347, nxpk= 15, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           57 PHE  HN          2.80    (#    348:15  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 348, nxpk= 15, iat= 905, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HB2          58 PHE  HN          2.80    (#    349:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 349, nxpk= 15, iat= 919, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HB3          58 PHE  HN          2.80    (#    350:15  Preassigned    2.37, 2.41 A)
 &rst
  ixpk= 350, nxpk= 15, iat= 920, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 ASP  HB3          57 PHE  HN          3.50    (#    351:15  Preassigned    3.31, 3.53 A)
 &rst
  ixpk= 351, nxpk= 15, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HB2          57 PHE  HN          4.50    (#    352:15  Preassigned    3.87, 3.99 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 PHE  HD           58 VAL  HN          5.50    (#    353:15  Preassigned    3.23, 3.75 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#    10 ASN  HA           59 VAL  HN          4.50    (#    355:15  Preassigned    3.05, 3.12 A)
 &rst
  ixpk= 355, nxpk= 15, iat= 117, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA            0 AMB  15-1:356    2.80    (#    356:15  Single Ambig)
 &rst
  ixpk= 356, nxpk= 15, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 935, 915,
 &end
#
#    0 AMB  15-3:358     59 VAL  HN          4.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 939, 507, 508, 509,
 &end
#
#    5 ILE  QG2          59 VAL  HN          5.50    (#    359:15  Preassigned    5.25, 6.30 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:360     59 VAL  HN          5.50    (#    360:15  Single Ambig)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   59 VAL  QG2          59 VAL  HN          2.80    (#    362:15  Preassigned    2.51, 3.12 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 945, 946, 947,
 &end
#
#   11 LEU  HN            0 AMB  15-1:363    5.50    (#    363:15  Single Ambig)
 &rst
  ixpk= 363, nxpk= 15, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 915,
 &end
#
#    0 AMB  15-3:364     59 VAL  HN          5.50    (#    364:15  Single Ambig)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466,
 &end
#
#   55 GLU  HN           57 ASP  HN          5.50    (#    365:15  Preassigned    4.68, 4.72 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 881, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLY  HN           56 ASP  HN          3.50    (#    367:15  Preassigned    2.65, 2.71 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           57 ASP  HN          3.50    (#    370:15  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 905, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GLY  HA+          56 ASP  HN          3.50    (#    371:15  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#   57 GLY  HA-          56 ASP  HN          4.50    (#    372:15  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 898, 899,
 &end
#
#   55 GLU  HA           57 ASP  HN          4.50    (#    373:15  Preassigned    3.12, 3.72 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 883, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB3          57 ASP  HN          7.00    (#    374:15  Unique         6.92, 6.96 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 920, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 ASP  HB3          57 ASP  HN          2.80    (#    375:15  Preassigned    2.60, 2.68 A)
 &rst
  ixpk= 375, nxpk= 15, iat= 908, 903, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 ASP  HB2          57 ASP  HN          3.50    (#    376:15  Preassigned    2.28, 2.43 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 907, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:377     57 ASP  HN          4.50    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 842, 885, 886,
 &end
#
#   11 LEU  HB3          57 ASP  HN          3.50    (#    378:15  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 378, nxpk= 15, iat= 134, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:379     57 ASP  HN          4.50    (#    379:15  Single Ambig)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 133, 866, 867,
 &end
#
#    0 AMB  15-3:380     57 ASP  HN          4.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 866, 867, 136,
 &end
#
#    0 AMB  15-3:381     57 ASP  HN          5.50    (#    381:15  Single Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 941, 942, 943,
 &end
#
#   11 LEU  QD+          57 ASP  HN          5.50    (#    382:15  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          57 ASP  HN          5.50    (#    383:15  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   44 ARG  HA           24 LYS  HN          5.50    (#    387:15  Preassigned    3.93, 4.26 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 687, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HA           24 LYS  HN          3.50    (#    388:15  Preassigned    2.72, 2.76 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HB+          24 LYS  HN          7.00    (#    389:15  Preassigned    5.48, 6.12 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 689, 690,
 &end
#
#   24 LYS  QG           24 LYS  HN          4.50    (#    390:15  Preassigned    4.28, 4.45 A)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   63 GLY  HN           62 ASP  HN          3.50    (#    393:15  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:394     63 ASP  HN          4.50    (#    394:15  Single Ambig)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 965,
 &end
#
#   64 VAL  HN           63 ASP  HN          4.50    (#    395:15  Preassigned    4.58, 4.59 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 999, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HA           63 ASP  HN          3.50    (#    397:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA+          62 ASP  HN          4.50    (#    398:15  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 982, 983,
 &end
#
#    0 AMB  15-3:399     63 ASP  HN          4.50    (#    399:15  Single Ambig)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 982, 983,  39,
 &end
#
#   61 GLU  HA           63 ASP  HN          4.50    (#    400:15  Preassigned    3.56, 3.62 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 967, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          63 ASP  HN          2.80    (#    401:15  Preassigned    2.51, 2.59 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 992, 987, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HB-          63 ASP  HN          5.50    (#    402:15  Preassigned    4.05, 4.55 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   63 ASP  HB2          63 ASP  HN          3.50    (#    403:15  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 991, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:404     63 ASP  HN          5.50    (#    404:15  Single Ambig)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 939, 972, 973,
 &end
#
#    5 ILE  HB           63 ASP  HN          4.50    (#    405:15  Preassigned    2.49, 2.96 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  49, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  QG2          63 ASP  HN          5.50    (#    406:15  Preassigned    3.94, 4.90 A)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:407     63 ASP  HN          5.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  58,  59,  60, 941, 942, 943,1005,1006,1007,
 &end
#
#   45 SER  HB3          24 LYS  HN          4.50    (#    409:15  Preassigned    3.40, 3.51 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 714, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 SER  HB2          24 LYS  HN          4.50    (#    410:15  Preassigned    3.78, 3.88 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 713, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HB3          24 LYS  HN          2.80    (#    411:15  Preassigned    2.55, 2.62 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 350, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 LYS  HB2          24 LYS  HN          2.80    (#    412:15  Preassigned    2.29, 2.37 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HN           29 ALA  HN          5.50    (#    413:15  Preassigned    4.34, 4.35 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 432, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           29 ALA  HN          5.50    (#    414:15  Preassigned    3.15, 3.20 A)
 &rst
  ixpk= 414, nxpk= 15, iat= 628, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          29 ALA  HN          5.50    (#    415:15  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 415, nxpk= 15, iat= 223, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 VAL  HA           28 ALA  HN          4.50    (#    417:15  Preassigned    3.56, 3.58 A)
 &rst
  ixpk= 417, nxpk= 15, iat= 408, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HA           29 ALA  HN          4.50    (#    418:15  Preassigned    3.64, 3.68 A)
 &rst
  ixpk= 418, nxpk= 15, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HA           29 ALA  HN          3.50    (#    419:15  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 419, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HG+          29 ALA  HN          4.50    (#    420:15  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          29 ALA  HN          7.00    (#    421:15  Preassigned    5.30, 5.36 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 395, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 GLU  HG-          29 ALA  HN          4.50    (#    422:15  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   40 ILE  HB           29 ALA  HN          3.50    (#    423:15  Preassigned    2.64, 2.74 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 632, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ALA  QB           29 ALA  HN          3.50    (#    424:15  Preassigned    2.96, 3.50 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-3:425     29 ALA  HN          5.50    (#    425:15  Single Ambig)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 442, 443, 445, 446, 447, 438, 439, 440,
 &end
#
#   29 VAL  QG2          28 ALA  HN          4.50    (#    426:15  Preassigned    2.73, 3.47 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  15-3:427     29 ALA  HN          4.50    (#    427:15  Single Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1024,1025,1026,1028,1029,1030, 653, 654, 655, 237,
       238, 239,
 &end
#
#    0 AMB  15-3:428     29 ALA  HN          3.50    (#    428:15  Single Ambig)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 634, 635, 636,1024,1025,1026,1028,1029,1030, 412,
       413, 414,
 &end
#
#   31 LEU  HG           29 ALA  HN          7.00    (#    429:15  Preassigned    6.85, 7.05 A)
 &rst
  ixpk= 429, nxpk= 15, iat= 458, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:430     29 ALA  HN          7.00    (#    430:15  Single Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 136, 177,
 &end
#
#   46 GLY  HN           22 ILE  HN          4.50    (#    433:15  Preassigned    2.72, 2.89 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 720, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    434:15  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:435     22 ILE  HN          2.80    (#    435:15  Single Ambig)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 296, 729,
 &end
#
#   22 GLN  HG+          21 ILE  HN          5.50    (#    436:15  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#    0 AMB  15-3:437     22 ILE  HN          4.50    (#    437:15  Single Ambig)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 298, 299, 334,
 &end
#
#   22 ILE  HB           22 ILE  HN          4.50    (#    438:15  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 315, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HG1+         22 ILE  HN          3.50    (#    439:15  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 321, 322,
 &end
#
#   47 ILE  HN           22 ILE  HN          5.50    (#    440:15  Preassigned    4.85, 4.93 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 727, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    441:15  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   47 ILE  HG1-         22 ILE  HN          5.50    (#    442:15  Preassigned    3.81, 5.26 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 737, 738,
 &end
#
#   48 VAL  QG2          22 ILE  HN          4.50    (#    443:15  Preassigned    3.94, 5.09 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#   22 ILE  QG2          22 ILE  HN          3.50    (#    444:15  Preassigned    3.13, 3.95 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 317, 318, 319,
 &end
#
#   22 GLN  HG-          21 ILE  HN          5.50    (#    445:15  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   21 ASP  HB3          20 GLN  HN          4.50    (#    449:15  Preassigned    3.45, 3.80 A)
 &rst
  ixpk= 449, nxpk= 15, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HG+          21 GLN  HN          4.50    (#    450:15  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HN          3.50    (#    451:15  Preassigned    2.91, 2.96 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HA           20 GLN  HN          2.80    (#    452:15  Preassigned    2.20, 2.35 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  HB2          20 GLN  HN          4.50    (#    453:15  Preassigned    3.86, 4.05 A)
 &rst
  ixpk= 453, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  QB           21 GLN  HN          2.80    (#    454:15  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 298, 299,
 &end
#
#   19 GLY  HN           18 ALA  HN          5.50    (#    459:15  Preassigned    4.54, 4.61 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 275, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 LYS  HN           17 ALA  HN          5.50    (#    461:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 LYS  HA           17 ALA  HN          2.80    (#    462:15  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 462, nxpk= 15, iat= 245, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:463     18 ALA  HN          5.50    (#    463:15  Single Ambig)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 786, 277, 278,
 &end
#
#   18 ALA  HA           18 ALA  HN          3.50    (#    464:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 267, 265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 LYS  QB           17 ALA  HN          3.50    (#    466:15  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 247, 248,
 &end
#
#   18 LYS  QD           17 ALA  HN          5.50    (#    467:15  Preassigned    4.50, 5.66 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   18 LYS  HG+          17 ALA  HN          5.50    (#    468:15  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#   18 ALA  QB           18 ALA  HN          2.80    (#    470:15  Preassigned    2.49, 2.89 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#   51 VAL  QG1          18 ALA  HN          5.50    (#    472:15  Preassigned    5.22, 6.57 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 805, 806, 807,
 &end
#
#   48 VAL  QG2          18 ALA  HN          5.50    (#    473:15  Preassigned    5.82, 6.77 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   51 VAL  QG2          18 ALA  HN          3.50    (#    474:15  Preassigned    2.77, 3.77 A)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 809, 810, 811,
 &end
#
#   48 VAL  QG1          18 ALA  HN          4.50    (#    475:15  Preassigned    3.96, 4.74 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  15-3:478     64 VAL  HN          3.50    (#    478:15  Single Ambig)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1003,  49,
 &end
#
#   65 LEU  HB2          64 VAL  HN          7.00    (#    479:15  Preassigned    5.73, 5.97 A)
 &rst
  ixpk= 479, nxpk= 15, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 VAL  QG1          64 VAL  HN          4.50    (#    480:15  Preassigned    2.55, 3.45 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1005,1006,1007,
 &end
#
#   65 LEU  HN           64 VAL  HN          5.50    (#    481:15  Preassigned    4.62, 4.66 A)
 &rst
  ixpk= 481, nxpk= 15, iat=1015, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ASP  HN           63 VAL  HN          5.50    (#    482:15  Preassigned    4.58, 4.59 A)
 &rst
  ixpk= 482, nxpk= 15, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HA           20 ASP  HN          7.00    (#    483:15  Preassigned    5.55, 5.68 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 229, 282, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 ASP  HA           63 VAL  HN          2.80    (#    484:15  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 484, nxpk= 15, iat= 989, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:485     20 ASP  HN          5.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 296,
 &end
#
#   49 LYS  HA           20 ASP  HN          7.00    (#    486:15  Preassigned    5.69, 6.23 A)
 &rst
  ixpk= 486, nxpk= 15, iat= 764, 282, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   49 LYS  HA           18 ALA  HN          7.00    (#    487:15  Preassigned    6.22, 6.89 A)
 &rst
  ixpk= 487, nxpk= 15, iat= 764, 265, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 VAL  HA           64 VAL  HN          3.50    (#    488:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 488, nxpk= 15, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ASP  HB3          63 VAL  HN          4.50    (#    489:15  Preassigned    3.54, 3.62 A)
 &rst
  ixpk= 489, nxpk= 15, iat= 992, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASP  HB2          63 VAL  HN          4.50    (#    490:15  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 991, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  QG2          64 VAL  HN          2.80    (#    491:15  Preassigned    1.93, 2.77 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1009,1010,1011,
 &end
#
#   20 GLY  HN           19 ASP  HN          3.50    (#    496:15  Preassigned    2.55, 2.77 A)
 &rst
  ixpk= 496, nxpk= 15, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HN           20 ASP  HN          5.50    (#    497:15  Preassigned    2.93, 3.64 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 746, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           20 ASP  HN          5.50    (#    498:15  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 243, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HA           20 ASP  HN          3.50    (#    500:15  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 500, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 GLY  HA+          19 ASP  HN          4.50    (#    501:15  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   18 ALA  HA           20 ASP  HN          4.50    (#    502:15  Preassigned    3.45, 3.54 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 GLY  HA-          19 ASP  HN          4.50    (#    503:15  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 503, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   20 ASP  HB3          20 ASP  HN          2.80    (#    504:15  Preassigned    2.47, 2.52 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 287, 282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HB2          20 ASP  HN          3.50    (#    505:15  Preassigned    2.48, 2.57 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 286, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           20 ASP  HN          2.80    (#    506:15  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 750, 282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  QB           20 ASP  HN          5.50    (#    507:15  Preassigned    5.18, 5.43 A)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG2          20 ASP  HN          4.50    (#    508:15  Preassigned    3.94, 4.55 A)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:509     20 ASP  HN          5.50    (#    509:15  Single Ambig)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 809, 810, 811, 740, 741, 742,
 &end
#
#    0 AMB  15-3:510     20 ASP  HN          4.50    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   35 BTL  HA           33 SER  HN          5.50    (#    511:15  Preassigned    4.14, 4.26 A)
 &rst
  ixpk= 511, nxpk= 15, iat= 515, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HA           33 SER  HN          4.50    (#    512:15  Preassigned    3.68, 3.93 A)
 &rst
  ixpk= 512, nxpk= 15, iat= 582, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:513     33 SER  HN          5.50    (#    513:15  Single Ambig)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 475, 549,
 &end
#
#    0 AMB  15-3:514     33 SER  HN          5.50    (#    514:15  Single Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   36 MET  HN           33 SER  HN          4.50    (#    515:15  Preassigned    2.38, 2.52 A)
 &rst
  ixpk= 515, nxpk= 15, iat= 563, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 GLU  HA           32 SER  HN          2.80    (#    516:15  Preassigned    2.18, 2.21 A)
 &rst
  ixpk= 516, nxpk= 15, iat= 472, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 SER  HA           33 SER  HN          4.50    (#    517:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB2          33 SER  HN          4.50    (#    518:15  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 489, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB3          33 SER  HN          4.50    (#    519:15  Preassigned    3.59, 3.66 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB2          33 SER  HN          4.50    (#    520:15  Preassigned    3.33, 3.43 A)
 &rst
  ixpk= 520, nxpk= 15, iat= 567, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 GLU  HG+          32 SER  HN          4.50    (#    521:15  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   33 GLU  HG-          32 SER  HN          4.50    (#    522:15  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:523     33 SER  HN          4.50    (#    523:15  Single Ambig)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 605, 606, 474,
 &end
#
#   38 ILE  QD1          33 SER  HN          5.50    (#    524:15  Preassigned    3.64, 5.75 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HG1-         33 SER  HN          5.50    (#    525:15  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   37 MET  HB2          36 GLU  HN          4.50    (#    526:15  Preassigned    3.37, 3.65 A)
 &rst
  ixpk= 526, nxpk= 15, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  QG2          37 GLU  HN          7.00    (#    527:15  Preassigned    6.86, 7.26 A)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  HA           37 GLU  HN          5.50    (#    528:15  Preassigned    4.89, 5.04 A)
 &rst
  ixpk= 528, nxpk= 15, iat= 597, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 MET  HA           36 GLU  HN          2.80    (#    529:15  Preassigned    2.18, 2.43 A)
 &rst
  ixpk= 529, nxpk= 15, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:530     37 GLU  HN          3.50    (#    530:15  Single Ambig)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 587, 588, 568,
 &end
#
#   37 GLU  QB           37 GLU  HN          3.50    (#    531:15  Preassigned    2.28, 3.27 A)
 &rst
  ixpk= 531, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  HN          4.50    (#    532:15  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   50 GLU  HN           67 GLU  HN          4.50    (#    534:15  Preassigned    2.76, 2.90 A)
 &rst
  ixpk= 534, nxpk= 15, iat= 784,1053, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           67 GLU  HN          5.50    (#    535:15  Preassigned    3.16, 3.56 A)
 &rst
  ixpk= 535, nxpk= 15, iat= 801,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HG1+         47 ILE  HN          4.50    (#    536:15  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   52 LYS  HN           67 GLU  HN          5.50    (#    537:15  Preassigned    4.05, 4.33 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 815,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    539:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 539, nxpk= 15, iat= 729, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA+          46 ILE  HN          3.50    (#    540:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 722, 723,
 &end
#
#   47 GLY  HA-          46 ILE  HN          3.50    (#    541:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 722, 723,
 &end
#
#    0 AMB  15-3:542     47 ILE  HN          2.80    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 731,1073,
 &end
#
#    0 AMB  15-3:543      0 AMB  15-1:543    3.50    (#    543:15  Double Ambig)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 737, 738,1041, 825, 826,
 igr2= 727,1053,
 &end
#
#    0 AMB  15-3:544     67 GLU  HN          3.50    (#    544:15  Single Ambig)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#    0 AMB  15-3:545      0 AMB  15-1:545    4.50    (#    545:15  Double Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 733, 734, 735,
 igr2=1053, 727,
 &end
#
#   69 SER  HN           47 ILE  HN          4.50    (#    546:15  Preassigned    3.04, 3.51 A)
 &rst
  ixpk= 546, nxpk= 15, iat=1087, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           47 ILE  HN          5.50    (#    547:15  Preassigned    2.93, 4.36 A)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   68 LEU  QD2           0 AMB  15-1:548    4.50    (#    548:15  Single Ambig)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1081,1082,1083,
 igr2=1053, 727,
 &end
#
#   67 GLU  HB2          67 GLU  HN          4.50    (#    551:15  Preassigned    2.98, 3.20 A)
 &rst
  ixpk= 551, nxpk= 15, iat=1057,1053, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HA           66 GLU  HN          2.80    (#    552:15  Preassigned    2.19, 2.26 A)
 &rst
  ixpk= 552, nxpk= 15, iat=1036,1053, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:553     67 GLU  HN          3.50    (#    553:15  Single Ambig)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058, 789,
 &end
#
#    8 MET  QG            7 ALA  HN          5.50    (#    555:15  Preassigned    2.32, 3.55 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    9 GLY  HN            8 ALA  HN          4.50    (#    557:15  Preassigned    4.52, 4.60 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 108,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 MET  HN            7 ALA  HN          5.50    (#    558:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 558, nxpk= 15, iat=  81,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            8 ALA  HN          4.50    (#    559:15  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 MET  HA            7 ALA  HN          2.80    (#    560:15  Preassigned    2.27, 2.34 A)
 &rst
  ixpk= 560, nxpk= 15, iat=  83,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 MET  HB+           7 ALA  HN          4.50    (#    561:15  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 561, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    8 MET  HB-           7 ALA  HN          4.50    (#    562:15  Unique         2.88, 3.81 A)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    8 ALA  QB            8 ALA  HN          2.80    (#    563:15  Preassigned    2.37, 2.87 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 102, 103, 104,
 &end
#
#   41 VAL  HA           28 VAL  HN          4.50    (#    564:15  Preassigned    2.35, 2.47 A)
 &rst
  ixpk= 564, nxpk= 15, iat= 649, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           28 VAL  HN          4.50    (#    565:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 565, nxpk= 15, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:566     28 VAL  HN          5.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1024,1025,1026,1028,1029,1030, 657, 658, 659,
 &end
#
#   29 ALA  HN           28 VAL  HN          3.50    (#    567:15  Preassigned    1.89, 1.95 A)
 &rst
  ixpk= 567, nxpk= 15, iat= 422, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 GLU  HG-          27 VAL  HN          5.50    (#    568:15  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#    0 AMB  15-3:569     28 VAL  HN          4.50    (#    569:15  Single Ambig)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 663, 628, 647,
 &end
#
#   56 GLY  HN           55 GLU  HN          5.50    (#    570:15  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 570, nxpk= 15, iat= 896, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HN           54 GLU  HN          5.50    (#    572:15  Preassigned    4.34, 4.36 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 859, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HA           54 GLU  HN          2.80    (#    573:15  Preassigned    2.39, 2.43 A)
 &rst
  ixpk= 573, nxpk= 15, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#    574:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HG+          55 GLU  HN          4.50    (#    575:15  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#    576:15  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HN          2.80    (#    577:15  Preassigned    2.55, 3.15 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 885, 886,
 &end
#
#   55 LYS  QB           54 GLU  HN          3.50    (#    578:15  Preassigned    2.37, 3.15 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   55 LYS  HG-          54 GLU  HN          5.50    (#    579:15  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#   14 VAL  QG2          55 GLU  HN          5.50    (#    580:15  Preassigned    3.02, 3.66 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   28 GLU  HA           27 VAL  HN          2.80    (#    581:15  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 581, nxpk= 15, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 VAL  QG2          28 VAL  HN          4.50    (#    582:15  Preassigned    2.08, 2.97 A)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          28 VAL  HN          3.50    (#    583:15  Preassigned    2.95, 3.85 A)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 412, 413, 414,
 &end
#
#    5 ILE  HN           61 GLU  HN          7.50    (#    584:15  Unique         7.20, 7.34 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  45, 965, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  &end
#
#   61 ASN  HA           60 GLU  HN          2.80    (#    586:15  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 586, nxpk= 15, iat= 953, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HA           61 GLU  HN          4.50    (#    587:15  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 587, nxpk= 15, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HB+          60 GLU  HN          3.50    (#    588:15  Preassigned    2.60, 3.34 A)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 955, 956,
 &end
#
#    8 ALA  QB           61 GLU  HN          3.50    (#    589:15  Preassigned    3.69, 4.61 A)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  HA           59 ASN  HN          2.80    (#    590:15  Preassigned    2.39, 2.41 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 937, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 ASP  HB3          60 ASN  HN          4.50    (#    591:15  Preassigned    1.92, 2.00 A)
 &rst
  ixpk= 591, nxpk= 15, iat= 992, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HB-          60 ASN  HN          3.50    (#    592:15  Preassigned    2.93, 3.21 A)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 955, 956,
 &end
#
#   60 VAL  HB           59 ASN  HN          3.50    (#    593:15  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 939, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  QG1          59 ASN  HN          4.50    (#    594:15  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 941, 942, 943,
 &end
#
#   60 VAL  QG2          59 ASN  HN          5.50    (#    595:15  Preassigned    4.05, 4.78 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  15-3:596     60 ASN  HN          5.50    (#    596:15  Single Ambig)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935,  45,
 &end
#
#   63 ASP  HN           60 ASN  HN          5.50    (#    597:15  Preassigned    3.39, 3.47 A)
 &rst
  ixpk= 597, nxpk= 15, iat= 987, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          54 LYS  HN          5.50    (#    599:15  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 907, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HD+          53 LYS  HN          4.50    (#    600:15  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 847, 848,
 &end
#
#   54 LYS  HA           53 LYS  HN          2.80    (#    601:15  Preassigned    2.58, 2.63 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 839, 859, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 ASP  HB3          54 LYS  HN          4.50    (#    602:15  Preassigned    2.36, 2.53 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 908, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HB3          53 LYS  HN          3.50    (#    603:15  Preassigned    2.15, 2.20 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 LYS  HB2          53 LYS  HN          3.50    (#    604:15  Preassigned    3.30, 3.35 A)
 &rst
  ixpk= 604, nxpk= 15, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 LYS  HA           54 LYS  HN          4.50    (#    605:15  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 605, nxpk= 15, iat= 861, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HD-          53 LYS  HN          5.50    (#    606:15  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   54 LYS  QB           54 LYS  HN          3.50    (#    607:15  Preassigned    3.35, 3.69 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   54 LYS  HG+          54 LYS  HN          3.50    (#    608:15  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 866, 867,
 &end
#
#   11 LEU  QD-          54 LYS  HN          5.50    (#    609:15  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HN           54 LYS  HN          7.00    (#    610:15  Preassigned    5.64, 5.91 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 129, 859, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 ALA  HN           17 LYS  HN          5.50    (#    612:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 265, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  HN          4.50    (#    614:15  Preassigned    2.77, 3.52 A)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 247, 248,
 &end
#
#   20 ASP  HN           17 LYS  HN          5.50    (#    615:15  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 282, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 VAL  HA           16 LYS  HN          2.80    (#    616:15  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 616, nxpk= 15, iat= 229, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 LYS  HA           17 LYS  HN          4.50    (#    617:15  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          17 LYS  HN          4.50    (#    618:15  Preassigned    2.36, 2.51 A)
 &rst
  ixpk= 618, nxpk= 15, iat= 287, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB2          17 LYS  HN          5.50    (#    619:15  Preassigned    2.47, 2.81 A)
 &rst
  ixpk= 619, nxpk= 15, iat= 286, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 VAL  HB           16 LYS  HN          2.80    (#    620:15  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 620, nxpk= 15, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 LYS  QD           17 LYS  HN          5.50    (#    621:15  Preassigned    4.74, 5.36 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   17 LYS  HG+          17 LYS  HN          3.50    (#    622:15  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 250, 251,
 &end
#
#   17 VAL  QG1          16 LYS  HN          4.50    (#    623:15  Preassigned    3.55, 4.32 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          17 LYS  HN          5.50    (#    624:15  Preassigned    3.14, 4.28 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:625     17 LYS  HN          4.50    (#    625:15  Single Ambig)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 809, 810, 811, 237, 238, 239,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  QG1          17 LYS  HN          5.50    (#    626:15  Preassigned    3.34, 4.54 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   17 LYS  HG-          17 LYS  HN          4.50    (#    628:15  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#    5 ILE  HN            7 MET  HN          7.00    (#    630:15  Preassigned    5.62, 5.73 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  45,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 BTL  HN           35 MET  HN          4.50    (#    631:15  Preassigned    2.42, 2.61 A)
 &rst
  ixpk= 631, nxpk= 15, iat= 513, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HN           36 MET  HN          7.00    (#    632:15  Preassigned    6.41, 6.58 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 595, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 BTL  HA           35 MET  HN          4.50    (#    633:15  Preassigned    2.99, 3.17 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 515, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HN          4.50    (#    634:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:635     36 MET  HN          4.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 477, 478, 568, 548,
 &end
#
#   32 GLU  HG-          36 MET  HN          5.50    (#    636:15  Preassigned    3.43, 4.36 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   62 GLY  HN            7 MET  HN          5.50    (#    637:15  Preassigned    4.38, 4.47 A)
 &rst
  ixpk= 637, nxpk= 15, iat= 980,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           36 MET  HN          5.50    (#    638:15  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 638, nxpk= 15, iat= 496, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:639      7 MET  HN          5.50    (#    639:15  Single Ambig)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 987,
 &end
#
#   36 MET  HA           36 MET  HN          4.50    (#    641:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           36 MET  HN          4.50    (#    642:15  Preassigned    2.38, 2.52 A)
 &rst
  ixpk= 642, nxpk= 15, iat= 485, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HN          4.50    (#    643:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:644     36 MET  HN          3.50    (#    644:15  Single Ambig)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 567, 517,
 &end
#
#   31 LEU  HB3           7 MET  HN          7.00    (#    645:15  Preassigned    6.14, 6.45 A)
 &rst
  ixpk= 645, nxpk= 15, iat= 456,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:646     36 MET  HN          5.50    (#    646:15  Single Ambig)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 518, 584, 585,
 &end
#
#    7 GLN  HN            6 MET  HN          3.50    (#    647:15  Preassigned    2.05, 2.14 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HA            7 MET  HN          3.50    (#    649:15  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  83,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 GLN  HA            6 MET  HN          4.50    (#    650:15  Preassigned    3.25, 3.33 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HA            7 MET  HN          5.50    (#    651:15  Preassigned    4.02, 4.11 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  47,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HA            7 MET  HN          5.50    (#    652:15  Preassigned    2.90, 3.04 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 967,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG            7 MET  HN          4.50    (#    653:15  Preassigned    4.34, 4.70 A)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    0 AMB  15-3:654      7 MET  HN          5.50    (#    654:15  Single Ambig)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 972, 973, 939,  92,  93,  94,
 &end
#
#    7 MET  HB+           7 MET  HN          4.50    (#    655:15  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    7 MET  HB-           7 MET  HN          4.50    (#    656:15  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    5 ILE  QG2           7 MET  HN          2.80    (#    657:15  Preassigned    1.89, 2.66 A)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:658      7 MET  HN          5.50    (#    658:15  Single Ambig)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 641, 642, 643, 945, 946, 947, 634, 635, 636,
 &end
#
#    0 AMB  15-3:659      7 MET  HN          5.50    (#    659:15  Single Ambig)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  15-3:660     30 ILE  HN          5.50    (#    660:15  Single Ambig)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 628,
 &end
#
#   30 ALA  HA           29 ILE  HN          2.80    (#    661:15  Preassigned    2.49, 2.54 A)
 &rst
  ixpk= 661, nxpk= 15, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HB           30 ILE  HN          3.50    (#    662:15  Preassigned    2.72, 2.84 A)
 &rst
  ixpk= 662, nxpk= 15, iat= 436, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:663     30 ILE  HN          3.50    (#    663:15  Single Ambig)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   31 LEU  HN           30 ILE  HN          5.50    (#    664:15  Preassigned    4.21, 4.27 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           30 ILE  HN          3.50    (#    665:15  Preassigned    2.66, 2.69 A)
 &rst
  ixpk= 665, nxpk= 15, iat= 172, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HA           30 ILE  HN          4.50    (#    666:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 666, nxpk= 15, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HB-          30 ILE  HN          7.00    (#    667:15  Preassigned    7.02, 7.15 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-3:668     30 ILE  HN          4.50    (#    668:15  Single Ambig)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 136, 177,
 &end
#
#    0 AMB  15-3:669     30 ILE  HN          3.50    (#    669:15  Single Ambig)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#   11 LEU  QD+          30 ILE  HN          4.50    (#    670:15  Preassigned    3.17, 4.92 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HA           30 ILE  HN          7.00    (#    671:15  Preassigned    5.85, 5.95 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 883, 432, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 GLY  HN            9 ASN  HN          5.50    (#    674:15  Preassigned    4.32, 4.34 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD21          10 ASN  HN          5.50    (#    675:15  Preassigned    3.18, 3.23 A)
 &rst
  ixpk= 675, nxpk= 15, iat= 124, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HN          3.50    (#    676:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  QD+           10 ASN  HN          4.50    (#    677:15  Preassigned    2.95, 4.86 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 460, 461, 462, 464, 465, 466,
 &end
#
#   32 GLU  HN            10 ASN  HN          4.50    (#    678:15  Preassigned    3.01, 3.05 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 470, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 GLY  HA+           9 ASN  HN          2.80    (#    680:15  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 110, 111,
 &end
#
#    10 GLY  HA-           9 ASN  HN          2.80    (#    681:15  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 110, 111,
 &end
#
#    10 ASN  HB2           10 ASN  HN          3.50    (#    682:15  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 682, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB3           10 ASN  HN          4.50    (#    683:15  Preassigned    3.79, 3.82 A)
 &rst
  ixpk= 683, nxpk= 15, iat= 120, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB2           10 ASN  HN          5.50    (#    684:15  Preassigned    5.32, 5.46 A)
 &rst
  ixpk= 684, nxpk= 15, iat= 455, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HN          5.50    (#    685:15  Preassigned    3.33, 3.39 A)
 &rst
  ixpk= 685, nxpk= 15, iat= 475, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           69 SER  HN          4.50    (#    686:15  Preassigned    3.05, 3.34 A)
 &rst
  ixpk= 686, nxpk= 15, iat= 762,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           69 SER  HN          4.50    (#    688:15  Preassigned    3.04, 3.51 A)
 &rst
  ixpk= 688, nxpk= 15, iat= 727,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LEU  HA           68 SER  HN          2.80    (#    689:15  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 689, nxpk= 15, iat=1070,1087, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 SER  HA           69 SER  HN          4.50    (#    692:15  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 692, nxpk= 15, iat=1089,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           69 SER  HN          3.50    (#    693:15  Preassigned    2.40, 3.05 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1091,1092,
 &end
#
#   48 VAL  HA           69 SER  HN          4.50    (#    694:15  Preassigned    3.64, 3.79 A)
 &rst
  ixpk= 694, nxpk= 15, iat= 748,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:695     69 SER  HN          3.50    (#    695:15  Single Ambig)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1073, 766, 731,
 &end
#
#   69 LEU  HB2          68 SER  HN          4.50    (#    696:15  Preassigned    3.41, 3.81 A)
 &rst
  ixpk= 696, nxpk= 15, iat=1072,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  QG1          69 SER  HN          5.50    (#    697:15  Unique         5.76, 6.52 A)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   69 LEU  QD2          68 SER  HN          4.50    (#    698:15  Preassigned    4.13, 4.93 A)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#    5 ILE  HN           62 GLY  HN          5.50    (#    702:15  Preassigned    4.12, 4.20 A)
 &rst
  ixpk= 702, nxpk= 15, iat=  45, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP  HN           43 ARG  HN          3.50    (#    706:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 706, nxpk= 15, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:707     44 ARG  HN          5.50    (#    707:15  Single Ambig)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 709, 345, 374,
 &end
#
#    0 AMB  15-3:708     44 ARG  HN          3.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 711,
 &end
#
#   44 ARG  HA           44 ARG  HN          3.50    (#    709:15  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 709, nxpk= 15, iat= 687, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HA           44 ARG  HN          4.50    (#    710:15  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 710, nxpk= 15, iat= 665, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           44 ARG  HN          4.50    (#    711:15  Preassigned    3.14, 3.61 A)
 &rst
  ixpk= 711, nxpk= 15, iat= 347, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  QD           44 ARG  HN          5.50    (#    712:15  Preassigned    2.22, 4.17 A)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   44 ASP  HB2          43 ARG  HN          5.50    (#    713:15  Preassigned    4.17, 4.25 A)
 &rst
  ixpk= 713, nxpk= 15, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP  HB3          43 ARG  HN          5.50    (#    714:15  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 714, nxpk= 15, iat= 678, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HB+          44 ARG  HN          4.50    (#    715:15  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   24 LYS  HB3          44 ARG  HN          7.00    (#    716:15  Preassigned    5.49, 6.02 A)
 &rst
  ixpk= 716, nxpk= 15, iat= 350, 685, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   42 ALA  QB           44 ARG  HN          3.50    (#    717:15  Preassigned    2.50, 3.77 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 667, 668, 669,
 &end
#
#   44 ARG  HG-          44 ARG  HN          4.50    (#    718:15  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 692, 693,
 &end
#
#   24 LYS  QG           44 ARG  HN          5.50    (#    719:15  Preassigned    3.16, 4.84 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#    3 VAL  QG1          44 ARG  HN          5.50    (#    720:15  Preassigned    4.19, 5.18 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#    0 AMB  15-3:721     44 ARG  HN          5.50    (#    721:15  Single Ambig)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079, 324, 325, 326,
 &end
#
#    0 AMB  15-3:723     62 GLY  HN          5.50    (#    723:15  Single Ambig)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989,  83,
 &end
#
#   63 ASP  HN           62 GLY  HN          3.50    (#    724:15  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 987, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLY  HA+          62 GLY  HN          3.50    (#    725:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 983,
 &end
#
#   62 GLY  HA-          62 GLY  HN          2.80    (#    726:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
#   62 GLU  HA           61 GLY  HN          2.80    (#    727:15  Preassigned    2.17, 2.19 A)
 &rst
  ixpk= 727, nxpk= 15, iat= 967, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLU  HG-          61 GLY  HN          4.50    (#    729:15  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 972, 973,
 &end
#
#    5 ILE  QG2          62 GLY  HN          5.50    (#    730:15  Preassigned    3.76, 5.00 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:731     62 GLY  HN          5.50    (#    731:15  Single Ambig)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 951,
 &end
#
#    0 AMB  15-3:732     62 GLY  HN          4.50    (#    732:15  Single Ambig)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  49, 970,
 &end
#
#    0 AMB  15-3:734     25 GLY  HN          5.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 378, 337, 338, 337, 338,
 &end
#
#   42 ALA  HN           25 GLY  HN          4.50    (#    736:15  Preassigned    3.44, 3.52 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 663, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           25 GLY  HN          3.50    (#    737:15  Preassigned    2.58, 2.69 A)
 &rst
  ixpk= 737, nxpk= 15, iat= 374, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:738     25 GLY  HN          5.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 711,
 &end
#
#   25 GLY  HA+          25 GLY  HN          3.50    (#    739:15  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA-          25 GLY  HN          2.80    (#    740:15  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 369, 370,
 &end
#
#   25 LYS  HA           24 GLY  HN          2.80    (#    741:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:742     25 GLY  HN          5.50    (#    742:15  Single Ambig)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 350, 355, 356, 315,
 &end
#
#   42 ALA  QB           25 GLY  HN          4.50    (#    743:15  Preassigned    2.48, 3.73 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   25 LYS  QG           24 GLY  HN          3.50    (#    744:15  Preassigned    2.88, 3.20 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#    0 AMB  15-3:747     53 LYS  HN          4.50    (#    747:15  Single Ambig)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 820, 847, 848,
 &end
#
#   53 LYS  HN           52 LYS  HN          2.80    (#    750:15  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 750, nxpk= 15, iat= 815, 837, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LYS  HA           53 LYS  HN          3.50    (#    753:15  Preassigned    2.93, 2.95 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:754     53 LYS  HN          3.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 817, 801,
 &end
#
#   50 GLU  HB3          53 LYS  HN          7.00    (#    755:15  Preassigned    7.00, 7.05 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 789, 837, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HD+          53 LYS  HN          5.50    (#    756:15  Preassigned    4.47, 4.95 A)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    0 AMB  15-3:757     53 LYS  HN          4.50    (#    757:15  Single Ambig)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845, 825, 826, 866, 867,
 &end
#
#   53 LYS  HB2          53 LYS  HN          3.50    (#    758:15  Preassigned    2.73, 2.80 A)
 &rst
  ixpk= 758, nxpk= 15, iat= 841, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  QG1          53 LYS  HN          2.80    (#    759:15  Unique         2.09, 3.29 A)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  15-3:760     53 LYS  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1024,1025,1026,1028,1029,1030,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   58 PHE  HE           60 ASN  HD21        5.50    (#    762:15  Preassigned    3.54, 4.04 A)
 &rst
  ixpk= 762, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#    0 AMB  15-3:764     60 ASN  HD21        5.50    (#    764:15  Single Ambig)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 951,
 &end
#
#    9 GLY  HN           60 ASN  HD21        3.50    (#    765:15  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 108, 960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:767     60 ASN  HD21        7.00    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 937,  83,
 &end
#
#   60 ASN  HB-          60 ASN  HD21        4.50    (#    768:15  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#    0 AMB  15-3:770     60 ASN  HD22        5.50    (#    770:15  Single Ambig)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 965,
 &end
#
#    9 GLY  HN           60 ASN  HD22        3.50    (#    773:15  Preassigned    2.72, 2.75 A)
 &rst
  ixpk= 773, nxpk= 15, iat= 108, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HE           60 ASN  HD22        5.50    (#    774:15  Preassigned    3.18, 3.65 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   60 ASN  HB+          60 ASN  HD22        5.50    (#    777:15  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB-          60 ASN  HD22        4.50    (#    778:15  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#   50 LYS  HN           49 GLU  HN          2.80    (#    780:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 780, nxpk= 15, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLU  HN           50 GLU  HN          3.50    (#    781:15  Preassigned    2.76, 2.90 A)
 &rst
  ixpk= 781, nxpk= 15, iat=1053, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:783     50 GLU  HN          4.50    (#    783:15  Single Ambig)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1036,
 &end
#
#   50 GLU  HA           50 GLU  HN          3.50    (#    784:15  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HA           50 GLU  HN          4.50    (#    785:15  Preassigned    3.70, 3.78 A)
 &rst
  ixpk= 785, nxpk= 15, iat= 748, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HB2          50 GLU  HN          4.50    (#    786:15  Preassigned    4.14, 4.60 A)
 &rst
  ixpk= 786, nxpk= 15, iat=1057, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HB2          50 GLU  HN          4.50    (#    787:15  Preassigned    2.88, 3.17 A)
 &rst
  ixpk= 787, nxpk= 15, iat= 788, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:788     50 GLU  HN          2.80    (#    788:15  Single Ambig)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1058, 789,
 &end
#
#    0 AMB  15-3:789     50 GLU  HN          4.50    (#    789:15  Single Ambig)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 766, 772, 773,
 &end
#
#   50 LYS  HB3          49 GLU  HN          2.80    (#    790:15  Preassigned    2.45, 2.57 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:791     50 GLU  HN          4.50    (#    791:15  Single Ambig)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 769, 770, 269, 270, 271,
 &end
#
#   48 VAL  QG1          50 GLU  HN          3.50    (#    792:15  Preassigned    2.78, 3.38 A)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  15-3:793     50 GLU  HN          5.50    (#    793:15  Single Ambig)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799,1087,
 &end
#
#    0 AMB  15-3:794     50 GLU  HN          4.50    (#    794:15  Single Ambig)
 &rst
  ixpk= 794, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   30 ILE  HN           56 GLY  HN          7.00    (#    795:15  Preassigned    6.22, 6.47 A)
 &rst
  ixpk= 795, nxpk= 15, iat= 432, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 ASN  HN            10 ASN  HD21        5.50    (#    796:15  Preassigned    3.18, 3.23 A)
 &rst
  ixpk= 796, nxpk= 15, iat= 115, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 GLY  HN            9 ASN  HD21        5.50    (#    797:15  Preassigned    5.65, 5.71 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2           10 ASN  HD21        3.50    (#    801:15  Preassigned    2.29, 2.30 A)
 &rst
  ixpk= 801, nxpk= 15, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB3           10 ASN  HD21        4.50    (#    802:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 802, nxpk= 15, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA            10 ASN  HD22        5.50    (#    803:15  Preassigned    4.41, 4.44 A)
 &rst
  ixpk= 803, nxpk= 15, iat= 117, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2           10 ASN  HD22        4.50    (#    806:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 806, nxpk= 15, iat= 119, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3           10 ASN  HD22        5.50    (#    807:15  Preassigned    4.09, 4.10 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN            10 ASN  HD22        5.50    (#    808:15  Preassigned    4.36, 4.43 A)
 &rst
  ixpk= 808, nxpk= 15, iat= 115, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLU  HG-          55 GLY  HN          5.50    (#    809:15  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   56 GLU  HN           55 GLY  HN          5.50    (#    810:15  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 810, nxpk= 15, iat= 881, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           56 GLY  HN          3.50    (#    811:15  Preassigned    2.65, 2.71 A)
 &rst
  ixpk= 811, nxpk= 15, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HA           56 GLY  HN          5.50    (#    812:15  Preassigned    3.27, 3.47 A)
 &rst
  ixpk= 812, nxpk= 15, iat= 150, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HA+          56 GLY  HN          3.50    (#    813:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 813, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#   56 GLY  HA-          56 GLY  HN          2.80    (#    814:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HN          2.80    (#    815:15  Preassigned    2.12, 2.13 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 883, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 GLU  QB           55 GLY  HN          4.50    (#    817:15  Preassigned    2.76, 3.85 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 885, 886,
 &end
#
#   11 LEU  HB3          56 GLY  HN          4.50    (#    818:15  Preassigned    2.91, 3.01 A)
 &rst
  ixpk= 818, nxpk= 15, iat= 134, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          56 GLY  HN          4.50    (#    819:15  Preassigned    2.80, 4.46 A)
 &rst
  ixpk= 819, nxpk= 15, iat= 133, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  QG2          56 GLY  HN          5.50    (#    820:15  Preassigned    3.90, 4.93 A)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   13 TRP  HA           12 LYS  HN          4.50    (#    821:15  Preassigned    3.66, 3.67 A)
 &rst
  ixpk= 821, nxpk= 15, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 TRP  HB2          12 LYS  HN          4.50    (#    822:15  Preassigned    3.87, 4.00 A)
 &rst
  ixpk= 822, nxpk= 15, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:823     13 LYS  HN          4.50    (#    823:15  Single Ambig)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 426, 427, 428, 133,
 &end
#
#    0 AMB  15-3:824     13 LYS  HN          4.50    (#    824:15  Single Ambig)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 179, 180, 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HN           13 LYS  HN          3.50    (#    825:15  Preassigned    2.66, 2.69 A)
 &rst
  ixpk= 825, nxpk= 15, iat= 432, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 TRP  HN           12 LYS  HN          3.50    (#    826:15  Preassigned    2.48, 3.39 A)
 &rst
  ixpk= 826, nxpk= 15, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HA           13 LYS  HN          3.50    (#    827:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 827, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HA           13 LYS  HN          5.50    (#    828:15  Preassigned    3.78, 4.06 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 131, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 TRP  HB3          12 LYS  HN          3.50    (#    829:15  Preassigned    2.49, 2.62 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HB           13 LYS  HN          3.50    (#    830:15  Preassigned    2.43, 2.61 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 436, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:831     13 LYS  HN          4.50    (#    831:15  Single Ambig)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 136, 177, 182, 183,
 &end
#
#   13 LYS  HB2          13 LYS  HN          3.50    (#    832:15  Preassigned    2.73, 2.88 A)
 &rst
  ixpk= 832, nxpk= 15, iat= 176, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG2          13 LYS  HN          5.50    (#    833:15  Preassigned    4.25, 5.02 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   14 VAL  HN           13 LYS  HN          5.50    (#    834:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 834, nxpk= 15, iat= 194, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:835     13 LYS  HN          7.00    (#    835:15  Single Ambig)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 167, 220,
 &end
#
#   21 GLN  HE22         70 ASN  HD22        7.00    (#    843:15  Preassigned    4.14, 6.58 A)
 &rst
  ixpk= 843, nxpk= 15, iat= 307,1108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 ASN  HB+          70 ASN  HD21        5.50    (#    845:15  Preassigned    3.53, 3.80 A)
 &rst
  ixpk= 845, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   70 ASN  HB-          70 ASN  HD21        5.50    (#    846:15  Preassigned    3.53, 3.80 A)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   45 ARG  HN           44 SER  HN          5.50    (#    850:15  Preassigned    4.25, 4.32 A)
 &rst
  ixpk= 850, nxpk= 15, iat= 685, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           19 GLY  HN          5.50    (#    867:15  Preassigned    3.48, 3.67 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 764, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HN           18 GLY  HN          5.50    (#    868:15  Unique         4.54, 4.61 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           19 GLY  HN          3.50    (#    869:15  Preassigned    2.55, 2.77 A)
 &rst
  ixpk= 869, nxpk= 15, iat= 282, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLY  HA+          19 GLY  HN          3.50    (#    870:15  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 277, 278,
 &end
#
#   19 ALA  HA           18 GLY  HN          2.80    (#    871:15  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 871, nxpk= 15, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 GLY  HA-          19 GLY  HN          2.80    (#    872:15  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 277, 278,
 &end
#
#   48 VAL  HB           19 GLY  HN          3.50    (#    873:15  Preassigned    2.73, 2.96 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 750, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ALA  QB           18 GLY  HN          3.50    (#    874:15  Preassigned    2.98, 3.85 A)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG2          19 GLY  HN          5.50    (#    875:15  Preassigned    5.02, 5.49 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:876     19 GLY  HN          5.50    (#    876:15  Single Ambig)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 809, 810, 811, 740, 741, 742,
 &end
#
#    0 AMB  15-3:877     19 GLY  HN          3.50    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   45 ARG  HN           44 SER  HN          5.50    (#    878:15  Preassigned    4.25, 4.32 A)
 &rst
  ixpk= 878, nxpk= 15, iat= 685, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HB2          45 SER  HN          3.50    (#    879:15  Preassigned    2.44, 2.54 A)
 &rst
  ixpk= 879, nxpk= 15, iat= 713, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 ARG  HB-          44 SER  HN          4.50    (#    880:15  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   45 SER  HA           45 SER  HN          3.50    (#    881:15  Preassigned    2.83, 2.89 A)
 &rst
  ixpk= 881, nxpk= 15, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 ARG  HA           44 SER  HN          2.80    (#    883:15  Preassigned    2.27, 2.35 A)
 &rst
  ixpk= 883, nxpk= 15, iat= 687, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 SER  HB3          45 SER  HN          4.50    (#    884:15  Preassigned    3.49, 3.57 A)
 &rst
  ixpk= 884, nxpk= 15, iat= 714, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HB+          44 SER  HN          4.50    (#    885:15  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   24 LYS  HB2          45 SER  HN          4.50    (#    886:15  Preassigned    2.43, 2.83 A)
 &rst
  ixpk= 886, nxpk= 15, iat= 349, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HG-          44 SER  HN          5.50    (#    887:15  Preassigned    3.61, 4.66 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
#   66 LEU  HN           65 LEU  HN          2.80    (#    890:15  Preassigned    1.92, 2.01 A)
 &rst
  ixpk= 890, nxpk= 15, iat=1015,1034, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           66 LEU  HN          3.50    (#    891:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 891, nxpk= 15, iat=1036,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           65 LEU  HN          4.50    (#    893:15  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 893, nxpk= 15, iat=1017,1034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA           66 LEU  HN          4.50    (#    894:15  Preassigned    4.09, 4.20 A)
 &rst
  ixpk= 894, nxpk= 15, iat=1001,1034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 VAL  HB           66 LEU  HN          3.50    (#    895:15  Preassigned    2.77, 3.19 A)
 &rst
  ixpk= 895, nxpk= 15, iat=  22,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          4.50    (#    896:15  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#    0 AMB  15-3:897     66 LEU  HN          2.80    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1020,1038,1039,
 &end
#
#   66 LEU  HG           66 LEU  HN          5.50    (#    898:15  Preassigned    3.13, 4.10 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1041,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HG           65 LEU  HN          5.50    (#    899:15  Preassigned    3.42, 3.96 A)
 &rst
  ixpk= 899, nxpk= 15, iat=1022,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:900     66 LEU  HN          4.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 822, 823,1019,
 &end
#
#    0 AMB  15-3:901     66 LEU  HN          4.50    (#    901:15  Single Ambig)
 &rst
  ixpk= 901, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  15-3:902     66 LEU  HN          3.50    (#    902:15  Single Ambig)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1005,1006,1007,
 &end
#
#    6 GLN  HG+           6 GLN  HE21        4.50    (#    907:15  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:908      0 AMB  15-1:908    4.50    (#    908:15  Double Ambig)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 301, 302,  71,  72,
 igr2= 306,  76,
 &end
#
#    0 AMB  15-3:909      6 GLN  HE21        4.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#   70 ASN  HD22         21 GLN  HE21        7.00    (#    911:15  Preassigned    5.23, 6.29 A)
 &rst
  ixpk= 911, nxpk= 15, iat=1108, 306, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:915      6 GLN  HE22        4.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#    0 AMB  15-3:916      6 GLN  HE22        5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#   40 ILE  HA            6 GLN  HE22        5.50    (#    919:15  Preassigned    3.32, 4.08 A)
 &rst
  ixpk= 919, nxpk= 15, iat= 630,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HE22        5.50    (#    920:15  Preassigned    2.22, 2.98 A)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:921      0 AMB  15-1:921    5.50    (#    921:15  Double Ambig)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 301, 302,  71,  72,
 igr2= 307,  77,
 &end
#
#    0 AMB  15-3:922      0 AMB  15-1:922    5.50    (#    922:15  Double Ambig)
 &rst
  ixpk= 922, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 722, 723, 714,  47,
 igr2= 307,  77,
 &end
#
#   21 GLN  HG+          21 GLN  HE22        5.50    (#    927:15  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   33 SER  HN           35 BTL  HN          5.50    (#    930:15  Preassigned    3.11, 3.22 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 485, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HN           34 BTL  HN          4.50    (#    931:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HN           35 BTL  HN          3.50    (#    932:15  Preassigned    2.42, 2.61 A)
 &rst
  ixpk= 932, nxpk= 15, iat= 563, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 SER  HA           35 BTL  HN          5.50    (#    933:15  Preassigned    4.24, 4.37 A)
 &rst
  ixpk= 933, nxpk= 15, iat= 487, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HA           34 BTL  HN          3.50    (#    934:15  Preassigned    2.57, 2.61 A)
 &rst
  ixpk= 934, nxpk= 15, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HA           35 BTL  HN          5.50    (#    935:15  Preassigned    4.26, 4.49 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 472, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           35 BTL  HN          2.80    (#    936:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:937     35 BTL  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 545, 503, 504,
 &end
#
#    0 AMB  15-3:938     35 BTL  HN          4.50    (#    938:15  Single Ambig)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 517, 500, 501,
 &end
#
#   32 GLU  HG+          35 BTL  HN          4.50    (#    939:15  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   35 BTL  HB3          35 BTL  HN          5.50    (#    940:15  Preassigned    3.93, 4.07 A)
 &rst
  ixpk= 940, nxpk= 15, iat= 518, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HG-          35 BTL  HN          3.50    (#    941:15  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 941, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   35 BTL  HD+          35 BTL  HN          5.50    (#    942:15  Unique         2.70, 5.39 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HN          4.50    (#    943:15  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#    0 AMB  15-3:944     35 BTL  HN          4.50    (#    944:15  Single Ambig)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 520, 521, 540,
 &end
#
#   26 GLN  HG-          26 GLN  HE21        3.50    (#    951:15  Unique         2.27, 3.76 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   27 GLU  HG-          26 GLN  HE21        7.00    (#    952:15  Preassigned    4.86, 7.14 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 398, 399,
 &end
#
#   26 GLN  HG+          26 GLN  HE21        3.50    (#    954:15  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   16 VAL  QG1          26 GLN  HE21        4.50    (#    955:15  Preassigned    3.04, 4.01 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   22 ILE  QG2          26 GLN  HE21        5.50    (#    956:15  Preassigned    2.26, 3.46 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  HA           26 GLN  HE22        5.50    (#    959:15  Preassigned    2.35, 4.61 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 313, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HG+          26 GLN  HE22        5.50    (#    960:15  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 381, 382,
 &end
#
#   26 GLN  HG-          26 GLN  HE22        4.50    (#    961:15  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   16 VAL  QG1          26 GLN  HE22        4.50    (#    962:15  Preassigned    3.70, 4.53 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   22 ILE  QG2          26 GLN  HE22        5.50    (#    963:15  Preassigned    2.55, 4.36 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  HN           46 GLY  HN          4.50    (#    964:15  Preassigned    2.72, 2.89 A)
 &rst
  ixpk= 964, nxpk= 15, iat= 311, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 SER  HA           45 GLY  HN          2.80    (#    966:15  Preassigned    2.26, 2.38 A)
 &rst
  ixpk= 966, nxpk= 15, iat= 711, 720, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 GLY  HA+          46 GLY  HN          4.50    (#    967:15  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 723,
 &end
#
#    0 AMB  15-3:968     46 GLY  HN          4.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 714, 722, 723,
 &end
#
#   46 SER  HB2          45 GLY  HN          4.50    (#    969:15  Preassigned    3.62, 3.77 A)
 &rst
  ixpk= 969, nxpk= 15, iat= 713, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:970     46 GLY  HN          5.50    (#    970:15  Single Ambig)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 315, 731,
 &end
#
#   22 ILE  HG1-         46 GLY  HN          4.50    (#    971:15  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1+         46 GLY  HN          5.50    (#    972:15  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  QD1          46 GLY  HN          5.50    (#    974:15  Preassigned    4.46, 5.07 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  15-3:976     16 VAL  HN          5.50    (#    976:15  Single Ambig)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 413, 414, 752, 753, 754,
 &end
#
#   48 VAL  QG2          16 VAL  HN          5.50    (#    977:15  Preassigned    5.84, 6.90 A)
 &rst
  ixpk= 977, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          16 VAL  HN          7.00    (#    978:15  Preassigned    6.02, 7.24 A)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 752, 753, 754,
 &end
#
#   28 VAL  HN           16 VAL  HN          7.00    (#    979:15  Preassigned    7.07, 7.09 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 406, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:980     16 VAL  HN          3.50    (#    980:15  Single Ambig)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 229, 212,
 &end
#
#    0 AMB  15-3:981     16 VAL  HN          5.50    (#    981:15  Single Ambig)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 803,
 &end
#
#   14 VAL  QG1          16 VAL  HN          3.50    (#    982:15  Preassigned    2.13, 3.05 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   16 VAL  QG1          16 VAL  HN          4.50    (#    983:15  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   16 HID  HN           15 VAL  HN          3.50    (#    984:15  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 984, nxpk= 15, iat= 210, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  QG2          16 VAL  HN          2.80    (#    986:15  Preassigned    2.23, 2.91 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 237, 238, 239,
 &end
#
#   16 VAL  HA           16 VAL  HN          4.50    (#    987:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  QG1          16 VAL  HN          3.50    (#    988:15  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 988, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          16 VAL  HN          5.50    (#    989:15  Preassigned    5.84, 6.90 A)
 &rst
  ixpk= 989, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   59 VAL  QG1           9 GLY  HN          7.00    (#    991:15  Unique         6.22, 6.55 A)
 &rst
  ixpk= 991, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 941, 942, 943,
 &end
#
#   59 VAL  HN            9 GLY  HN          3.50    (#    992:15  Preassigned    3.33, 3.38 A)
 &rst
  ixpk= 992, nxpk= 15, iat= 935, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:993      9 GLY  HN          5.50    (#    993:15  Single Ambig)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 965,
 &end
#
#   60 ASN  HD21          9 GLY  HN          3.50    (#    994:15  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 994, nxpk= 15, iat= 960, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HA            9 GLY  HN          4.50    (#    995:15  Preassigned    3.02, 3.10 A)
 &rst
  ixpk= 995, nxpk= 15, iat= 953, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ALA  HA            8 GLY  HN          2.80    (#    996:15  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 996, nxpk= 15, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 GLY  HA+           9 GLY  HN          3.50    (#    997:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA-           9 GLY  HN          3.50    (#    998:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 110, 111,
 &end
#
#    0 AMB  15-3:999      9 GLY  HN          5.50    (#    999:15  Single Ambig)
 &rst
  ixpk= 999, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 507, 508, 509, 939,
 &end
#
#    9 ALA  QB            8 GLY  HN          3.50    (#   1000:15  Preassigned    3.26, 3.94 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 102, 103, 104,
 &end
#
#    5 ILE  QG2           9 GLY  HN          5.50    (#   1001:15  Preassigned    4.80, 5.50 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   59 VAL  QG2           9 GLY  HN          4.50    (#   1002:15  Preassigned    3.10, 4.24 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  15-3:1003     9 GLY  HN          4.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  15-3:1004     9 GLY  HN          5.50    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 925, 929,  81,
 &end
#
#   58 PHE  HD            9 GLY  HN          5.50    (#   1005:15  Preassigned    4.66, 5.66 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#    0 AMB  15-3:1006    49 LYS  HN          5.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1058,1038,1039, 789,
 &end
#
#   67 GLU  HB2          49 LYS  HN          5.50    (#   1007:15  Preassigned    5.50, 5.74 A)
 &rst
  ixpk= 1007, nxpk= 15, iat=1057, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HB           48 LYS  HN          5.50    (#   1008:15  Preassigned    4.03, 4.28 A)
 &rst
  ixpk= 1008, nxpk= 15, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HN           49 LYS  HN          5.50    (#   1009:15  Preassigned    4.56, 4.79 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 275, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HN           48 LYS  HN          5.50    (#   1010:15  Preassigned    4.47, 4.54 A)
 &rst
  ixpk= 1010, nxpk= 15, iat= 746, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3          12 TRP  HN          5.50    (#   1011:15  Preassigned    3.26, 3.41 A)
 &rst
  ixpk= 1011, nxpk= 15, iat= 475, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1012    12 TRP  HN          5.50    (#   1012:15  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 120, 559,
 &end
#
#   55 GLU  HG-          12 TRP  HN          7.00    (#   1013:15  Preassigned    6.33, 7.42 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#    10 ASN  HB2          12 TRP  HN          5.50    (#   1014:15  Preassigned    3.94, 4.13 A)
 &rst
  ixpk= 1014, nxpk= 15, iat= 119, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1015    12 TRP  HN          5.50    (#   1015:15  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 582,
 &end
#
#    0 AMB  15-3:1016    12 TRP  HN          5.50    (#   1016:15  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 472,
 &end
#
#   12 TRP  HD1          12 TRP  HN          5.50    (#   1017:15  Preassigned    4.90, 4.96 A)
 &rst
  ixpk= 1017, nxpk= 15, iat= 156, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           12 TRP  HN          5.50    (#   1021:15  Preassigned    4.40, 5.09 A)
 &rst
  ixpk= 1021, nxpk= 15, iat= 451, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HN           11 TRP  HN          5.50    (#   1022:15  Preassigned    3.61, 3.75 A)
 &rst
  ixpk= 1022, nxpk= 15, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1023    31 LEU  HN          5.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
       464, 465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   40 ILE  QD1          31 LEU  HN          5.50    (#   1024:15  Preassigned    3.21, 4.28 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 641, 642, 643,
 &end
#
#   38 ILE  HG1-         31 LEU  HN          5.50    (#   1026:15  Preassigned    4.81, 5.52 A)
 &rst
  ixpk= 1026, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   40 ILE  HG1-         31 LEU  HN          5.50    (#   1027:15  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   39 PRO  HG+          31 LEU  HN          7.00    (#   1029:15  Unique         6.45, 6.80 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 618, 619,
 &end
#
#   31 ILE  HN           30 LEU  HN          5.50    (#   1030:15  Preassigned    4.21, 4.27 A)
 &rst
  ixpk= 1030, nxpk= 15, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HD-          12 TRP  HE1         5.50    (#   1031:15  Preassigned    2.68, 4.31 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   35 BTL  H73          12 TRP  HE1         7.00    (#   1032:15  Preassigned    6.09, 6.65 A)
 &rst
  ixpk= 1032, nxpk= 15, iat= 543, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HB           12 TRP  HE1         7.00    (#   1033:15  Preassigned    5.78, 5.93 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 436, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H5           12 TRP  HE1         7.00    (#   1034:15  Preassigned    5.75, 5.88 A)
 &rst
  ixpk= 1034, nxpk= 15, iat= 551, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HB2          12 TRP  HE1         5.50    (#   1035:15  Preassigned    5.15, 5.16 A)
 &rst
  ixpk= 1035, nxpk= 15, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           12 TRP  HE1         7.00    (#   1037:15  Preassigned    5.88, 6.15 A)
 &rst
  ixpk= 1037, nxpk= 15, iat= 174, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HA           12 TRP  HE1         5.50    (#   1038:15  Preassigned    5.05, 5.22 A)
 &rst
  ixpk= 1038, nxpk= 15, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HE1         5.50    (#   1039:15  Preassigned    4.09, 4.57 A)
 &rst
  ixpk= 1039, nxpk= 15, iat= 557, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN3          12 TRP  HE1         5.50    (#   1040:15  Preassigned    5.43, 5.52 A)
 &rst
  ixpk= 1040, nxpk= 15, iat= 553, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HG+          35 BTL  HZ1         4.50    (#   1042:15  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HZ1         5.50    (#   1043:15  Preassigned    3.93, 4.72 A)
 &rst
  ixpk= 1043, nxpk= 15, iat= 518, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           35 BTL  HZ1         5.50    (#   1045:15  Preassigned    3.76, 4.85 A)
 &rst
  ixpk= 1045, nxpk= 15, iat= 515, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          27 GLU  HN          5.50    (#   1047:15  Preassigned    5.89, 6.88 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          27 GLU  HN          5.50    (#   1048:15  Preassigned    4.88, 5.77 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 412, 413, 414,
 &end
#
#   42 ALA  QB           27 GLU  HN          7.00    (#   1049:15  Preassigned    6.01, 6.70 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 667, 668, 669,
 &end
#
#   23 GLU  HB3          27 GLU  HN          7.00    (#   1050:15  Preassigned    6.80, 7.12 A)
 &rst
  ixpk= 1050, nxpk= 15, iat= 335, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   39 PRO  HB+          27 GLU  HN          7.00    (#   1052:15  Preassigned    6.25, 6.89 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#   28 VAL  HA           27 GLU  HN          5.50    (#   1054:15  Preassigned    5.40, 5.51 A)
 &rst
  ixpk= 1054, nxpk= 15, iat= 408, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          27 GLU  HN          7.00    (#   1055:15  Preassigned    6.77, 6.89 A)
 &rst
  ixpk= 1055, nxpk= 15, iat= 223, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 GLU  HB2          34 MET  HN          7.00    (#   1056:15  Unique         5.47, 5.54 A)
 &rst
  ixpk= 1056, nxpk= 15, iat= 474, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 GLU  HG-          34 MET  HN          5.50    (#   1057:15  Preassigned    3.17, 3.92 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   52 LYS  QD           51 VAL  HN          5.50    (#   1058:15  Preassigned    4.11, 5.43 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 825, 826,
 &end
#
#   34 MET  QE           34 MET  HN          5.50    (#   1059:15  Preassigned    3.59, 4.54 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 507, 508, 509,
 &end
#
#   51 GLU  HG+          50 VAL  HN          4.50    (#   1060:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   36 MET  HN           34 MET  HN          5.50    (#   1062:15  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 1062, nxpk= 15, iat= 563, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HN           33 MET  HN          5.50    (#   1063:15  Preassigned    3.36, 3.41 A)
 &rst
  ixpk= 1063, nxpk= 15, iat= 485, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1064    51 VAL  HN          5.50    (#   1064:15  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265,1053,
 &end
#
#   22 ILE  HG1+         42 ALA  HN          7.00    (#   1067:15  Preassigned    6.11, 6.86 A)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 321, 322,
 &end
#
#   26 GLN  HB3          42 ALA  HN          5.50    (#   1069:15  Preassigned    3.49, 3.57 A)
 &rst
  ixpk= 1069, nxpk= 15, iat= 379, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1070    42 ALA  HN          5.50    (#   1070:15  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 378, 410,
 &end
#
#   25 GLY  HA-          42 ALA  HN          5.50    (#   1072:15  Preassigned    4.05, 4.81 A)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   73 GLN  QG           73 GLN  HN          5.50    (#   1080:15  Preassigned    2.37, 3.54 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1144,1145,
 &end
#
#   39 PRO  HD-          38 ILE  HN          5.50    (#   1081:15  Preassigned    4.25, 4.55 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   39 PRO  HD+          38 ILE  HN          5.50    (#   1082:15  Preassigned    4.25, 4.55 A)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   38 ILE  HA           38 ILE  HN          3.50    (#   1083:15  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 1083, nxpk= 15, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:1084    68 LEU  HN          5.50    (#   1084:15  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079, 752, 753, 754,
 &end
#
#    0 AMB  15-3:1085     0 AMB  15-1:1085   5.50    (#   1085:15  Double Ambig)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1081,1082,1083, 460, 461, 462, 464, 465, 466, 460,
       461, 462, 464, 465, 466, 458,
 igr2=1068, 595,
 &end
#
#   52 LYS  HG+          68 LEU  HN          7.00    (#   1086:15  Preassigned    6.57, 7.29 A)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 822, 823,
 &end
#
#   68 GLU  HG+          67 LEU  HN          5.50    (#   1087:15  Preassigned    2.48, 3.12 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#    0 AMB  15-3:1088    38 ILE  HN          5.50    (#   1088:15  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 567, 618, 619,
 &end
#
#   69 SER  QB           68 LEU  HN          7.00    (#   1089:15  Preassigned    6.42, 6.92 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   68 GLU  HN           67 LEU  HN          5.50    (#   1091:15  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1091, nxpk= 15, iat=1053,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HN          5.50    (#   1092:15  Preassigned    4.39, 4.45 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=1087,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1093     6 GLN  HN          5.50    (#   1093:15  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    6 ILE  HG1+          5 GLN  HN          5.50    (#   1094:15  Preassigned    4.31, 5.00 A)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#   18 ALA  QB           48 VAL  HN          7.00    (#   1095:15  Preassigned    6.80, 7.46 A)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  15-3:1096     6 GLN  HN          5.50    (#   1096:15  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 638, 639,  55,  56,
 &end
#
#   40 ILE  HG1-          6 GLN  HN          5.50    (#   1097:15  Preassigned    3.93, 5.85 A)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   21 GLN  QB           48 VAL  HN          7.00    (#   1098:15  Preassigned    4.83, 5.91 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 298, 299,
 &end
#
#   20 ASP  HB2          48 VAL  HN          5.50    (#   1100:15  Preassigned    5.16, 5.31 A)
 &rst
  ixpk= 1100, nxpk= 15, iat= 286, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA            6 GLN  HN          5.50    (#   1103:15  Preassigned    4.72, 4.81 A)
 &rst
  ixpk= 1103, nxpk= 15, iat=  83,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            6 GLN  HN          7.00    (#   1104:15  Preassigned    6.77, 6.86 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 100,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   60 ASN  HA            6 GLN  HN          7.00    (#   1105:15  Preassigned    6.11, 6.21 A)
 &rst
  ixpk= 1105, nxpk= 15, iat= 953,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 LEU  HA           48 VAL  HN          5.50    (#   1108:15  Preassigned    4.70, 4.80 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=1070, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  QD-          65 LEU  HN          4.50    (#   1111:15  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HB3          11 LEU  HN          7.00    (#   1112:15  Unique         5.19, 5.44 A)
 &rst
  ixpk= 1112, nxpk= 15, iat= 842, 129, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 LEU  HB+          65 LEU  HN          5.50    (#   1113:15  Unique         4.25, 4.92 A)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#   53 LYS  HG+          65 LEU  HN          5.50    (#   1114:15  Preassigned    4.86, 5.29 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#    0 AMB  15-3:1117    11 LEU  HN          5.50    (#   1117:15  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 152, 919,
 &end
#
#    0 AMB  15-3:1118    65 LEU  HN          5.50    (#   1118:15  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#   55 GLU  HA           11 LEU  HN          5.50    (#   1119:15  Preassigned    4.87, 5.46 A)
 &rst
  ixpk= 1119, nxpk= 15, iat= 883, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           65 LEU  HN          7.00    (#   1121:15  Preassigned    5.88, 6.08 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=1053,1015, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  QG2          32 GLU  HN          5.50    (#   1122:15  Unique         5.42, 5.65 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   40 ILE  HG1-         32 GLU  HN          7.00    (#   1123:15  Preassigned    6.48, 6.84 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 638, 639,
 &end
#
#   30 ILE  QG2          32 GLU  HN          5.50    (#   1124:15  Preassigned    4.22, 5.40 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   32 GLU  HG-          32 GLU  HN          5.50    (#   1125:15  Preassigned    4.41, 4.59 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:1129    32 GLU  HN          5.50    (#   1129:15  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 120, 559, 545,
 &end
#
#   12 TRP  HB3          32 GLU  HN          5.50    (#   1130:15  Preassigned    3.10, 3.26 A)
 &rst
  ixpk= 1130, nxpk= 15, iat= 153, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2          32 GLU  HN          5.50    (#   1131:15  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 1131, nxpk= 15, iat= 489, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA-          32 GLU  HN          5.50    (#   1132:15  Preassigned    4.48, 5.00 A)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA+          32 GLU  HN          5.50    (#   1133:15  Preassigned    4.48, 5.00 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   12 TRP  HA           32 GLU  HN          5.50    (#   1135:15  Preassigned    4.19, 4.37 A)
 &rst
  ixpk= 1135, nxpk= 15, iat= 150, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           32 GLU  HN          5.50    (#   1136:15  Preassigned    4.29, 4.32 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1137     4 SER  HN          7.00    (#   1137:15  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1024,1025,1026,1028,1029,1030, 634, 635, 636,
 &end
#
#   64 VAL  QG1           4 SER  HN          7.00    (#   1138:15  Preassigned    6.25, 7.42 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1005,1006,1007,
 &end
#
#   65 LEU  HB2           4 SER  HN          5.50    (#   1139:15  Preassigned    4.32, 4.90 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=1019,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  HB            3 SER  HN          5.50    (#   1140:15  Preassigned    3.55, 3.72 A)
 &rst
  ixpk= 1140, nxpk= 15, iat=  22,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA            4 SER  HN          5.50    (#   1141:15  Preassigned    5.02, 5.13 A)
 &rst
  ixpk= 1141, nxpk= 15, iat=1001,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  HA            4 SER  HN          7.00    (#   1142:15  Preassigned    6.49, 6.90 A)
 &rst
  ixpk= 1142, nxpk= 15, iat= 665,  34, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HN            4 SER  HN          7.00    (#   1144:15  Preassigned    6.63, 6.72 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  64,  34, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   48 VAL  QG1          52 LYS  HN          5.50    (#   1145:15  Preassigned    5.82, 6.45 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   64 VAL  QG2          52 LYS  HN          7.00    (#   1147:15  Preassigned    5.22, 6.07 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1009,1010,1011,
 &end
#
#   52 VAL  HB           51 LYS  HN          5.50    (#   1149:15  Preassigned    4.06, 4.18 A)
 &rst
  ixpk= 1149, nxpk= 15, iat= 803, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           52 LYS  HN          5.50    (#   1150:15  Preassigned    4.22, 4.32 A)
 &rst
  ixpk= 1150, nxpk= 15, iat=1034, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HG           40 ILE  HN          5.50    (#   1151:15  Preassigned    5.41, 5.52 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 458, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QG2          40 ILE  HN          5.50    (#   1153:15  Preassigned    5.39, 6.53 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 601, 602, 603,
 &end
#
#    0 AMB  15-3:1154    40 ILE  HN          4.50    (#   1154:15  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 426, 427, 428,
 &end
#
#   40 PRO  HD-          39 ILE  HN          5.50    (#   1155:15  Preassigned    5.58, 5.60 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#    0 AMB  15-3:1156    40 ILE  HN          5.50    (#   1156:15  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 424, 615, 616,
 &end
#
#   15 HID  HD2          40 ILE  HN          5.50    (#   1157:15  Preassigned    5.21, 5.31 A)
 &rst
  ixpk= 1157, nxpk= 15, iat= 223, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 LYS  HG+          13 VAL  HN          5.50    (#   1159:15  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   12 TRP  HB3          14 VAL  HN          7.00    (#   1161:15  Preassigned    6.66, 6.85 A)
 &rst
  ixpk= 1161, nxpk= 15, iat= 153, 194, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HA           14 VAL  HN          5.50    (#   1162:15  Preassigned    3.94, 4.10 A)
 &rst
  ixpk= 1162, nxpk= 15, iat= 883, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           14 VAL  HN          5.50    (#   1167:15  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 1167, nxpk= 15, iat= 212, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           14 VAL  HN          5.50    (#   1168:15  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 1168, nxpk= 15, iat= 227, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          14 VAL  HN          5.50    (#   1169:15  Preassigned    4.32, 4.48 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 220, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 LYS  HN           13 VAL  HN          5.50    (#   1170:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 1170, nxpk= 15, iat= 172, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           14 VAL  HN          5.50    (#   1171:15  Preassigned    4.20, 4.22 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 210, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           14 VAL  HN          5.50    (#   1172:15  Preassigned    4.39, 4.54 A)
 &rst
  ixpk= 1172, nxpk= 15, iat= 881, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          15 HID  HN          7.00    (#   1173:15  Preassigned    5.99, 6.04 A)
 &rst
  ixpk= 1173, nxpk= 15, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HN           15 HID  HN          7.00    (#   1174:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1174, nxpk= 15, iat= 881, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 LYS  HN           15 HID  HN          7.00    (#   1175:15  Unique         6.47, 6.52 A)
 &rst
  ixpk= 1175, nxpk= 15, iat= 243, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HN           15 HID  HN          5.50    (#   1176:15  Preassigned    5.50, 5.53 A)
 &rst
  ixpk= 1176, nxpk= 15, iat= 432, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3           5 ILE  HN          5.50    (#   1178:15  Preassigned    4.04, 4.26 A)
 &rst
  ixpk= 1178, nxpk= 15, iat=1020,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB2           5 ILE  HN          7.00    (#   1179:15  Preassigned    6.96, 7.03 A)
 &rst
  ixpk= 1179, nxpk= 15, iat= 819,  45, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   63 ASP  HB3           5 ILE  HN          5.50    (#   1180:15  Preassigned    3.85, 3.92 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 992,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HA            5 ILE  HN          7.00    (#   1181:15  Preassigned    5.39, 5.50 A)
 &rst
  ixpk= 1181, nxpk= 15, iat= 967,  45, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HA            5 ILE  HN          5.50    (#   1182:15  Preassigned    5.40, 5.45 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=  66,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1183     5 ILE  HN          7.00    (#   1183:15  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 989,  20,
 &end
#
#    6 GLN  HN            5 ILE  HN          5.50    (#   1184:15  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  64,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HG-          43 ASP  HN          5.50    (#   1187:15  Preassigned    3.95, 5.32 A)
 &rst
  ixpk= 1187, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
#   66 LEU  HB+          43 ASP  HN          7.00    (#   1188:15  Preassigned    5.86, 6.51 A)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1038,1039,
 &end
#
#   24 LYS  HA           43 ASP  HN          5.50    (#   1189:15  Preassigned    4.91, 5.10 A)
 &rst
  ixpk= 1189, nxpk= 15, iat= 347, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           43 ASP  HN          7.00    (#   1192:15  Preassigned    7.04, 7.06 A)
 &rst
  ixpk= 1192, nxpk= 15, iat= 406, 673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 PHE  HE           58 VAL  HN          5.50    (#   1194:15  Preassigned    4.30, 4.69 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   41 VAL  HB           23 GLU  HN          7.00    (#   1195:15  Preassigned    6.67, 6.99 A)
 &rst
  ixpk= 1195, nxpk= 15, iat= 651, 330, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1196     0 AMB  15-1:1196   4.50    (#   1196:15  Double Ambig)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 133, 866, 867, 844, 845, 844, 845,
 igr2= 935, 915,
 &end
#
#   53 LYS  HB3           0 AMB  15-1:1197   5.50    (#   1197:15  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 15, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 915, 935,
 &end
#
#   60 ASN  HB+          63 ASP  HN          5.50    (#   1198:15  Preassigned    4.05, 4.55 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   54 LYS  QE           57 ASP  HN          5.50    (#   1199:15  Preassigned    4.59, 5.65 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 873,
 &end
#
#   58 PHE  HB2          57 ASP  HN          7.00    (#   1200:15  Unique         6.63, 6.76 A)
 &rst
  ixpk= 1200, nxpk= 15, iat= 919, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    9 GLY  HA-          59 VAL  HN          5.50    (#   1201:15  Preassigned    4.79, 4.87 A)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   54 LYS  HN           57 ASP  HN          4.50    (#   1202:15  Preassigned    3.47, 3.56 A)
 &rst
  ixpk= 1202, nxpk= 15, iat= 859, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           57 ASP  HN          4.50    (#   1203:15  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 1203, nxpk= 15, iat= 129, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HB2          63 ASP  HN          7.00    (#   1205:15  Preassigned    5.66, 5.68 A)
 &rst
  ixpk= 1205, nxpk= 15, iat= 969, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 ILE  HG1+         63 ASP  HN          5.50    (#   1206:15  Preassigned    4.32, 5.03 A)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1-         63 ASP  HN          5.50    (#   1208:15  Preassigned    4.32, 5.03 A)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    6 GLN  HB3          63 ASP  HN          7.00    (#   1210:15  Preassigned    6.95, 7.01 A)
 &rst
  ixpk= 1210, nxpk= 15, iat=  69, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   61 GLU  HG+          63 ASP  HN          5.50    (#   1211:15  Preassigned    5.22, 5.55 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#   40 ILE  HG1-         29 ALA  HN          5.50    (#   1214:15  Preassigned    4.50, 4.90 A)
 &rst
  ixpk= 1214, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   14 VAL  QG1          29 ALA  HN          5.50    (#   1215:15  Preassigned    5.68, 6.82 A)
 &rst
  ixpk= 1215, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#    0 AMB  15-3:1217    29 ALA  HN          7.00    (#   1217:15  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 621, 622, 651,
 &end
#
#   24 GLU  HB2          23 LYS  HN          4.50    (#   1218:15  Preassigned    4.18, 4.28 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HG+          23 LYS  HN          5.50    (#   1220:15  Preassigned    2.63, 3.03 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 337, 338,
 &end
#
#   39 PRO  HB+          29 ALA  HN          7.00    (#   1221:15  Preassigned    5.39, 5.97 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#   29 VAL  HB           28 ALA  HN          4.50    (#   1222:15  Preassigned    4.05, 4.08 A)
 &rst
  ixpk= 1222, nxpk= 15, iat= 410, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          29 ALA  HN          5.50    (#   1223:15  Preassigned    4.37, 4.48 A)
 &rst
  ixpk= 1223, nxpk= 15, iat= 214, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           29 ALA  HN          5.50    (#   1227:15  Preassigned    4.76, 4.80 A)
 &rst
  ixpk= 1227, nxpk= 15, iat= 630, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           29 ALA  HN          5.50    (#   1228:15  Preassigned    4.63, 4.65 A)
 &rst
  ixpk= 1228, nxpk= 15, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           29 ALA  HN          7.00    (#   1230:15  Unique         6.62, 6.65 A)
 &rst
  ixpk= 1230, nxpk= 15, iat= 227, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HN           29 ALA  HN          7.00    (#   1236:15  Preassigned    6.91, 6.93 A)
 &rst
  ixpk= 1236, nxpk= 15, iat= 172, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 VAL  HN           28 ALA  HN          2.80    (#   1238:15  Preassigned    1.89, 1.95 A)
 &rst
  ixpk= 1238, nxpk= 15, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 LEU  QD2          22 ILE  HN          5.50    (#   1239:15  Preassigned    4.99, 6.15 A)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:1240    22 ILE  HN          4.50    (#   1240:15  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 324, 325, 326,1077,1078,1079,
 &end
#
#    0 AMB  15-3:1241    22 ILE  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 722, 723, 714,
 &end
#
#   47 ILE  HG1+         20 ASP  HN          7.00    (#   1245:15  Unique         5.37, 7.36 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 737, 738,
 &end
#
#    5 ILE  HG1-         64 VAL  HN          7.00    (#   1247:15  Preassigned    4.73, 5.59 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  55,  56,
 &end
#
#   52 LYS  HB2          64 VAL  HN          5.50    (#   1248:15  Preassigned    5.13, 5.25 A)
 &rst
  ixpk= 1248, nxpk= 15, iat= 819, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HG+          20 ASP  HN          5.50    (#   1249:15  Preassigned    3.27, 5.41 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#    0 AMB  15-3:1250    20 ASP  HN          7.00    (#   1250:15  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 253, 254, 731,
 &end
#
#   17 LYS  QB           20 ASP  HN          5.50    (#   1251:15  Preassigned    3.72, 4.78 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
#   21 GLN  QB           20 ASP  HN          7.00    (#   1252:15  Preassigned    6.11, 6.71 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 298, 299,
 &end
#
#   51 VAL  HB           18 ALA  HN          5.50    (#   1253:15  Preassigned    4.58, 4.85 A)
 &rst
  ixpk= 1253, nxpk= 15, iat= 803, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1254    18 ALA  HN          5.50    (#   1254:15  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 750, 231,
 &end
#
#   18 LYS  QE           17 ALA  HN          5.50    (#   1255:15  Preassigned    4.15, 5.49 A)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 257,
 &end
#
#   17 LYS  QE           20 ASP  HN          5.50    (#   1256:15  Preassigned    4.60, 5.84 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 257,
 &end
#
#   51 VAL  HN           18 ALA  HN          5.50    (#   1263:15  Preassigned    4.28, 4.65 A)
 &rst
  ixpk= 1263, nxpk= 15, iat= 799, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1265    33 SER  HN          5.50    (#   1265:15  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#   30 ILE  QG2          33 SER  HN          7.00    (#   1266:15  Preassigned    6.39, 7.32 A)
 &rst
  ixpk= 1266, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 438, 439, 440,
 &end
#
#   31 LEU  HB3          33 SER  HN          5.50    (#   1267:15  Preassigned    4.08, 4.23 A)
 &rst
  ixpk= 1267, nxpk= 15, iat= 456, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1268    33 SER  HN          7.00    (#   1268:15  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 584, 585, 599,
 &end
#
#    0 AMB  15-3:1269    33 SER  HN          5.50    (#   1269:15  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 545, 570, 571, 559, 503, 504,
 &end
#
#    0 AMB  15-3:1270    33 SER  HN          5.50    (#   1270:15  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 498,
 &end
#
#   38 ILE  HN           33 SER  HN          5.50    (#   1271:15  Preassigned    4.70, 4.97 A)
 &rst
  ixpk= 1271, nxpk= 15, iat= 595, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HN          5.50    (#   1272:15  Preassigned    3.36, 3.41 A)
 &rst
  ixpk= 1272, nxpk= 15, iat= 496, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H63          37 GLU  HN          5.50    (#   1273:15  Preassigned    4.14, 5.11 A)
 &rst
  ixpk= 1273, nxpk= 15, iat= 549, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1274    37 GLU  HN          7.00    (#   1274:15  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 559, 545,
 &end
#
#   39 PRO  HD+          37 GLU  HN          7.00    (#   1276:15  Preassigned    6.38, 6.79 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 615, 616,
 &end
#
#   37 MET  HN           36 GLU  HN          5.50    (#   1277:15  Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 1277, nxpk= 15, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           37 GLU  HN          5.50    (#   1279:15  Preassigned    4.29, 4.41 A)
 &rst
  ixpk= 1279, nxpk= 15, iat= 595, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG+          67 GLU  HN          5.50    (#   1280:15  Preassigned    2.86, 4.20 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#    0 AMB  15-3:1282     0 AMB  15-1:1282   5.50    (#   1282:15  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1075,1022,
 igr2=1053, 727,
 &end
#
#    0 AMB  15-3:1283    67 GLU  HN          5.50    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 788, 791, 792,
 &end
#
#    0 AMB  15-3:1284     0 AMB  15-1:1284   5.50    (#   1284:15  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1060,1061, 301, 302,
 igr2=1053, 727,
 &end
#
#   48 VAL  HA            0 AMB  15-1:1286   5.50    (#   1286:15  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 15, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053, 727,
 &end
#
#   49 LYS  HN           67 GLU  HN          5.50    (#   1289:15  Preassigned    3.76, 4.02 A)
 &rst
  ixpk= 1289, nxpk= 15, iat= 762,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1290     0 AMB  15-1:1290   5.50    (#   1290:15  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 756, 757, 758,  28,  29,  30,
 igr2=1053, 727,
 &end
#
#   67 LEU  HN           66 GLU  HN          5.50    (#   1291:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 1291, nxpk= 15, iat=1034,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           67 GLU  HN          5.50    (#   1293:15  Unique         4.78, 4.90 A)
 &rst
  ixpk= 1293, nxpk= 15, iat= 786,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1294     8 ALA  HN          5.50    (#   1294:15  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    5 ILE  QG2           8 ALA  HN          5.50    (#   1295:15  Preassigned    5.36, 5.98 A)
 &rst
  ixpk= 1295, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   31 LEU  HB3           8 ALA  HN          7.00    (#   1297:15  Preassigned    6.81, 6.98 A)
 &rst
  ixpk= 1297, nxpk= 15, iat= 456,  98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8 MET  QE            7 ALA  HN          5.50    (#   1298:15  Preassigned    2.84, 3.79 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   61 GLU  HG+           8 ALA  HN          5.50    (#   1299:15  Preassigned    5.70, 6.32 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#   61 GLU  HA            8 ALA  HN          5.50    (#   1300:15  Preassigned    5.05, 5.17 A)
 &rst
  ixpk= 1300, nxpk= 15, iat= 967,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA            8 ALA  HN          7.00    (#   1302:15  Preassigned    6.60, 6.65 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=  66,  98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1303     8 ALA  HN          5.50    (#   1303:15  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 487,
 &end
#
#   11 LEU  QD-          55 GLU  HN          5.50    (#   1305:15  Preassigned    4.46, 6.87 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   13 LYS  HG-          55 GLU  HN          7.00    (#   1306:15  Unique         6.57, 7.25 A)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 179, 180,
 &end
#
#   14 VAL  QG1          55 GLU  HN          5.50    (#   1307:15  Preassigned    4.31, 5.11 A)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  HB           55 GLU  HN          5.50    (#   1309:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 1309, nxpk= 15, iat= 198, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           55 GLU  HN          5.50    (#   1314:15  Preassigned    4.39, 4.54 A)
 &rst
  ixpk= 1314, nxpk= 15, iat= 194, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HG1-         28 VAL  HN          5.50    (#   1315:15  Unique         5.67, 5.93 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   40 ILE  HB           28 VAL  HN          5.50    (#   1316:15  Preassigned    3.96, 4.05 A)
 &rst
  ixpk= 1316, nxpk= 15, iat= 632, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1317    28 VAL  HN          5.50    (#   1317:15  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#    0 AMB  15-3:1318    28 VAL  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 395, 381, 382,
 &end
#
#   28 VAL  HB           28 VAL  HN          5.50    (#   1319:15  Preassigned    3.68, 3.75 A)
 &rst
  ixpk= 1319, nxpk= 15, iat= 410, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 GLU  HG+          27 VAL  HN          5.50    (#   1320:15  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1320, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   30 ILE  HA           28 VAL  HN          7.00    (#   1321:15  Preassigned    6.13, 6.20 A)
 &rst
  ixpk= 1321, nxpk= 15, iat= 434, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 HID  HD2          28 VAL  HN          7.00    (#   1322:15  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1322, nxpk= 15, iat= 223, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 ASP  HN           28 VAL  HN          7.00    (#   1324:15  Preassigned    7.04, 7.06 A)
 &rst
  ixpk= 1324, nxpk= 15, iat= 673, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 ILE  QG2          61 GLU  HN          5.50    (#   1326:15  Preassigned    4.25, 5.28 A)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:1327    55 GLU  HN          5.50    (#   1327:15  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 869, 870, 134,
 &end
#
#   61 GLU  HB2          61 GLU  HN          2.80    (#   1328:15  Preassigned    2.35, 2.43 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 969, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HG+          61 GLU  HN          4.50    (#   1330:15  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 972, 973,
 &end
#
#    8 ALA  HA           60 ASN  HN          5.50    (#   1334:15  Preassigned    4.68, 4.71 A)
 &rst
  ixpk= 1334, nxpk= 15, iat= 100, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HD22          0 AMB  15-1:1337   5.50    (#   1337:15  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 15, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 965,
 &end
#
#    9 GLY  HN           61 GLU  HN          5.50    (#   1338:15  Preassigned    5.18, 5.26 A)
 &rst
  ixpk= 1338, nxpk= 15, iat= 108, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           55 GLU  HN          7.00    (#   1339:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1339, nxpk= 15, iat= 210, 881, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1340    61 GLU  HN          5.50    (#   1340:15  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 960, 987,
 &end
#
#    5 ILE  QG2          60 ASN  HN          5.50    (#   1341:15  Preassigned    2.85, 4.09 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:1342    60 ASN  HN          7.00    (#   1342:15  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 844, 845, 133,
 &end
#
#   63 ASP  HB2          60 ASN  HN          5.50    (#   1343:15  Preassigned    2.19, 2.34 A)
 &rst
  ixpk= 1343, nxpk= 15, iat= 991, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           60 ASN  HN          5.50    (#   1346:15  Preassigned    4.39, 5.28 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   11 LEU  QD+          54 LYS  HN          5.50    (#   1347:15  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   14 VAL  QG2          54 LYS  HN          5.50    (#   1348:15  Preassigned    3.70, 4.67 A)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:1350    54 LYS  HN          5.50    (#   1350:15  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 844, 845, 200, 201, 202, 805, 806, 807,
 &end
#
#    0 AMB  15-3:1351    17 LYS  HN          5.50    (#   1351:15  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807, 200, 201, 202,
 &end
#
#   55 GLU  HG-          54 LYS  HN          7.00    (#   1352:15  Preassigned    6.30, 7.21 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#   17 VAL  HN           16 LYS  HN          5.50    (#   1359:15  Preassigned    4.39, 4.43 A)
 &rst
  ixpk= 1359, nxpk= 15, iat= 227, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           17 LYS  HN          7.00    (#   1360:15  Preassigned    6.47, 6.52 A)
 &rst
  ixpk= 1360, nxpk= 15, iat= 210, 243, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 ASP  HN           54 LYS  HN          5.50    (#   1363:15  Preassigned    3.47, 3.56 A)
 &rst
  ixpk= 1363, nxpk= 15, iat= 903, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          36 MET  HN          5.50    (#   1364:15  Preassigned    4.91, 6.69 A)
 &rst
  ixpk= 1364, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  15-3:1365    36 MET  HN          5.50    (#   1365:15  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 520, 521, 605, 606, 540,
 &end
#
#    0 AMB  15-3:1366    36 MET  HN          7.00    (#   1366:15  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 523, 524, 605, 606, 474,
 &end
#
#    0 AMB  15-3:1367     7 MET  HN          5.50    (#   1367:15  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56, 638, 639,
 &end
#
#   38 ILE  QD1           7 MET  HN          7.00    (#   1370:15  Unique         5.24, 6.34 A)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  15-3:1371    36 MET  HN          7.00    (#   1371:15  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 549, 475,
 &end
#
#   61 GLU  HG+           7 MET  HN          5.50    (#   1372:15  Preassigned    4.26, 5.08 A)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    7 GLN  HG+           6 MET  HN          5.50    (#   1373:15  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    7 GLN  HG-           6 MET  HN          5.50    (#   1374:15  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   36 MET  HG-          36 MET  HN          5.50    (#   1375:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:1376    36 MET  HN          5.50    (#   1376:15  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 498, 110, 111,
 &end
#
#   33 SER  HB2          36 MET  HN          5.50    (#   1377:15  Preassigned    3.52, 3.61 A)
 &rst
  ixpk= 1377, nxpk= 15, iat= 489, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            7 MET  HN          5.50    (#   1379:15  Preassigned    4.79, 4.88 A)
 &rst
  ixpk= 1379, nxpk= 15, iat= 100,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA           36 MET  HN          5.50    (#   1380:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 1380, nxpk= 15, iat= 487, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           36 MET  HN          5.50    (#   1381:15  Preassigned    4.14, 4.31 A)
 &rst
  ixpk= 1381, nxpk= 15, iat= 472, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 GLN  HE22          6 MET  HN          5.50    (#   1383:15  Preassigned    5.52, 5.56 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  77,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE3          36 MET  HN          7.00    (#   1385:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1385, nxpk= 15, iat= 167, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 VAL  QG2          30 ILE  HN          4.50    (#   1386:15  Preassigned    4.06, 4.88 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:1387    30 ILE  HN          5.50    (#   1387:15  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  15-3:1388    30 ILE  HN          7.00    (#   1388:15  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 167,
 &end
#
#   15 HID  HN           30 ILE  HN          5.50    (#   1389:15  Preassigned    5.50, 5.53 A)
 &rst
  ixpk= 1389, nxpk= 15, iat= 210, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           14 VAL  HN          5.50    (#   1392:15  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 1392, nxpk= 15, iat= 227, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1393    12 TRP  HN          5.50    (#   1393:15  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 472,
 &end
#
#   68 GLU  HB3          67 LEU  HN          5.50    (#   1394:15  Preassigned    3.87, 4.02 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1058,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          26 GLN  HN          5.50    (#   1395:15  Preassigned    5.99, 6.88 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#    3 VAL  QG2          66 LEU  HN          4.50    (#   1396:15  Preassigned    4.29, 5.16 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#   62 GLU  HB2          61 GLY  HN          5.50    (#   1397:15  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 1397, nxpk= 15, iat= 969, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          62 GLY  HN          5.50    (#   1398:15  Preassigned    4.85, 4.95 A)
 &rst
  ixpk= 1398, nxpk= 15, iat= 992, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LYS  HB2          24 GLY  HN          5.50    (#   1399:15  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1399, nxpk= 15, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           62 GLY  HN          4.50    (#   1400:15  Preassigned    2.82, 2.91 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=  66, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN           62 GLY  HN          5.50    (#   1401:15  Preassigned    4.38, 4.47 A)
 &rst
  ixpk= 1401, nxpk= 15, iat=  81, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           25 GLY  HN          5.50    (#   1402:15  Preassigned    4.27, 4.68 A)
 &rst
  ixpk= 1402, nxpk= 15, iat= 685, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           66 LEU  HN          5.50    (#   1403:15  Preassigned    4.71, 4.85 A)
 &rst
  ixpk= 1403, nxpk= 15, iat=1055,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1404    12 TRP  HN          5.50    (#   1404:15  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 941, 942, 943,
 &end
#
#   24 LYS  HA           42 ALA  HN          5.50    (#   1408:15  Preassigned    4.58, 4.72 A)
 &rst
  ixpk= 1408, nxpk= 15, iat= 347, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           26 GLN  HN          5.50    (#   1419:15  Preassigned    3.51, 3.60 A)
 &rst
  ixpk= 1419, nxpk= 15, iat= 651, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HB3          26 GLN  HN          4.50    (#   1420:15  Preassigned    3.99, 4.21 A)
 &rst
  ixpk= 1420, nxpk= 15, iat= 335, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           26 GLN  HN          5.50    (#   1421:15  Preassigned    4.75, 4.88 A)
 &rst
  ixpk= 1421, nxpk= 15, iat= 649, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           26 GLN  HN          7.00    (#   1424:15  Preassigned    6.12, 6.37 A)
 &rst
  ixpk= 1424, nxpk= 15, iat= 406, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 LYS  QG           43 ASP  HN          7.00    (#   1426:15  Preassigned    4.74, 6.01 A)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 352, 353,
 &end
#
#    0 AMB  15-3:1428    43 ASP  HN          5.50    (#   1428:15  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 324, 325, 326, 412, 413, 414, 634, 635, 636,
 &end
#
#   55 GLU  HG-          57 ASP  HN          7.00    (#   1430:15  Preassigned    5.56, 6.50 A)
 &rst
  ixpk= 1430, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#   14 VAL  HB           57 ASP  HN          7.00    (#   1431:15  Preassigned    6.80, 6.93 A)
 &rst
  ixpk= 1431, nxpk= 15, iat= 198, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HD+          57 ASP  HN          5.50    (#   1433:15  Preassigned    5.18, 5.90 A)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    10 ASN  HA           57 ASP  HN          5.50    (#   1434:15  Preassigned    5.26, 5.34 A)
 &rst
  ixpk= 1434, nxpk= 15, iat= 117, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 PHE  HD           58 VAL  HN          5.50    (#   1435:15  Preassigned    3.23, 3.75 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   58 PHE  HB2          58 PHE  HN          4.50    (#   1438:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 1438, nxpk= 15, iat= 919, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           64 VAL  HN          5.50    (#   1440:15  Preassigned    3.76, 4.00 A)
 &rst
  ixpk= 1440, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    4 SER  HA           64 VAL  HN          5.50    (#   1441:15  Preassigned    4.90, 4.94 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=  36, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLY  HN           46 ILE  HN          5.50    (#   1444:15  Preassigned    4.37, 4.39 A)
 &rst
  ixpk= 1444, nxpk= 15, iat= 720, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HG+          54 GLU  HN          5.50    (#   1448:15  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#   29 ALA  QB           28 VAL  HN          5.50    (#   1449:15  Preassigned    4.61, 5.23 A)
 &rst
  ixpk= 1449, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   33 SER  HB3          36 MET  HN          5.50    (#   1452:15  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 1452, nxpk= 15, iat= 490, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HZ3          36 MET  HN          7.00    (#   1454:15  Preassigned    7.13, 7.36 A)
 &rst
  ixpk= 1454, nxpk= 15, iat= 165, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  QG2           10 ASN  HN          5.50    (#   1456:15  Preassigned    3.63, 4.10 A)
 &rst
  ixpk= 1456, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   31 LEU  HB3           10 ASN  HN          5.50    (#   1458:15  Preassigned    3.64, 3.81 A)
 &rst
  ixpk= 1458, nxpk= 15, iat= 456, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2           10 ASN  HN          5.50    (#   1459:15  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 1459, nxpk= 15, iat= 489, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA            10 ASN  HN          5.50    (#   1460:15  Preassigned    3.33, 3.37 A)
 &rst
  ixpk= 1460, nxpk= 15, iat= 487, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22          10 ASN  HN          5.50    (#   1462:15  Preassigned    4.36, 4.43 A)
 &rst
  ixpk= 1462, nxpk= 15, iat= 125, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HN          5.50    (#   1463:15  Preassigned    4.21, 4.23 A)
 &rst
  ixpk= 1463, nxpk= 15, iat= 129, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QD1          69 SER  HN          7.00    (#   1464:15  Preassigned    6.00, 7.04 A)
 &rst
  ixpk= 1464, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          69 SER  HN          5.50    (#   1465:15  Preassigned    6.05, 6.63 A)
 &rst
  ixpk= 1465, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:1466    69 SER  HN          5.50    (#   1466:15  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738, 321, 322,
 &end
#
#   49 LYS  HG-          69 SER  HN          5.50    (#   1468:15  Preassigned    4.37, 5.51 A)
 &rst
  ixpk= 1468, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   67 GLU  HG-          69 SER  HN          5.50    (#   1469:15  Preassigned    5.12, 6.22 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#   46 GLY  HA+          69 SER  HN          5.50    (#   1470:15  Preassigned    4.05, 5.30 A)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   49 LYS  HA           69 SER  HN          5.50    (#   1471:15  Preassigned    3.84, 4.28 A)
 &rst
  ixpk= 1471, nxpk= 15, iat= 764,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           69 SER  HN          7.00    (#   1472:15  Preassigned    6.25, 6.35 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=1055,1087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   50 GLU  HN           69 SER  HN          7.00    (#   1476:15  Preassigned    5.16, 5.45 A)
 &rst
  ixpk= 1476, nxpk= 15, iat= 784,1087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   71 SER  HN           69 SER  HN          5.50    (#   1477:15  Preassigned    4.00, 5.66 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=1112,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2          44 ARG  HN          5.50    (#   1479:15  Preassigned    3.45, 4.20 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   25 GLY  HA-          44 ARG  HN          7.00    (#   1480:15  Preassigned    6.45, 7.19 A)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA+          44 ARG  HN          7.00    (#   1481:15  Preassigned    6.45, 7.19 A)
 &rst
  ixpk= 1481, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 369, 370,
 &end
#
#   66 LEU  HA           53 LYS  HN          5.50    (#   1486:15  Preassigned    4.67, 5.09 A)
 &rst
  ixpk= 1486, nxpk= 15, iat=1036, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1490    53 LYS  HN          5.50    (#   1490:15  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791, 792,1003,
 &end
#
#   51 VAL  HB           53 LYS  HN          5.50    (#   1491:15  Preassigned    3.57, 3.80 A)
 &rst
  ixpk= 1491, nxpk= 15, iat= 803, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1493    53 LYS  HN          4.50    (#   1493:15  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 822, 823,1019,
 &end
#
#   11 LEU  QD-          53 LYS  HN          5.50    (#   1495:15  Preassigned    4.76, 6.50 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HN           53 LYS  HN          7.00    (#   1496:15  Preassigned    6.93, 7.09 A)
 &rst
  ixpk= 1496, nxpk= 15, iat= 881, 837, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HN           62 GLY  HN          5.50    (#   1497:15  Preassigned    4.35, 4.45 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=  64, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1501    25 GLY  HN          5.50    (#   1501:15  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 665, 376,
 &end
#
#    0 AMB  15-3:1503    62 GLY  HN          5.50    (#   1503:15  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 991,  68,  71,  72,
 &end
#
#    6 GLN  HB3          62 GLY  HN          5.50    (#   1504:15  Preassigned    4.80, 4.91 A)
 &rst
  ixpk= 1504, nxpk= 15, iat=  69, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           25 GLY  HN          5.50    (#   1505:15  Preassigned    3.25, 3.39 A)
 &rst
  ixpk= 1505, nxpk= 15, iat= 651, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB+          60 ASN  HD21        5.50    (#   1509:15  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#    8 ALA  QB           60 ASN  HD21        5.50    (#   1510:15  Preassigned    2.34, 3.09 A)
 &rst
  ixpk= 1510, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 102, 103, 104,
 &end
#
#   60 ASN  HA           60 ASN  HD21        5.50    (#   1511:15  Preassigned    3.41, 3.44 A)
 &rst
  ixpk= 1511, nxpk= 15, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1514    50 GLU  HN          5.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 750, 231,
 &end
#
#    8 ALA  QB           60 ASN  HD22        5.50    (#   1515:15  Preassigned    3.44, 4.16 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  HA           59 ASN  HD22        5.50    (#   1516:15  Preassigned    4.40, 4.53 A)
 &rst
  ixpk= 1516, nxpk= 15, iat= 937, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA           60 ASN  HD22        5.50    (#   1517:15  Preassigned    2.66, 2.71 A)
 &rst
  ixpk= 1517, nxpk= 15, iat= 100, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           60 ASN  HD22        5.50    (#   1518:15  Preassigned    2.49, 2.55 A)
 &rst
  ixpk= 1518, nxpk= 15, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22         60 ASN  HD22        7.00    (#   1519:15  Preassigned    6.97, 7.03 A)
 &rst
  ixpk= 1519, nxpk= 15, iat= 125, 961, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   19 GLY  HN           50 GLU  HN          5.50    (#   1520:15  Preassigned    5.18, 5.33 A)
 &rst
  ixpk= 1520, nxpk= 15, iat= 275, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           50 GLU  HN          7.00    (#   1521:15  Unique         5.91, 6.11 A)
 &rst
  ixpk= 1521, nxpk= 15, iat= 815, 784, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 GLU  HA           50 GLU  HN          5.50    (#   1523:15  Preassigned    4.59, 4.72 A)
 &rst
  ixpk= 1523, nxpk= 15, iat=1055, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1524    50 GLU  HN          7.00    (#   1524:15  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 801, 817,
 &end
#
#   52 LYS  HG-          50 GLU  HN          5.50    (#   1526:15  Preassigned    5.10, 6.27 A)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   50 LYS  HG+          49 GLU  HN          4.50    (#   1527:15  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 1527, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   48 VAL  QG2          50 GLU  HN          5.50    (#   1529:15  Preassigned    5.20, 5.89 A)
 &rst
  ixpk= 1529, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   68 LEU  QD2          50 GLU  HN          5.50    (#   1530:15  Preassigned    4.09, 5.19 A)
 &rst
  ixpk= 1530, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   32 GLU  HB2           10 ASN  HD21        5.50    (#   1531:15  Preassigned    5.28, 5.31 A)
 &rst
  ixpk= 1531, nxpk= 15, iat= 474, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HD21        5.50    (#   1533:15  Preassigned    3.84, 3.85 A)
 &rst
  ixpk= 1533, nxpk= 15, iat= 475, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HD21        5.50    (#   1534:15  Preassigned    4.08, 4.11 A)
 &rst
  ixpk= 1534, nxpk= 15, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN            10 ASN  HD21        5.50    (#   1536:15  Preassigned    4.68, 4.97 A)
 &rst
  ixpk= 1536, nxpk= 15, iat= 513, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HD22        5.50    (#   1539:15  Preassigned    5.52, 5.54 A)
 &rst
  ixpk= 1539, nxpk= 15, iat= 475, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD-          56 GLY  HN          5.50    (#   1540:15  Preassigned    4.59, 5.92 A)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:1541    56 GLY  HN          5.50    (#   1541:15  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 138, 139, 140, 142, 143, 144, 179, 180,
 &end
#
#   11 LEU  HG           56 GLY  HN          5.50    (#   1542:15  Preassigned    4.04, 4.26 A)
 &rst
  ixpk= 1542, nxpk= 15, iat= 136, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLU  HG+          55 GLY  HN          5.50    (#   1543:15  Unique         4.02, 4.84 A)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#    10 ASN  HB3          56 GLY  HN          5.50    (#   1544:15  Preassigned    4.69, 4.94 A)
 &rst
  ixpk= 1544, nxpk= 15, iat= 120, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB3          56 GLY  HN          5.50    (#   1545:15  Preassigned    4.98, 5.09 A)
 &rst
  ixpk= 1545, nxpk= 15, iat= 908, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           56 GLY  HN          5.50    (#   1549:15  Preassigned    3.84, 4.11 A)
 &rst
  ixpk= 1549, nxpk= 15, iat= 148, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           13 LYS  HN          7.00    (#   1553:15  Preassigned    6.58, 6.67 A)
 &rst
  ixpk= 1553, nxpk= 15, iat= 881, 172, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 TRP  HD1          12 LYS  HN          5.50    (#   1555:15  Preassigned    4.20, 4.25 A)
 &rst
  ixpk= 1555, nxpk= 15, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          13 LYS  HN          7.00    (#   1556:15  Preassigned    5.57, 5.58 A)
 &rst
  ixpk= 1556, nxpk= 15, iat= 223, 172, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 ALA  HA           13 LYS  HN          5.50    (#   1557:15  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 1557, nxpk= 15, iat= 424, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1558    13 LYS  HN          5.50    (#   1558:15  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 888, 889, 185, 186, 475,
 &end
#
#   55 GLU  HG-          13 LYS  HN          5.50    (#   1559:15  Preassigned    4.72, 5.26 A)
 &rst
  ixpk= 1559, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           13 LYS  HN          5.50    (#   1560:15  Preassigned    3.89, 5.99 A)
 &rst
  ixpk= 1560, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 886,
 &end
#
#   13 LYS  HD-          13 LYS  HN          5.50    (#   1561:15  Preassigned    4.14, 5.75 A)
 &rst
  ixpk= 1561, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   30 ILE  QG2          13 LYS  HN          5.50    (#   1562:15  Preassigned    3.89, 4.88 A)
 &rst
  ixpk= 1562, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   70 ASN  HB+          70 ASN  HD22        5.50    (#   1566:15  Preassigned    2.23, 2.86 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   70 ASN  HB-          70 ASN  HD22        5.50    (#   1567:15  Preassigned    2.23, 2.86 A)
 &rst
  ixpk= 1567, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   73 THR  HA           72 GLN  HE22        7.00    (#   1576:15  Preassigned    4.14, 6.03 A)
 &rst
  ixpk= 1576, nxpk= 15, iat=1125,1150, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 LYS  QG           45 SER  HN          5.50    (#   1584:15  Preassigned    4.30, 5.22 A)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#   45 ARG  QD           44 SER  HN          5.50    (#   1586:15  Preassigned    3.91, 5.69 A)
 &rst
  ixpk= 1586, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   24 LYS  HA           45 SER  HN          5.50    (#   1587:15  Preassigned    3.81, 4.14 A)
 &rst
  ixpk= 1587, nxpk= 15, iat= 347, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          19 GLY  HN          5.50    (#   1590:15  Preassigned    4.89, 5.01 A)
 &rst
  ixpk= 1590, nxpk= 15, iat= 287, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB2          19 GLY  HN          5.50    (#   1591:15  Preassigned    5.15, 5.27 A)
 &rst
  ixpk= 1591, nxpk= 15, iat= 286, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          19 GLY  HN          5.50    (#   1594:15  Preassigned    5.94, 6.22 A)
 &rst
  ixpk= 1594, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#    0 AMB  15-3:1595    19 GLY  HN          7.00    (#   1595:15  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 250, 251, 767, 737, 738,
 &end
#
#   17 LYS  QB           19 GLY  HN          5.50    (#   1596:15  Unique         5.78, 6.14 A)
 &rst
  ixpk= 1596, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
#   68 LEU  QD2          19 GLY  HN          7.00    (#   1597:15  Preassigned    6.70, 7.29 A)
 &rst
  ixpk= 1597, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1081,1082,1083,
 &end
#
#   68 LEU  QD2          66 LEU  HN          5.50    (#   1598:15  Preassigned    5.87, 6.75 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:1599    66 LEU  HN          5.50    (#   1599:15  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 805, 806, 807, 844, 845,
 &end
#
#    3 VAL  HA           66 LEU  HN          5.50    (#   1602:15  Preassigned    4.60, 4.72 A)
 &rst
  ixpk= 1602, nxpk= 15, iat=  20,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           66 LEU  HN          7.00    (#   1603:15  Preassigned    7.14, 7.28 A)
 &rst
  ixpk= 1603, nxpk= 15, iat= 784,1034, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 GLU  HN           66 LEU  HN          5.50    (#   1604:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 1604, nxpk= 15, iat=1053,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA            6 GLN  HE21        5.50    (#   1605:15  Preassigned    2.59, 3.60 A)
 &rst
  ixpk= 1605, nxpk= 15, iat= 630,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1606    21 GLN  HE21        5.50    (#   1606:15  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 722, 723, 714,
 &end
#
#    6 GLN  HB3           6 GLN  HE21        5.50    (#   1608:15  Unique         3.10, 3.90 A)
 &rst
  ixpk= 1608, nxpk= 15, iat=  69,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HB-           6 GLN  HE21        7.00    (#   1609:15  Preassigned    5.27, 6.30 A)
 &rst
  ixpk= 1609, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  85,  86,
 &end
#
#   47 ILE  QD1          21 GLN  HE21        5.50    (#   1610:15  Preassigned    3.25, 5.55 A)
 &rst
  ixpk= 1610, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 740, 741, 742,
 &end
#
#    3 VAL  QG1           6 GLN  HE22        5.50    (#   1611:15  Preassigned    5.60, 6.54 A)
 &rst
  ixpk= 1611, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   43 ASP  HB2           6 GLN  HE22        7.00    (#   1612:15  Preassigned    5.76, 6.42 A)
 &rst
  ixpk= 1612, nxpk= 15, iat= 677,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H82          35 BTL  HN          5.50    (#   1613:15  Preassigned    3.47, 4.13 A)
 &rst
  ixpk= 1613, nxpk= 15, iat= 539, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HD-          35 BTL  HN          5.50    (#   1614:15  Preassigned    2.70, 5.39 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523, 524,
 &end
#
#   32 GLU  HB3          35 BTL  HN          5.50    (#   1615:15  Preassigned    4.72, 5.06 A)
 &rst
  ixpk= 1615, nxpk= 15, iat= 475, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HG+          34 BTL  HN          5.50    (#   1616:15  Preassigned    4.84, 5.44 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#    0 AMB  15-3:1617    35 BTL  HN          7.00    (#   1617:15  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 526, 527, 551, 119,
 &end
#
#   33 SER  HB3          35 BTL  HN          5.50    (#   1618:15  Preassigned    5.42, 5.48 A)
 &rst
  ixpk= 1618, nxpk= 15, iat= 490, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA-          35 BTL  HN          7.00    (#   1619:15  Preassigned    5.76, 6.32 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 110, 111,
 &end
#
#   22 ILE  HA           26 GLN  HE21        5.50    (#   1621:15  Preassigned    3.42, 3.87 A)
 &rst
  ixpk= 1621, nxpk= 15, iat= 313, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HA           26 GLN  HE21        5.50    (#   1622:15  Preassigned    3.50, 4.08 A)
 &rst
  ixpk= 1622, nxpk= 15, iat= 408, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          26 GLN  HE22        5.50    (#   1623:15  Preassigned    2.56, 3.22 A)
 &rst
  ixpk= 1623, nxpk= 15, iat= 379, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1624    26 GLN  HE22        5.50    (#   1624:15  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 378, 410,
 &end
#
#   22 ILE  HB           26 GLN  HE21        5.50    (#   1625:15  Preassigned    3.82, 4.09 A)
 &rst
  ixpk= 1625, nxpk= 15, iat= 315, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HB           26 GLN  HE22        5.50    (#   1626:15  Preassigned    3.89, 4.43 A)
 &rst
  ixpk= 1626, nxpk= 15, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  QD1          26 GLN  HE22        5.50    (#   1627:15  Preassigned    5.73, 6.63 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   68 LEU  QD2          46 GLY  HN          5.50    (#   1628:15  Preassigned    4.94, 6.14 A)
 &rst
  ixpk= 1628, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   22 ILE  QG2          46 GLY  HN          5.50    (#   1629:15  Preassigned    5.23, 5.90 A)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   48 VAL  QG2          46 GLY  HN          7.00    (#   1630:15  Preassigned    5.81, 6.73 A)
 &rst
  ixpk= 1630, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:1631    46 GLY  HN          5.50    (#   1631:15  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 737, 738, 692, 693, 349,
 &end
#
#   44 ARG  HA           46 GLY  HN          7.00    (#   1632:15  Preassigned    6.37, 6.45 A)
 &rst
  ixpk= 1632, nxpk= 15, iat= 687, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 GLN  HE21         46 GLY  HN          5.50    (#   1633:15  Preassigned    2.58, 3.15 A)
 &rst
  ixpk= 1633, nxpk= 15, iat= 306, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HA            9 GLY  HN          5.50    (#   1638:15  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 1638, nxpk= 15, iat= 917, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 ALA N 40 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 40 ILE N 29 ALA O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 31 LEU N 38 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 38 ILE N 31 LEU O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 468, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 33 SER N 36 MET O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 578, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 36 MET N 33 SER O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 66 LEU N 3 VAL O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  32, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 22 ILE N 46 GLY O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 725, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 46 GLY N 22 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 67 GLU- N 50 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1052, 797, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 50 GLU- N 67 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783,1066, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 10 ASN N 32 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 483, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 32 GLU- N 10 ASN O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 127, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9 GLY N 59 VAL O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 59 VAL N 9 GLY O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29 ALA HN 40 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 645, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 40 ILE HN 29 ALA O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 430, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 31 LEU HN 38 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 612, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 38 ILE HN 31 LEU O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 468, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 33 SER HN 36 MET O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 578, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 36 MET HN 33 SER O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 494, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 66 LEU HN 3 VAL O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  32, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 22 ILE HN 46 GLY O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 725, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 46 GLY HN 22 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 328, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 67 GLU- HN 50 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1053, 797, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 50 GLU- HN 67 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 784,1066, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 10 ASN HN 32 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 483, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 32 GLU- HN 10 ASN O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 127, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 9 GLY HN 59 VAL O      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 949, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 59 VAL HN 9 GLY O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
# 1153 atoms read from pdb file prm1.pdb.
# 3 VAL PHI:  (2 THR C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -150.0 -70.0
 &rst     iat =    15,    17,    19,    31,
   r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 4 SER PHI:  (3 VAL C)-(4 SER N)-(4 SER CA)-(4 SER C) -179.0 -99.0
 &rst     iat =    31,    33,    35,    42,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 5 ILE PHI:  (4 SER C)-(5 ILE N)-(5 ILE CA)-(5 ILE C) -140.0 -60.0
 &rst     iat =    42,    44,    46,    61,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 6 GLN PHI:  (5 ILE C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -160.0 -80.0
 &rst     iat =    61,    63,    65,    78,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 7 MET PHI:  (6 GLN C)-(7 MET N)-(7 MET CA)-(7 MET C) -154.0 -94.0
 &rst     iat =    78,    80,    82,    95,
   r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0,
 &end

# 10 ASN PHI:  (9 GLY C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -150.0 -70.0
 &rst     iat =   112,   114,   116,   126,
   r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
 &end

# 13 LYS PHI:  (12 TRP C)-(13 LYS N)-(13 LYS CA)-(13 LYS C) -179.0 -99.0
 &rst     iat =   169,   171,   173,   191,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 14 VAL PHI:  (13 LYS C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -169.0 -109.0
 &rst     iat =   191,   193,   195,   207,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 17 LYS PHI:  (16 VAL C)-(17 LYS N)-(17 LYS CA)-(17 LYS C) -151.0 -71.0
 &rst     iat =   240,   242,   244,   262,
   r1 = -152.0, r2 = -151.0, r3 = -71.0, r4 = -70.0,
 &end

# 21 GLN PHI:  (20 ASP C)-(21 GLN N)-(21 GLN CA)-(21 GLN C) -146.0 -66.0
 &rst     iat =   291,   293,   295,   308,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 22 ILE PHI:  (21 GLN C)-(22 ILE N)-(22 ILE CA)-(22 ILE C) -169.0 -109.0
 &rst     iat =   308,   310,   312,   327,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 23 GLU PHI:  (22 ILE C)-(23 GLU N)-(23 GLU CA)-(23 GLU C) -179.0 -99.0
 &rst     iat =   327,   329,   331,   342,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 29 ALA PHI:  (28 VAL C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -179.0 -99.0
 &rst     iat =   419,   421,   423,   429,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 30 ILE PHI:  (29 ALA C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -169.0 -109.0
 &rst     iat =   429,   431,   433,   448,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 31 LEU PHI:  (30 ILE C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -150.0 -90.0
 &rst     iat =   448,   450,   452,   467,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 32 GLU PHI:  (31 LEU C)-(32 GLU N)-(32 GLU CA)-(32 GLU C) -138.0 -68.0
 &rst     iat =   467,   469,   471,   482,
   r1 = -139.0, r2 = -138.0, r3 = -68.0, r4 = -67.0,
 &end

# 33 SER PHI:  (32 GLU C)-(33 SER N)-(33 SER CA)-(33 SER C) -169.0 -109.0
 &rst     iat =   482,   484,   486,   493,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 38 ILE PHI:  (37 GLU C)-(38 ILE N)-(38 ILE CA)-(38 ILE C) -179.0 -99.0
 &rst     iat =   592,   594,   596,   611,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 40 ILE PHI:  (39 PRO C)-(40 ILE N)-(40 ILE CA)-(40 ILE C) -169.0 -109.0
 &rst     iat =   625,   627,   629,   644,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 41 VAL PHI:  (40 ILE C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -140.0  80.0
 &rst     iat =   644,   646,   648,   660,
   r1 = -141.0, r2 = -140.0, r3 =  80.0, r4 =  81.0,
 &end

# 42 ALA PHI:  (41 VAL C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -143.0 -63.0
 &rst     iat =   660,   662,   664,   670,
   r1 = -144.0, r2 = -143.0, r3 = -63.0, r4 = -62.0,
 &end

# 44 ARG PHI:  (43 ASP C)-(44 ARG N)-(44 ARG CA)-(44 ARG C) -157.0 -97.0
 &rst     iat =   682,   684,   686,   706,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end

# 47 ILE PHI:  (46 GLY C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -144.0 -84.0
 &rst     iat =   724,   726,   728,   743,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 48 VAL PHI:  (47 ILE C)-(48 VAL N)-(48 VAL CA)-(48 VAL C) -119.0 -59.0
 &rst     iat =   743,   745,   747,   759,
   r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
 &end

# 49 LYS PHI:  (48 VAL C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -132.0 -72.0
 &rst     iat =   759,   761,   763,   781,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end

# 51 VAL PHI:  (50 GLU C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -142.0 -82.0
 &rst     iat =   796,   798,   800,   812,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

# 53 LYS PHI:  (52 LYS C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -170.0 -110.0
 &rst     iat =   834,   836,   838,   856,
   r1 = -171.0, r2 = -170.0, r3 = -110.0, r4 = -109.0,
 &end

# 54 LYS PHI:  (53 LYS C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -161.0 -81.0
 &rst     iat =   856,   858,   860,   878,
   r1 = -162.0, r2 = -161.0, r3 = -81.0, r4 = -80.0,
 &end

# 58 PHE PHI:  (57 ASP C)-(58 PHE N)-(58 PHE CA)-(58 PHE C) -127.0 -67.0
 &rst     iat =   912,   914,   916,   932,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
 &end

# 59 VAL PHI:  (58 PHE C)-(59 VAL N)-(59 VAL CA)-(59 VAL C) -167.0 -87.0
 &rst     iat =   932,   934,   936,   948,
   r1 = -168.0, r2 = -167.0, r3 = -87.0, r4 = -86.0,
 &end

# 60 ASN PHI:  (59 VAL C)-(60 ASN N)-(60 ASN CA)-(60 ASN C) -149.0 -69.0
 &rst     iat =   948,   950,   952,   962,
   r1 = -150.0, r2 = -149.0, r3 = -69.0, r4 = -68.0,
 &end

# 65 LEU PHI:  (64 VAL C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -135.0 -55.0
 &rst     iat =  1012,  1014,  1016,  1031,
   r1 = -136.0, r2 = -135.0, r3 = -55.0, r4 = -54.0,
 &end

# 66 LEU PHI:  (65 LEU C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -169.0 -109.0
 &rst     iat =  1031,  1033,  1035,  1050,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 67 GLU PHI:  (66 LEU C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -169.0 -109.0
 &rst     iat =  1050,  1052,  1054,  1065,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 68 LEU PHI:  (67 GLU C)-(68 LEU N)-(68 LEU CA)-(68 LEU C) -169.0 -109.0
 &rst     iat =  1065,  1067,  1069,  1084,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 3 VAL PSI:  (3 VAL N)-(3 VAL CA)-(3 VAL C)-(4 SER N) 105.0 165.0
 &rst     iat =    17,    19,    31,    33,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 4 SER PSI:  (4 SER N)-(4 SER CA)-(4 SER C)-(5 ILE N) 105.0 165.0
 &rst     iat =    33,    35,    42,    44,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 5 ILE PSI:  (5 ILE N)-(5 ILE CA)-(5 ILE C)-(6 GLN N) 105.0 165.0
 &rst     iat =    44,    46,    61,    63,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 7 MET PSI:  (7 MET N)-(7 MET CA)-(7 MET C)-(8 ALA N) 120.0 180.0
 &rst     iat =    80,    82,    95,    97,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 LEU N)  93.0 173.0
 &rst     iat =   114,   116,   126,   128,
   r1 =  92.0, r2 =  93.0, r3 = 173.0, r4 = 174.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 VAL N)  95.0 175.0
 &rst     iat =   171,   173,   191,   193,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 HID N) 105.0 165.0
 &rst     iat =   193,   195,   207,   209,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 17 LYS PSI:  (17 LYS N)-(17 LYS CA)-(17 LYS C)-(18 ALA N) 120.0 180.0
 &rst     iat =   242,   244,   262,   264,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 21 GLN PSI:  (21 GLN N)-(21 GLN CA)-(21 GLN C)-(22 ILE N) 105.0 155.0
 &rst     iat =   293,   295,   308,   310,
   r1 = 104.0, r2 = 105.0, r3 = 155.0, r4 = 156.0,
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 GLU N)  95.0 175.0
 &rst     iat =   310,   312,   327,   329,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 23 GLU PSI:  (23 GLU N)-(23 GLU CA)-(23 GLU C)-(24 LYS N) 105.0 165.0
 &rst     iat =   329,   331,   342,   344,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 26 GLN PSI:  (26 GLN N)-(26 GLN CA)-(26 GLN C)-(27 GLU N) 110.0 170.0
 &rst     iat =   373,   375,   388,   390,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 VAL N) 107.0 167.0
 &rst     iat =   390,   392,   403,   405,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 ILE N)  95.0 175.0
 &rst     iat =   421,   423,   429,   431,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 LEU N) 105.0 165.0
 &rst     iat =   431,   433,   448,   450,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 GLU N) 105.0 165.0
 &rst     iat =   450,   452,   467,   469,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 32 GLU PSI:  (32 GLU N)-(32 GLU CA)-(32 GLU C)-(33 SER N) 105.0 165.0
 &rst     iat =   469,   471,   482,   484,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 33 SER PSI:  (33 SER N)-(33 SER CA)-(33 SER C)-(34 MET N)  83.0 163.0
 &rst     iat =   484,   486,   493,   495,
   r1 =  82.0, r2 =  83.0, r3 = 163.0, r4 = 164.0,
 &end

# 38 ILE PSI:  (38 ILE N)-(38 ILE CA)-(38 ILE C)-(39 PRO N)  95.0 175.0
 &rst     iat =   594,   596,   611,   613,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 39 PRO PSI:  (39 PRO N)-(39 PRO CA)-(39 PRO C)-(40 ILE N) 105.0 165.0
 &rst     iat =   613,   623,   625,   627,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 40 ILE PSI:  (40 ILE N)-(40 ILE CA)-(40 ILE C)-(41 VAL N)  95.0 175.0
 &rst     iat =   627,   629,   644,   646,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 ALA N) 116.0 176.0
 &rst     iat =   646,   648,   660,   662,
   r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
 &end

# 42 ALA PSI:  (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 ASP N) 105.0 165.0
 &rst     iat =   662,   664,   670,   672,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 44 ARG PSI:  (44 ARG N)-(44 ARG CA)-(44 ARG C)-(45 SER N) 120.0 180.0
 &rst     iat =   684,   686,   706,   708,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 VAL N) 101.0 161.0
 &rst     iat =   726,   728,   743,   745,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 48 VAL PSI:  (48 VAL N)-(48 VAL CA)-(48 VAL C)-(49 LYS N)  89.0 169.0
 &rst     iat =   745,   747,   759,   761,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 GLU N) -60.0   0.0
 &rst     iat =   761,   763,   781,   783,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 LYS N)  89.0 149.0
 &rst     iat =   798,   800,   812,   814,
   r1 =  88.0, r2 =  89.0, r3 = 149.0, r4 = 150.0,
 &end

# 53 LYS PSI:  (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 LYS N) 120.0 180.0
 &rst     iat =   836,   838,   856,   858,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 54 LYS PSI:  (54 LYS N)-(54 LYS CA)-(54 LYS C)-(55 GLU N) 120.0 180.0
 &rst     iat =   858,   860,   878,   880,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 58 PHE PSI:  (58 PHE N)-(58 PHE CA)-(58 PHE C)-(59 VAL N) 105.0 165.0
 &rst     iat =   914,   916,   932,   934,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 59 VAL PSI:  (59 VAL N)-(59 VAL CA)-(59 VAL C)-(60 ASN N) 108.0 168.0
 &rst     iat =   934,   936,   948,   950,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end

# 60 ASN PSI:  (60 ASN N)-(60 ASN CA)-(60 ASN C)-(61 GLU N) 118.0 178.0
 &rst     iat =   950,   952,   962,   964,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 LEU N) -50.0  10.0
 &rst     iat =  1014,  1016,  1031,  1033,
   r1 = -51.0, r2 = -50.0, r3 =  10.0, r4 =  11.0,
 &end

# 66 LEU PSI:  (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 GLU N) 105.0 165.0
 &rst     iat =  1033,  1035,  1050,  1052,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 LEU N) 105.0 165.0
 &rst     iat =  1052,  1054,  1065,  1067,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 68 LEU PSI:  (68 LEU N)-(68 LEU CA)-(68 LEU C)-(69 SER N)  95.0 175.0
 &rst     iat =  1067,  1069,  1084,  1086,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 3 VAL CHI1:  (3 VAL N)-(3 VAL CA)-(3 VAL CB)-(3 VAL CG1) 150.0 210.0
 &rst     iat =    17,    19,    21,    23,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 SER CHI1:  (4 SER N)-(4 SER CA)-(4 SER CB)-(4 SER OG) -90.0 -30.0
 &rst     iat =    33,    35,    37,    40,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 5 ILE CHI1:  (5 ILE N)-(5 ILE CA)-(5 ILE CB)-(5 ILE CG1) -90.0 -30.0
 &rst     iat =    44,    46,    48,    54,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 GLN CHI1:  (6 GLN N)-(6 GLN CA)-(6 GLN CB)-(6 GLN CG)  30.0  90.0
 &rst     iat =    63,    65,    67,    70,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 10 ASN CHI1:  (10 ASN N)-(10 ASN CA)-(10 ASN CB)-(10 ASN CG) -90.0 -30.0
 &rst     iat =   114,   116,   118,   121,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 TRP CHI1:  (12 TRP N)-(12 TRP CA)-(12 TRP CB)-(12 TRP CG) 150.0 210.0
 &rst     iat =   147,   149,   151,   154,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 13 LYS CHI1:  (13 LYS N)-(13 LYS CA)-(13 LYS CB)-(13 LYS CG) -90.0 -30.0
 &rst     iat =   171,   173,   175,   178,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 14 VAL CHI1:  (14 VAL N)-(14 VAL CA)-(14 VAL CB)-(14 VAL CG1) 150.0 210.0
 &rst     iat =   193,   195,   197,   199,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 HIS CHI1:  (15 HID N)-(15 HID CA)-(15 HID CB)-(15 HID CG) -90.0 -30.0
 &rst     iat =   209,   211,   213,   216,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 VAL CHI1:  (16 VAL N)-(16 VAL CA)-(16 VAL CB)-(16 VAL CG1) -90.0 -30.0
 &rst     iat =   226,   228,   230,   232,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 20 ASP CHI1:  (20 ASP N)-(20 ASP CA)-(20 ASP CB)-(20 ASP CG) 150.0 210.0
 &rst     iat =   281,   283,   285,   288,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 21 GLN CHI1:  (21 GLN N)-(21 GLN CA)-(21 GLN CB)-(21 GLN CG) 150.0 210.0
 &rst     iat =   293,   295,   297,   300,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ILE CHI1:  (22 ILE N)-(22 ILE CA)-(22 ILE CB)-(22 ILE CG1)  30.0  90.0
 &rst     iat =   310,   312,   314,   320,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 23 GLU CHI1:  (23 GLU N)-(23 GLU CA)-(23 GLU CB)-(23 GLU CG) 150.0 210.0
 &rst     iat =   329,   331,   333,   336,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 LYS CHI1:  (24 LYS N)-(24 LYS CA)-(24 LYS CB)-(24 LYS CG) 150.0 210.0
 &rst     iat =   344,   346,   348,   351,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 26 GLN CHI1:  (26 GLN N)-(26 GLN CA)-(26 GLN CB)-(26 GLN CG) 150.0 210.0
 &rst     iat =   373,   375,   377,   380,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 150.0 210.0
 &rst     iat =   390,   392,   394,   397,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 VAL CHI1:  (28 VAL N)-(28 VAL CA)-(28 VAL CB)-(28 VAL CG1) -90.0 -30.0
 &rst     iat =   405,   407,   409,   411,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 ILE CHI1:  (30 ILE N)-(30 ILE CA)-(30 ILE CB)-(30 ILE CG1) -90.0 -30.0
 &rst     iat =   431,   433,   435,   441,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 GLU CHI1:  (32 GLU N)-(32 GLU CA)-(32 GLU CB)-(32 GLU CG) 150.0 210.0
 &rst     iat =   469,   471,   473,   476,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 34 MET CHI1:  (34 MET N)-(34 MET CA)-(34 MET CB)-(34 MET CG) -90.0 -30.0
 &rst     iat =   495,   497,   499,   502,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 36 MET CHI1:  (36 MET N)-(36 MET CA)-(36 MET CB)-(36 MET CG) -90.0 -30.0
 &rst     iat =   562,   564,   566,   569,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 38 ILE CHI1:  (38 ILE N)-(38 ILE CA)-(38 ILE CB)-(38 ILE CG1) -90.0 -30.0
 &rst     iat =   594,   596,   598,   604,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 40 ILE CHI1:  (40 ILE N)-(40 ILE CA)-(40 ILE CB)-(40 ILE CG1) -90.0 -30.0
 &rst     iat =   627,   629,   631,   637,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 41 VAL CHI1:  (41 VAL N)-(41 VAL CA)-(41 VAL CB)-(41 VAL CG1) -90.0 -30.0
 &rst     iat =   646,   648,   650,   652,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 43 ASP CHI1:  (43 ASP N)-(43 ASP CA)-(43 ASP CB)-(43 ASP CG) 150.0 210.0
 &rst     iat =   672,   674,   676,   679,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 45 SER CHI1:  (45 SER N)-(45 SER CA)-(45 SER CB)-(45 SER OG) -90.0 -30.0
 &rst     iat =   708,   710,   712,   715,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 47 ILE CHI1:  (47 ILE N)-(47 ILE CA)-(47 ILE CB)-(47 ILE CG1) -90.0 -30.0
 &rst     iat =   726,   728,   730,   736,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 48 VAL CHI1:  (48 VAL N)-(48 VAL CA)-(48 VAL CB)-(48 VAL CG1) 150.0 210.0
 &rst     iat =   745,   747,   749,   751,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 49 LYS CHI1:  (49 LYS N)-(49 LYS CA)-(49 LYS CB)-(49 LYS CG) 150.0 210.0
 &rst     iat =   761,   763,   765,   768,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 50 GLU CHI1:  (50 GLU N)-(50 GLU CA)-(50 GLU CB)-(50 GLU CG) 150.0 210.0
 &rst     iat =   783,   785,   787,   790,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 51 VAL CHI1:  (51 VAL N)-(51 VAL CA)-(51 VAL CB)-(51 VAL CG1) 150.0 210.0
 &rst     iat =   798,   800,   802,   804,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 52 LYS CHI1:  (52 LYS N)-(52 LYS CA)-(52 LYS CB)-(52 LYS CG) -90.0 -30.0
 &rst     iat =   814,   816,   818,   821,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 53 LYS CHI1:  (53 LYS N)-(53 LYS CA)-(53 LYS CB)-(53 LYS CG) -90.0 -30.0
 &rst     iat =   836,   838,   840,   843,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 54 LYS CHI1:  (54 LYS N)-(54 LYS CA)-(54 LYS CB)-(54 LYS CG)  30.0  90.0
 &rst     iat =   858,   860,   862,   865,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 57 ASP CHI1:  (57 ASP N)-(57 ASP CA)-(57 ASP CB)-(57 ASP CG) 150.0 210.0
 &rst     iat =   902,   904,   906,   909,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 58 PHE CHI1:  (58 PHE N)-(58 PHE CA)-(58 PHE CB)-(58 PHE CG) 150.0 210.0
 &rst     iat =   914,   916,   918,   921,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 59 VAL CHI1:  (59 VAL N)-(59 VAL CA)-(59 VAL CB)-(59 VAL CG1) -90.0 -30.0
 &rst     iat =   934,   936,   938,   940,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 61 GLU CHI1:  (61 GLU N)-(61 GLU CA)-(61 GLU CB)-(61 GLU CG) 150.0 210.0
 &rst     iat =   964,   966,   968,   971,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 63 ASP CHI1:  (63 ASP N)-(63 ASP CA)-(63 ASP CB)-(63 ASP CG) 150.0 210.0
 &rst     iat =   986,   988,   990,   993,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 64 VAL CHI1:  (64 VAL N)-(64 VAL CA)-(64 VAL CB)-(64 VAL CG1) -90.0 -30.0
 &rst     iat =   998,  1000,  1002,  1004,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) 150.0 210.0
 &rst     iat =  1014,  1016,  1018,  1021,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 67 GLU CHI1:  (67 GLU N)-(67 GLU CA)-(67 GLU CB)-(67 GLU CG) 150.0 210.0
 &rst     iat =  1052,  1054,  1056,  1059,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 68 LEU CHI1:  (68 LEU N)-(68 LEU CA)-(68 LEU CB)-(68 LEU CG) -90.0 -30.0
 &rst     iat =  1067,  1069,  1071,  1074,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 69 SER CHI1:  (69 SER N)-(69 SER CA)-(69 SER CB)-(69 SER OG) -90.0 -30.0
 &rst     iat =  1086,  1088,  1090,  1093,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

#
#  chirality for residue 2 atoms:  CA CG2 OG1 HB
 &rst iat=5,9,13,8, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=1,15,6,7, &end
#
#  chirality for residue 3 atoms:  CA CG1 CG2 HB
 &rst iat=19,23,27,22, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=17,31,20,21, &end
#
#  chirality for residue 4 atoms:  CA OG HB2 HB3
 &rst iat=35,40,38,39, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=33,42,36,37, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=46,50,54,49, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=48,57,55,56, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=44,61,47,48, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=67,73,71,72, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=63,78,66,67, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 7 atoms:  CB SD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=80,95,83,84, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=97,105,100,101, &end
#
#  chirality for residue 9 atoms:  N C HA2 HA3
 &rst iat=107,112,110,111, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=114,126,117,118, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=130,135,133,134, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=132,137,141,136, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=128,145,131,132, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=149,154,152,153, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=147,169,150,151, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=181,187,185,186, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=178,184,182,183, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=171,191,174,175, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=195,199,203,198, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=193,207,196,197, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=211,216,214,215, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=209,224,212,213, &end
#
#  chirality for residue 16 atoms:  CA CG1 CG2 HB
 &rst iat=228,232,236,231, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=226,240,229,230, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=244,249,247,248, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=246,252,250,251, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=252,258,256,257, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=249,255,253,254, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=242,262,245,246, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=264,272,267,268, &end
#
#  chirality for residue 19 atoms:  N C HA2 HA3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=283,288,286,287, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=281,291,284,285, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=297,303,301,302, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=293,308,296,297, &end
#
#  chirality for residue 22 atoms:  CA CG2 CG1 HB
 &rst iat=312,316,320,315, &end
#
#  chirality for residue 22 atoms:  CB CD1 HG12 HG13
 &rst iat=314,323,321,322, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=310,327,313,314, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=331,336,334,335, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=333,339,337,338, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=329,342,332,333, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=346,351,349,350, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=348,354,352,353, &end
#
#  chirality for residue 24 atoms:  CD NZ HE2 HE3
 &rst iat=354,360,358,359, &end
#
#  chirality for residue 24 atoms:  CG CE HD2 HD3
 &rst iat=351,357,355,356, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=344,364,347,348, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=366,371,369,370, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=375,380,378,379, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=377,383,381,382, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=373,388,376,377, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=392,397,395,396, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=394,400,398,399, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=390,403,393,394, &end
#
#  chirality for residue 28 atoms:  CA CG1 CG2 HB
 &rst iat=407,411,415,410, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=405,419,408,409, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=421,429,424,425, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=433,437,441,436, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=435,444,442,443, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=431,448,434,435, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=454,459,463,458, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=450,467,453,454, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=471,476,474,475, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=473,479,477,478, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=469,482,472,473, &end
#
#  chirality for residue 33 atoms:  CA OG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=484,493,487,488, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=497,502,500,501, &end
#
#  chirality for residue 34 atoms:  CB SD HG2 HG3
 &rst iat=499,505,503,504, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=495,510,498,499, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=564,569,567,568, &end
#
#  chirality for residue 36 atoms:  CB SD HG2 HG3
 &rst iat=566,572,570,571, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=562,577,565,566, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=581,586,584,585, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=583,589,587,588, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=579,592,582,583, &end
#
#  chirality for residue 38 atoms:  CA CG2 CG1 HB
 &rst iat=596,600,604,599, &end
#
#  chirality for residue 38 atoms:  CB CD1 HG12 HG13
 &rst iat=598,607,605,606, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=594,611,597,598, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=623,617,621,622, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=620,614,618,619, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=617,613,615,616, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=613,625,624,620, &end
#
#  chirality for residue 40 atoms:  CA CG2 CG1 HB
 &rst iat=629,633,637,632, &end
#
#  chirality for residue 40 atoms:  CB CD1 HG12 HG13
 &rst iat=631,640,638,639, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=627,644,630,631, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=648,652,656,651, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=646,660,649,650, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=662,670,665,666, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=674,679,677,678, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=672,682,675,676, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=686,691,689,690, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=688,694,692,693, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=691,697,695,696, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=684,706,687,688, &end
#
#  chirality for residue 45 atoms:  CA OG HB2 HB3
 &rst iat=710,715,713,714, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=708,717,711,712, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=719,724,722,723, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=728,732,736,731, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=730,739,737,738, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=726,743,729,730, &end
#
#  chirality for residue 48 atoms:  CA CG1 CG2 HB
 &rst iat=747,751,755,750, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=745,759,748,749, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=763,768,766,767, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=765,771,769,770, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=768,774,772,773, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=761,781,764,765, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=785,790,788,789, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=787,793,791,792, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=783,796,786,787, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=800,804,808,803, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=798,812,801,802, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=816,821,819,820, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=818,824,822,823, &end
#
#  chirality for residue 52 atoms:  CD NZ HE2 HE3
 &rst iat=824,830,828,829, &end
#
#  chirality for residue 52 atoms:  CG CE HD2 HD3
 &rst iat=821,827,825,826, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=814,834,817,818, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=838,843,841,842, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=840,846,844,845, &end
#
#  chirality for residue 53 atoms:  CD NZ HE2 HE3
 &rst iat=846,852,850,851, &end
#
#  chirality for residue 53 atoms:  CG CE HD2 HD3
 &rst iat=843,849,847,848, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=836,856,839,840, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=860,865,863,864, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=862,868,866,867, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=868,874,872,873, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=865,871,869,870, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=858,878,861,862, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=882,887,885,886, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=884,890,888,889, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=880,893,883,884, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=895,900,898,899, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=904,909,907,908, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=902,912,905,906, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=916,921,919,920, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=914,932,917,918, &end
#
#  chirality for residue 59 atoms:  CA CG1 CG2 HB
 &rst iat=936,940,944,939, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=934,948,937,938, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=952,957,955,956, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=950,962,953,954, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=966,971,969,970, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=968,974,972,973, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=964,977,967,968, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=979,984,982,983, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=988,993,991,992, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=986,996,989,990, &end
#
#  chirality for residue 64 atoms:  CA CG1 CG2 HB
 &rst iat=1000,1004,1008,1003, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=998,1012,1001,1002, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1016,1021,1019,1020, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=1018,1023,1027,1022, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1014,1031,1017,1018, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1035,1040,1038,1039, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=1037,1042,1046,1041, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1033,1050,1036,1037, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1054,1059,1057,1058, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1056,1062,1060,1061, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1052,1065,1055,1056, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1069,1074,1072,1073, &end
#
#  chirality for residue 68 atoms:  CB CD1 CD2 HG
 &rst iat=1071,1076,1080,1075, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1067,1084,1070,1071, &end
#
#  chirality for residue 69 atoms:  CA OG HB2 HB3
 &rst iat=1088,1093,1091,1092, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1086,1095,1089,1090, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1099,1104,1102,1103, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1097,1109,1100,1101, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1113,1118,1116,1117, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1111,1120,1114,1115, &end
#
#  chirality for residue 72 atoms:  CA CG2 OG1 HB
 &rst iat=1124,1128,1132,1127, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1122,1134,1125,1126, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1138,1143,1141,1142, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1140,1146,1144,1145, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1136,1151,1139,1140, &end
#
#  trans-omega constraint for residue 3
 &rst iat=19,17,15,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 4
 &rst iat=35,33,31,19, &end
#
#  trans-omega constraint for residue 5
 &rst iat=46,44,42,35, &end
#
#  trans-omega constraint for residue 6
 &rst iat=65,63,61,46, &end
#
#  trans-omega constraint for residue 7
 &rst iat=82,80,78,65, &end
#
#  trans-omega constraint for residue 8
 &rst iat=99,97,95,82, &end
#
#  trans-omega constraint for residue 9
 &rst iat=109,107,105,99, &end
#
#  trans-omega constraint for residue 10
 &rst iat=116,114,112,109, &end
#
#  trans-omega constraint for residue 11
 &rst iat=130,128,126,116, &end
#
#  trans-omega constraint for residue 12
 &rst iat=149,147,145,130, &end
#
#  trans-omega constraint for residue 13
 &rst iat=173,171,169,149, &end
#
#  trans-omega constraint for residue 14
 &rst iat=195,193,191,173, &end
#
#  trans-omega constraint for residue 15
 &rst iat=211,209,207,195, &end
#
#  trans-omega constraint for residue 16
 &rst iat=228,226,224,211, &end
#
#  trans-omega constraint for residue 17
 &rst iat=244,242,240,228, &end
#
#  trans-omega constraint for residue 18
 &rst iat=266,264,262,244, &end
#
#  trans-omega constraint for residue 19
 &rst iat=276,274,272,266, &end
#
#  trans-omega constraint for residue 20
 &rst iat=283,281,279,276, &end
#
#  trans-omega constraint for residue 21
 &rst iat=295,293,291,283, &end
#
#  trans-omega constraint for residue 22
 &rst iat=312,310,308,295, &end
#
#  trans-omega constraint for residue 23
 &rst iat=331,329,327,312, &end
#
#  trans-omega constraint for residue 24
 &rst iat=346,344,342,331, &end
#
#  trans-omega constraint for residue 25
 &rst iat=368,366,364,346, &end
#
#  trans-omega constraint for residue 26
 &rst iat=375,373,371,368, &end
#
#  trans-omega constraint for residue 27
 &rst iat=392,390,388,375, &end
#
#  trans-omega constraint for residue 28
 &rst iat=407,405,403,392, &end
#
#  trans-omega constraint for residue 29
 &rst iat=423,421,419,407, &end
#
#  trans-omega constraint for residue 30
 &rst iat=433,431,429,423, &end
#
#  trans-omega constraint for residue 31
 &rst iat=452,450,448,433, &end
#
#  trans-omega constraint for residue 33
 &rst iat=486,484,482,471, &end
#
#  trans-omega constraint for residue 34
 &rst iat=497,495,493,486, &end
#
#  trans-omega constraint for residue 35
 &rst iat=514,512,510,497, &end
#
#  trans-omega constraint for residue 36
 &rst iat=564,562,560,514, &end
#
#  trans-omega constraint for residue 37
 &rst iat=581,579,577,564, &end
#
#  trans-omega constraint for residue 38
 &rst iat=596,594,592,581, &end
#
#  trans-omega constraint for residue 39
 &rst iat=623,613,611,596, &end
#
#  trans-omega constraint for residue 40
 &rst iat=629,627,625,623, &end
#
#  trans-omega constraint for residue 41
 &rst iat=648,646,644,629, &end
#
#  trans-omega constraint for residue 42
 &rst iat=664,662,660,648, &end
#
#  trans-omega constraint for residue 43
 &rst iat=674,672,670,664, &end
#
#  trans-omega constraint for residue 44
 &rst iat=686,684,682,674, &end
#
#  trans-omega constraint for residue 45
 &rst iat=710,708,706,686, &end
#
#  trans-omega constraint for residue 46
 &rst iat=721,719,717,710, &end
#
#  trans-omega constraint for residue 47
 &rst iat=728,726,724,721, &end
#
#  trans-omega constraint for residue 48
 &rst iat=747,745,743,728, &end
#
#  trans-omega constraint for residue 49
 &rst iat=763,761,759,747, &end
#
#  trans-omega constraint for residue 50
 &rst iat=785,783,781,763, &end
#
#  trans-omega constraint for residue 51
 &rst iat=800,798,796,785, &end
#
#  trans-omega constraint for residue 52
 &rst iat=816,814,812,800, &end
#
#  trans-omega constraint for residue 53
 &rst iat=838,836,834,816, &end
#
#  trans-omega constraint for residue 54
 &rst iat=860,858,856,838, &end
#
#  trans-omega constraint for residue 55
 &rst iat=882,880,878,860, &end
#
#  trans-omega constraint for residue 56
 &rst iat=897,895,893,882, &end
#
#  trans-omega constraint for residue 57
 &rst iat=904,902,900,897, &end
#
#  trans-omega constraint for residue 58
 &rst iat=916,914,912,904, &end
#
#  trans-omega constraint for residue 59
 &rst iat=936,934,932,916, &end
#
#  trans-omega constraint for residue 60
 &rst iat=952,950,948,936, &end
#
#  trans-omega constraint for residue 61
 &rst iat=966,964,962,952, &end
#
#  trans-omega constraint for residue 62
 &rst iat=981,979,977,966, &end
#
#  trans-omega constraint for residue 63
 &rst iat=988,986,984,981, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1000,998,996,988, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1016,1014,1012,1000, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1035,1033,1031,1016, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1054,1052,1050,1035, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1069,1067,1065,1054, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1088,1086,1084,1069, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1099,1097,1095,1088, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1113,1111,1109,1099, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1124,1122,1120,1113, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1138,1136,1134,1124, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   2           H1       THR   2   1.378  -0.052   3.676
    2   2H    THR   2           H2       THR   2   2.248  -1.350   4.196
    3   3H    THR   2           H3       THR   2   0.991  -1.562   3.157
    4    HA   THR   2           HA       THR   2   0.837  -0.616   5.928
    5    HB   THR   2           HB       THR   2  -1.512  -1.170   4.095
    6    HG1  THR   2           HG1      THR   2  -0.440   1.353   4.829
    7   1HG2  THR   2          HG21      THR   2  -2.762   0.130   5.807
    8   2HG2  THR   2          HG22      THR   2  -2.110  -1.385   6.443
    9   3HG2  THR   2          HG23      THR   2  -1.311   0.159   6.829
   10    H    VAL   3           H        VAL   3  -0.760  -3.204   3.883
   11    HA   VAL   3           HA       VAL   3  -0.392  -5.075   6.154
   12    HB   VAL   3           HB       VAL   3  -1.852  -5.632   3.552
   13   1HG1  VAL   3          HG11      VAL   3  -2.172  -6.750   6.363
   14   2HG1  VAL   3          HG12      VAL   3  -3.139  -7.208   4.944
   15   3HG1  VAL   3          HG13      VAL   3  -1.416  -7.582   4.984
   16   1HG2  VAL   3          HG21      VAL   3  -3.062  -4.354   6.052
   17   2HG2  VAL   3          HG22      VAL   3  -2.982  -3.620   4.436
   18   3HG2  VAL   3          HG23      VAL   3  -3.992  -5.035   4.698
   19    H    SER   4           H        SER   4   0.794  -7.048   5.777
   20    HA   SER   4           HA       SER   4   2.480  -7.238   3.354
   21   1HB   SER   4          HB2       SER   4   3.490  -7.153   6.237
   22   2HB   SER   4          HB3       SER   4   4.479  -7.518   4.819
   23    HG   SER   4           HG       SER   4   4.612  -5.312   5.504
   24    H    ILE   5           H        ILE   5   3.478  -9.345   3.213
   25    HA   ILE   5           HA       ILE   5   1.720 -11.512   4.051
   26    HB   ILE   5           HB       ILE   5   4.333 -11.410   2.466
   27   1HG1  ILE   5          HG12      ILE   5   2.368 -12.293   0.728
   28   2HG1  ILE   5          HG13      ILE   5   1.428 -11.202   1.725
   29   1HG2  ILE   5          HG21      ILE   5   4.149 -13.603   3.467
   30   2HG2  ILE   5          HG22      ILE   5   2.436 -13.729   2.941
   31   3HG2  ILE   5          HG23      ILE   5   3.775 -13.742   1.777
   32   1HD1  ILE   5          HD11      ILE   5   4.024 -10.492   0.270
   33   2HD1  ILE   5          HD12      ILE   5   2.382 -10.096  -0.280
   34   3HD1  ILE   5          HD13      ILE   5   3.022  -9.372   1.197
   35    H    GLN   6           H        GLN   6   2.477 -13.324   5.335
   36    HA   GLN   6           HA       GLN   6   4.389 -12.505   7.472
   37   1HB   GLN   6          HB2       GLN   6   2.825 -13.405   9.063
   38   2HB   GLN   6          HB3       GLN   6   1.991 -12.271   8.005
   39   1HG   GLN   6          HG2       GLN   6   1.212 -14.334   6.641
   40   2HG   GLN   6          HG3       GLN   6   1.839 -15.321   7.961
   41   1HE2  GLN   6          HE22      GLN   6  -0.503 -12.759   7.120
   42   2HE2  GLN   6          HE21      GLN   6  -1.605 -13.071   8.442
   43    H    MET   7           H        MET   7   4.254 -14.710   5.004
   44    HA   MET   7           HA       MET   7   5.964 -16.640   6.384
   45   1HB   MET   7          HB2       MET   7   3.802 -17.534   6.964
   46   2HB   MET   7          HB3       MET   7   3.179 -17.287   5.341
   47   1HG   MET   7          HG2       MET   7   3.593 -19.636   5.792
   48   2HG   MET   7          HG3       MET   7   4.569 -19.044   4.463
   49   1HE   MET   7          HE1       MET   7   6.092 -21.085   4.398
   50   2HE   MET   7          HE2       MET   7   6.828 -21.839   5.831
   51   3HE   MET   7          HE3       MET   7   5.058 -21.802   5.651
   52    H    ALA   8           H        ALA   8   7.096 -17.971   4.837
   53    HA   ALA   8           HA       ALA   8   7.673 -16.758   2.276
   54   1HB   ALA   8          HB1       ALA   8   8.499 -19.402   3.534
   55   2HB   ALA   8          HB2       ALA   8   9.173 -18.710   2.046
   56   3HB   ALA   8          HB3       ALA   8   9.410 -17.868   3.594
   57    H    GLY   9           H        GLY   9   6.729 -17.214   0.305
   58   1HA   GLY   9          HA2       GLY   9   5.591 -19.715  -0.392
   59   2HA   GLY   9          HA3       GLY   9   4.329 -18.735   0.353
   60    H    ASN  10           H        ASN  10   3.226 -18.872  -1.578
   61    HA   ASN  10           HA       ASN  10   4.015 -16.965  -3.715
   62   1HB   ASN  10          HB2       ASN  10   2.898 -19.783  -4.085
   63   2HB   ASN  10          HB3       ASN  10   3.066 -18.576  -5.360
   64   1HD2  ASN  10          HD21      ASN  10   4.785 -20.916  -3.345
   65   2HD2  ASN  10          HD22      ASN  10   6.369 -20.651  -4.049
   66    H    LEU  11           H        LEU  11   2.283 -15.704  -4.264
   67    HA   LEU  11           HA       LEU  11   0.124 -15.708  -2.338
   68   1HB   LEU  11          HB2       LEU  11   1.594 -13.753  -3.156
   69   2HB   LEU  11          HB3       LEU  11   0.634 -13.776  -4.617
   70    HG   LEU  11           HG       LEU  11  -1.426 -13.377  -3.191
   71   1HD1  LEU  11          HD11      LEU  11   0.674 -13.170  -0.977
   72   2HD1  LEU  11          HD12      LEU  11  -0.940 -12.470  -0.845
   73   3HD1  LEU  11          HD13      LEU  11  -0.763 -14.218  -1.010
   74   1HD2  LEU  11          HD21      LEU  11  -0.895 -11.008  -2.793
   75   2HD2  LEU  11          HD22      LEU  11   0.844 -11.365  -2.834
   76   3HD2  LEU  11          HD23      LEU  11  -0.146 -11.542  -4.300
   77    H    TRP  12           H        TRP  12  -0.578 -17.772  -3.195
   78    HA   TRP  12           HA       TRP  12  -1.531 -18.686  -5.493
   79   1HB   TRP  12          HB2       TRP  12  -1.483 -19.955  -3.505
   80   2HB   TRP  12          HB3       TRP  12  -2.602 -18.893  -2.681
   81    HD1  TRP  12           HD1      TRP  12  -4.167 -19.948  -5.912
   82    HE1  TRP  12           HE1      TRP  12  -5.909 -21.732  -5.477
   83    HE3  TRP  12           HE3      TRP  12  -2.838 -21.184  -1.145
   84    HZ2  TRP  12           HZ2      TRP  12  -6.821 -23.324  -3.221
   85    HZ3  TRP  12           HZ3      TRP  12  -4.185 -22.782   0.139
   86    HH2  TRP  12           HH2      TRP  12  -6.197 -23.855  -0.864
   87    H    LYS  13           H        LYS  13  -3.523 -16.446  -3.447
   88    HA   LYS  13           HA       LYS  13  -4.929 -15.652  -5.876
   89   1HB   LYS  13          HB2       LYS  13  -6.442 -16.833  -3.548
   90   2HB   LYS  13          HB3       LYS  13  -7.153 -15.721  -4.733
   91   1HG   LYS  13          HG2       LYS  13  -6.444 -17.259  -6.587
   92   2HG   LYS  13          HG3       LYS  13  -5.958 -18.434  -5.364
   93   1HD   LYS  13          HD2       LYS  13  -8.778 -17.363  -5.764
   94   2HD   LYS  13          HD3       LYS  13  -8.162 -18.939  -6.301
   95   1HE   LYS  13          HE2       LYS  13  -7.550 -19.458  -3.927
   96   2HE   LYS  13          HE3       LYS  13  -8.324 -17.949  -3.425
   97   1HZ   LYS  13          HZ1       LYS  13 -10.433 -18.826  -4.308
   98   2HZ   LYS  13          HZ2       LYS  13  -9.710 -20.220  -4.756
   99   3HZ   LYS  13          HZ3       LYS  13  -9.834 -19.837  -3.179
  100    H    VAL  14           H        VAL  14  -6.026 -13.651  -5.665
  101    HA   VAL  14           HA       VAL  14  -5.447 -12.086  -3.217
  102    HB   VAL  14           HB       VAL  14  -4.800 -11.220  -6.070
  103   1HG1  VAL  14          HG11      VAL  14  -5.782  -9.302  -4.895
  104   2HG1  VAL  14          HG12      VAL  14  -4.721  -9.591  -3.487
  105   3HG1  VAL  14          HG13      VAL  14  -4.044  -9.083  -5.047
  106   1HG2  VAL  14          HG21      VAL  14  -2.511 -10.868  -5.119
  107   2HG2  VAL  14          HG22      VAL  14  -3.074 -11.537  -3.574
  108   3HG2  VAL  14          HG23      VAL  14  -3.003 -12.562  -5.016
  109    H    HIS  15           H        HIS  15  -7.042 -10.634  -2.767
  110    HA   HIS  15           HA       HIS  15  -9.588 -10.823  -4.314
  111   1HB   HIS  15          HB2       HIS  15  -9.277 -11.192  -1.309
  112   2HB   HIS  15          HB3       HIS  15 -10.765 -11.335  -2.241
  113    HD1  HIS  15           HD1      HIS  15 -10.543 -13.468  -4.231
  114    HD2  HIS  15           HD2      HIS  15  -8.032 -13.426  -0.855
  115    HE1  HIS  15           HE1      HIS  15  -9.565 -15.813  -4.025
  116    H    VAL  16           H        VAL  16  -7.428  -8.690  -3.745
  117    HA   VAL  16           HA       VAL  16  -9.284  -6.497  -3.001
  118    HB   VAL  16           HB       VAL  16  -7.140  -5.346  -2.167
  119   1HG1  VAL  16          HG11      VAL  16  -7.406  -6.265   0.075
  120   2HG1  VAL  16          HG12      VAL  16  -8.974  -6.071  -0.725
  121   3HG1  VAL  16          HG13      VAL  16  -8.254  -7.687  -0.590
  122   1HG2  VAL  16          HG21      VAL  16  -6.115  -8.217  -1.936
  123   2HG2  VAL  16          HG22      VAL  16  -5.446  -6.952  -2.993
  124   3HG2  VAL  16          HG23      VAL  16  -5.380  -6.794  -1.229
  125    H    LYS  17           H        LYS  17  -8.723  -4.449  -4.002
  126    HA   LYS  17           HA       LYS  17  -7.063  -4.547  -6.416
  127   1HB   LYS  17          HB2       LYS  17  -9.997  -3.668  -6.438
  128   2HB   LYS  17          HB3       LYS  17  -8.886  -3.630  -7.804
  129   1HG   LYS  17          HG2       LYS  17  -8.759  -6.119  -7.757
  130   2HG   LYS  17          HG3       LYS  17  -9.932  -6.154  -6.435
  131   1HD   LYS  17          HD2       LYS  17 -10.423  -5.053  -9.224
  132   2HD   LYS  17          HD3       LYS  17 -10.966  -6.616  -8.634
  133   1HE   LYS  17          HE2       LYS  17 -11.873  -3.899  -7.561
  134   2HE   LYS  17          HE3       LYS  17 -12.761  -4.921  -8.687
  135   1HZ   LYS  17          HZ1       LYS  17 -12.231  -5.493  -5.825
  136   2HZ   LYS  17          HZ2       LYS  17 -13.652  -5.324  -6.585
  137   3HZ   LYS  17          HZ3       LYS  17 -12.758  -6.648  -6.885
  138    H    ALA  18           H        ALA  18  -6.640  -2.205  -7.084
  139    HA   ALA  18           HA       ALA  18  -6.522  -0.318  -4.935
  140   1HB   ALA  18          HB1       ALA  18  -5.077  -0.147  -6.925
  141   2HB   ALA  18          HB2       ALA  18  -6.504   0.140  -7.953
  142   3HB   ALA  18          HB3       ALA  18  -6.043   1.326  -6.716
  143    H    GLY  19           H        GLY  19  -8.027   1.118  -4.174
  144   1HA   GLY  19          HA2       GLY  19  -9.883   2.438  -4.088
  145   2HA   GLY  19          HA3       GLY  19 -10.393   1.885  -5.689
  146    H    ASP  20           H        ASP  20  -9.773  -0.935  -3.934
  147    HA   ASP  20           HA       ASP  20 -12.613  -1.445  -3.494
  148   1HB   ASP  20          HB2       ASP  20 -10.674  -3.030  -4.287
  149   2HB   ASP  20          HB3       ASP  20 -10.377  -3.255  -2.563
  150    H    GLN  21           H        GLN  21 -13.074  -2.610  -1.231
  151    HA   GLN  21           HA       GLN  21 -12.083  -0.872   1.005
  152   1HB   GLN  21          HB2       GLN  21 -14.377  -0.228   0.410
  153   2HB   GLN  21          HB3       GLN  21 -14.869  -1.914   0.358
  154   1HG   GLN  21          HG2       GLN  21 -15.773  -1.079   2.342
  155   2HG   GLN  21          HG3       GLN  21 -14.436  -2.076   2.855
  156   1HE2  GLN  21          HE22      GLN  21 -13.023  -1.095   4.403
  157   2HE2  GLN  21          HE21      GLN  21 -13.007   0.627   4.690
  158    H    ILE  22           H        ILE  22 -11.423  -2.009   2.788
  159    HA   ILE  22           HA       ILE  22 -12.207  -4.861   3.071
  160    HB   ILE  22           HB       ILE  22  -9.981  -5.482   3.757
  161   1HG1  ILE  22          HG12      ILE  22  -9.111  -2.625   3.150
  162   2HG1  ILE  22          HG13      ILE  22  -9.184  -3.389   4.744
  163   1HG2  ILE  22          HG21      ILE  22  -8.881  -5.507   1.634
  164   2HG2  ILE  22          HG22      ILE  22 -10.616  -5.619   1.344
  165   3HG2  ILE  22          HG23      ILE  22  -9.763  -4.081   1.066
  166   1HD1  ILE  22          HD11      ILE  22  -7.316  -4.036   2.458
  167   2HD1  ILE  22          HD12      ILE  22  -6.910  -3.410   4.070
  168   3HD1  ILE  22          HD13      ILE  22  -7.477  -5.076   3.886
  169    H    GLU  23           H        GLU  23 -11.688  -5.655   5.299
  170    HA   GLU  23           HA       GLU  23 -12.200  -3.628   7.355
  171   1HB   GLU  23          HB2       GLU  23 -14.397  -4.365   6.358
  172   2HB   GLU  23          HB3       GLU  23 -14.000  -6.032   6.807
  173   1HG   GLU  23          HG2       GLU  23 -13.861  -5.341   9.186
  174   2HG   GLU  23          HG3       GLU  23 -14.196  -3.670   8.716
  175    H    LYS  24           H        LYS  24 -11.284  -4.392   9.312
  176    HA   LYS  24           HA       LYS  24  -9.139  -6.130   9.154
  177   1HB   LYS  24          HB2       LYS  24  -9.562  -4.420  10.899
  178   2HB   LYS  24          HB3       LYS  24 -10.783  -5.458  11.636
  179   1HG   LYS  24          HG2       LYS  24  -9.086  -7.158  12.148
  180   2HG   LYS  24          HG3       LYS  24  -7.865  -6.257  11.234
  181   1HD   LYS  24          HD2       LYS  24  -8.170  -4.327  12.829
  182   2HD   LYS  24          HD3       LYS  24  -9.243  -5.335  13.803
  183   1HE   LYS  24          HE2       LYS  24  -6.320  -5.943  13.142
  184   2HE   LYS  24          HE3       LYS  24  -6.877  -5.190  14.633
  185   1HZ   LYS  24          HZ1       LYS  24  -6.541  -7.537  14.953
  186   2HZ   LYS  24          HZ2       LYS  24  -8.126  -7.217  15.127
  187   3HZ   LYS  24          HZ3       LYS  24  -7.574  -7.936  13.762
  188    H    GLY  25           H        GLY  25  -8.910  -8.275   8.981
  189   1HA   GLY  25          HA2       GLY  25  -9.276 -10.513   9.495
  190   2HA   GLY  25          HA3       GLY  25 -10.853 -10.135  10.178
  191    H    GLN  26           H        GLN  26 -10.862  -8.612   7.137
  192    HA   GLN  26           HA       GLN  26 -12.440 -10.763   5.936
  193   1HB   GLN  26          HB2       GLN  26 -12.811  -8.152   5.891
  194   2HB   GLN  26          HB3       GLN  26 -11.613  -8.161   4.599
  195   1HG   GLN  26          HG2       GLN  26 -14.298  -9.626   4.683
  196   2HG   GLN  26          HG3       GLN  26 -13.948  -8.152   3.781
  197   1HE2  GLN  26          HE22      GLN  26 -12.117  -8.349   2.082
  198   2HE2  GLN  26          HE21      GLN  26 -11.779  -9.921   1.398
  199    H    GLU  27           H        GLU  27 -11.726 -11.873   4.020
  200    HA   GLU  27           HA       GLU  27  -8.883 -12.485   3.953
  201   1HB   GLU  27          HB2       GLU  27 -10.687 -14.164   3.731
  202   2HB   GLU  27          HB3       GLU  27 -11.194 -13.426   2.209
  203   1HG   GLU  27          HG2       GLU  27  -9.013 -13.994   1.191
  204   2HG   GLU  27          HG3       GLU  27  -8.436 -14.621   2.738
  205    H    VAL  28           H        VAL  28  -7.384 -11.430   2.783
  206    HA   VAL  28           HA       VAL  28  -8.258  -9.806   0.450
  207    HB   VAL  28           HB       VAL  28  -6.296  -8.388   0.962
  208   1HG1  VAL  28          HG11      VAL  28  -7.339  -7.171   2.769
  209   2HG1  VAL  28          HG12      VAL  28  -8.631  -7.869   1.770
  210   3HG1  VAL  28          HG13      VAL  28  -8.221  -8.612   3.316
  211   1HG2  VAL  28          HG21      VAL  28  -6.153  -9.861   3.628
  212   2HG2  VAL  28          HG22      VAL  28  -4.942  -9.997   2.332
  213   3HG2  VAL  28          HG23      VAL  28  -5.210  -8.446   3.142
  214    H    ALA  29           H        ALA  29  -6.054 -12.405   1.539
  215    HA   ALA  29           HA       ALA  29  -5.649 -13.044  -1.250
  216   1HB   ALA  29          HB1       ALA  29  -3.222 -12.304   0.463
  217   2HB   ALA  29          HB2       ALA  29  -3.182 -13.035  -1.153
  218   3HB   ALA  29          HB3       ALA  29  -3.814 -11.401  -0.946
  219    H    ILE  30           H        ILE  30  -4.090 -15.070  -1.263
  220    HA   ILE  30           HA       ILE  30  -4.209 -16.594   1.279
  221    HB   ILE  30           HB       ILE  30  -4.968 -17.845  -1.394
  222   1HG1  ILE  30          HG12      ILE  30  -6.792 -17.139   0.952
  223   2HG1  ILE  30          HG13      ILE  30  -6.811 -16.408  -0.655
  224   1HG2  ILE  30          HG21      ILE  30  -3.814 -19.384   0.150
  225   2HG2  ILE  30          HG22      ILE  30  -4.945 -18.965   1.452
  226   3HG2  ILE  30          HG23      ILE  30  -5.483 -19.846   0.000
  227   1HD1  ILE  30          HD11      ILE  30  -7.301 -18.730  -1.594
  228   2HD1  ILE  30          HD12      ILE  30  -7.649 -19.219   0.081
  229   3HD1  ILE  30          HD13      ILE  30  -8.599 -17.930  -0.674
  230    H    LEU  31           H        LEU  31  -2.409 -17.860   1.570
  231    HA   LEU  31           HA       LEU  31  -0.219 -17.707  -0.445
  232   1HB   LEU  31          HB2       LEU  31  -0.347 -18.387   2.510
  233   2HB   LEU  31          HB3       LEU  31   1.052 -18.798   1.537
  234    HG   LEU  31           HG       LEU  31   0.014 -15.988   2.042
  235   1HD1  LEU  31          HD11      LEU  31   2.540 -17.470   2.941
  236   2HD1  LEU  31          HD12      LEU  31   2.094 -15.818   3.394
  237   3HD1  LEU  31          HD13      LEU  31   1.122 -17.175   3.965
  238   1HD2  LEU  31          HD21      LEU  31   1.026 -15.975  -0.163
  239   2HD2  LEU  31          HD22      LEU  31   2.170 -15.289   0.984
  240   3HD2  LEU  31          HD23      LEU  31   2.397 -16.957   0.410
  241    H    GLU  32           H        GLU  32   0.242 -19.388  -1.497
  242    HA   GLU  32           HA       GLU  32  -0.150 -22.127  -0.467
  243   1HB   GLU  32          HB2       GLU  32  -0.437 -22.054  -2.872
  244   2HB   GLU  32          HB3       GLU  32   0.918 -20.954  -3.084
  245   1HG   GLU  32          HG2       GLU  32   1.602 -23.591  -1.825
  246   2HG   GLU  32          HG3       GLU  32   1.001 -23.661  -3.469
  247    H    SER  33           H        SER  33   1.604 -22.874   0.637
  248    HA   SER  33           HA       SER  33   4.179 -21.378   0.483
  249   1HB   SER  33          HB2       SER  33   2.456 -22.053   2.853
  250   2HB   SER  33          HB3       SER  33   4.218 -22.008   3.025
  251    HG   SER  33           HG       SER  33   4.237 -19.902   2.461
  252    H    MET  34           H        MET  34   4.611 -23.032  -1.064
  253    HA   MET  34           HA       MET  34   5.513 -24.979  -1.739
  254   1HB   MET  34          HB2       MET  34   6.694 -25.058   1.072
  255   2HB   MET  34          HB3       MET  34   7.281 -25.922  -0.351
  256   1HG   MET  34          HG2       MET  34   8.709 -24.106  -0.221
  257   2HG   MET  34          HG3       MET  34   7.565 -23.639  -1.473
  258   1HE   MET  34          HE1       MET  34   8.392 -20.142  -0.023
  259   2HE   MET  34          HE2       MET  34   9.484 -21.497  -0.388
  260   3HE   MET  34          HE3       MET  34   8.136 -21.117  -1.486
  261    H    LYS  35           H        BTL  35   2.946 -25.226  -1.159
  262    HA   LYS  35           HA       BTL  35   1.419 -26.756  -1.388
  263   1HB   LYS  35          HB2       BTL  35   3.185 -28.919  -0.194
  264   2HB   LYS  35          HB3       BTL  35   1.626 -29.128  -0.981
  265   1HG   LYS  35          HG2       BTL  35   2.547 -28.160  -3.083
  266   2HG   LYS  35          HG3       BTL  35   4.152 -28.096  -2.337
  267   1HD   LYS  35          HD2       BTL  35   4.043 -30.557  -1.943
  268   2HD   LYS  35          HD3       BTL  35   2.476 -30.603  -2.782
  269   1HE   LYS  35          HE2       BTL  35   5.041 -29.582  -4.079
  270   2HE   LYS  35          HE3       BTL  35   4.493 -31.264  -4.171
  271   1HZ   LYS  35          HZ1       BTL  35   2.469 -30.544  -5.258
  272    H    MET  36           H        MET  36   2.295 -25.283   1.311
  273    HA   MET  36           HA       MET  36   0.131 -26.453   2.993
  274   1HB   MET  36          HB2       MET  36   2.207 -24.314   3.623
  275   2HB   MET  36          HB3       MET  36   0.999 -24.955   4.735
  276   1HG   MET  36          HG2       MET  36   1.987 -27.204   4.560
  277   2HG   MET  36          HG3       MET  36   3.222 -26.599   3.457
  278   1HE   MET  36          HE1       MET  36   5.569 -24.475   5.662
  279   2HE   MET  36          HE2       MET  36   5.291 -25.243   4.083
  280   3HE   MET  36          HE3       MET  36   4.267 -23.888   4.606
  281    H    GLU  37           H        GLU  37  -1.319 -24.689   3.964
  282    HA   GLU  37           HA       GLU  37  -2.004 -22.652   1.904
  283   1HB   GLU  37          HB2       GLU  37  -4.372 -23.342   2.249
  284   2HB   GLU  37          HB3       GLU  37  -3.359 -24.534   1.427
  285   1HG   GLU  37          HG2       GLU  37  -3.210 -25.842   3.552
  286   2HG   GLU  37          HG3       GLU  37  -4.278 -24.672   4.330
  287    H    ILE  38           H        ILE  38  -2.242 -20.655   2.777
  288    HA   ILE  38           HA       ILE  38  -3.107 -20.439   5.618
  289    HB   ILE  38           HB       ILE  38  -0.763 -18.839   4.548
  290   1HG1  ILE  38          HG12      ILE  38   0.469 -20.273   6.425
  291   2HG1  ILE  38          HG13      ILE  38  -0.714 -21.495   5.993
  292   1HG2  ILE  38          HG21      ILE  38  -0.446 -18.249   6.887
  293   2HG2  ILE  38          HG22      ILE  38  -2.066 -17.802   6.361
  294   3HG2  ILE  38          HG23      ILE  38  -1.833 -19.257   7.359
  295   1HD1  ILE  38          HD11      ILE  38   0.125 -21.375   3.620
  296   2HD1  ILE  38          HD12      ILE  38   1.248 -20.100   4.135
  297   3HD1  ILE  38          HD13      ILE  38   1.406 -21.744   4.790
  298    HA   PRO  39           HA       PRO  39  -5.698 -17.365   3.373
  299   1HB   PRO  39          HB2       PRO  39  -6.666 -16.975   6.204
  300   2HB   PRO  39          HB3       PRO  39  -7.619 -17.147   4.704
  301   1HG   PRO  39          HG2       PRO  39  -7.415 -19.217   6.469
  302   2HG   PRO  39          HG3       PRO  39  -7.370 -19.511   4.700
  303   1HD   PRO  39          HD2       PRO  39  -5.044 -19.360   6.633
  304   2HD   PRO  39          HD3       PRO  39  -5.341 -20.524   5.303
  305    H    ILE  40           H        ILE  40  -5.325 -15.101   3.247
  306    HA   ILE  40           HA       ILE  40  -3.738 -13.852   5.438
  307    HB   ILE  40           HB       ILE  40  -3.616 -13.116   2.505
  308   1HG1  ILE  40          HG12      ILE  40  -2.687 -15.366   2.672
  309   2HG1  ILE  40          HG13      ILE  40  -1.449 -14.188   2.320
  310   1HG2  ILE  40          HG21      ILE  40  -1.537 -11.926   3.217
  311   2HG2  ILE  40          HG22      ILE  40  -3.002 -11.292   3.983
  312   3HG2  ILE  40          HG23      ILE  40  -1.902 -12.339   4.903
  313   1HD1  ILE  40          HD11      ILE  40  -0.996 -16.077   4.077
  314   2HD1  ILE  40          HD12      ILE  40  -0.424 -14.425   4.426
  315   3HD1  ILE  40          HD13      ILE  40  -1.884 -15.063   5.201
  316    H    VAL  41           H        VAL  41  -4.921 -12.461   6.473
  317    HA   VAL  41           HA       VAL  41  -7.364 -11.348   5.215
  318    HB   VAL  41           HB       VAL  41  -8.186 -11.352   7.637
  319   1HG1  VAL  41          HG11      VAL  41  -7.794 -13.978   6.128
  320   2HG1  VAL  41          HG12      VAL  41  -8.872 -13.779   7.527
  321   3HG1  VAL  41          HG13      VAL  41  -9.185 -12.869   6.063
  322   1HG2  VAL  41          HG21      VAL  41  -7.278 -12.975   9.185
  323   2HG2  VAL  41          HG22      VAL  41  -6.126 -13.592   7.993
  324   3HG2  VAL  41          HG23      VAL  41  -5.925 -11.952   8.682
  325    H    ALA  42           H        ALA  42  -8.010  -9.264   5.917
  326    HA   ALA  42           HA       ALA  42  -5.938  -7.388   5.734
  327   1HB   ALA  42          HB1       ALA  42  -7.724  -5.731   6.181
  328   2HB   ALA  42          HB2       ALA  42  -8.306  -6.985   5.064
  329   3HB   ALA  42          HB3       ALA  42  -8.776  -7.025   6.770
  330    H    ASP  43           H        ASP  43  -4.491  -6.814   7.230
  331    HA   ASP  43           HA       ASP  43  -4.635  -7.340  10.021
  332   1HB   ASP  43          HB2       ASP  43  -2.528  -6.943   8.828
  333   2HB   ASP  43          HB3       ASP  43  -3.007  -5.280   8.481
  334    H    ARG  44           H        ARG  44  -5.922  -4.667   8.112
  335    HA   ARG  44           HA       ARG  44  -7.373  -3.606  10.373
  336   1HB   ARG  44          HB2       ARG  44  -6.495  -1.252   9.987
  337   2HB   ARG  44          HB3       ARG  44  -5.429  -2.361  10.845
  338   1HG   ARG  44          HG2       ARG  44  -4.148  -2.747   8.718
  339   2HG   ARG  44          HG3       ARG  44  -5.154  -1.535   7.918
  340   1HD   ARG  44          HD2       ARG  44  -3.576  -0.951  10.465
  341   2HD   ARG  44          HD3       ARG  44  -2.832  -0.879   8.875
  342    HE   ARG  44           HE       ARG  44  -4.101   0.967   8.244
  343   1HH1  ARG  44          HH21      ARG  44  -4.861   0.113  11.620
  344   2HH1  ARG  44          HH22      ARG  44  -5.559   1.650  11.969
  345   1HH2  ARG  44          HH11      ARG  44  -4.932   2.920   8.696
  346   2HH2  ARG  44          HH12      ARG  44  -5.615   3.321  10.248
  347    H    SER  45           H        SER  45  -9.087  -2.219   9.657
  348    HA   SER  45           HA       SER  45 -10.121  -2.723   7.049
  349   1HB   SER  45          HB2       SER  45 -10.859  -0.561   9.071
  350   2HB   SER  45          HB3       SER  45 -11.912  -1.248   7.818
  351    HG   SER  45           HG       SER  45 -12.185  -2.098  10.003
  352    H    GLY  46           H        GLY  46 -10.564  -1.093   5.352
  353   1HA   GLY  46          HA2       GLY  46 -10.083   1.577   5.414
  354   2HA   GLY  46          HA3       GLY  46  -8.478   0.942   5.033
  355    H    ILE  47           H        ILE  47  -9.359   2.546   3.200
  356    HA   ILE  47           HA       ILE  47 -10.561   0.994   0.974
  357    HB   ILE  47           HB       ILE  47  -9.593   3.873   1.248
  358   1HG1  ILE  47          HG12      ILE  47 -11.812   3.400   2.271
  359   2HG1  ILE  47          HG13      ILE  47 -11.868   4.557   0.953
  360   1HG2  ILE  47          HG21      ILE  47 -10.586   2.456  -1.255
  361   2HG2  ILE  47          HG22      ILE  47 -10.491   4.224  -1.077
  362   3HG2  ILE  47          HG23      ILE  47  -9.023   3.250  -0.999
  363   1HD1  ILE  47          HD11      ILE  47 -13.774   3.007   0.882
  364   2HD1  ILE  47          HD12      ILE  47 -12.787   2.842  -0.572
  365   3HD1  ILE  47          HD13      ILE  47 -12.675   1.624   0.720
  366    H    VAL  48           H        VAL  48  -9.215   0.043  -0.520
  367    HA   VAL  48           HA       VAL  48  -6.373  -0.162   0.057
  368    HB   VAL  48           HB       VAL  48  -8.016  -1.062  -2.329
  369   1HG1  VAL  48          HG11      VAL  48  -6.117  -2.681  -2.672
  370   2HG1  VAL  48          HG12      VAL  48  -5.623  -1.005  -2.888
  371   3HG1  VAL  48          HG13      VAL  48  -5.216  -1.844  -1.382
  372   1HG2  VAL  48          HG21      VAL  48  -7.961  -3.314  -1.294
  373   2HG2  VAL  48          HG22      VAL  48  -7.202  -2.620   0.160
  374   3HG2  VAL  48          HG23      VAL  48  -8.854  -2.162  -0.305
  375    H    LYS  49           H        LYS  49  -4.815   1.187  -0.691
  376    HA   LYS  49           HA       LYS  49  -5.457   3.212  -2.764
  377   1HB   LYS  49          HB2       LYS  49  -4.276   3.988  -0.741
  378   2HB   LYS  49          HB3       LYS  49  -3.005   2.785  -0.990
  379   1HG   LYS  49          HG2       LYS  49  -2.406   3.874  -3.143
  380   2HG   LYS  49          HG3       LYS  49  -3.675   5.088  -2.878
  381   1HD   LYS  49          HD2       LYS  49  -2.566   5.861  -0.846
  382   2HD   LYS  49          HD3       LYS  49  -1.370   4.564  -0.951
  383   1HE   LYS  49          HE2       LYS  49  -1.709   6.757  -3.041
  384   2HE   LYS  49          HE3       LYS  49  -0.555   6.816  -1.700
  385   1HZ   LYS  49          HZ1       LYS  49   0.390   4.709  -2.578
  386   2HZ   LYS  49          HZ2       LYS  49  -0.534   4.877  -3.925
  387   3HZ   LYS  49          HZ3       LYS  49   0.594   6.003  -3.576
  388    H    GLU  50           H        GLU  50  -3.120   0.470  -2.030
  389    HA   GLU  50           HA       GLU  50  -2.851   0.058  -4.946
  390   1HB   GLU  50          HB2       GLU  50  -1.145   1.821  -3.842
  391   2HB   GLU  50          HB3       GLU  50  -0.337   0.361  -3.278
  392   1HG   GLU  50          HG2       GLU  50  -0.168  -0.441  -5.613
  393   2HG   GLU  50          HG3       GLU  50  -1.058   0.989  -6.164
  394    H    VAL  51           H        VAL  51  -2.164  -2.067  -5.435
  395    HA   VAL  51           HA       VAL  51  -1.896  -3.944  -3.133
  396    HB   VAL  51           HB       VAL  51  -2.498  -4.715  -6.009
  397   1HG1  VAL  51          HG11      VAL  51  -3.272  -6.795  -4.995
  398   2HG1  VAL  51          HG12      VAL  51  -1.639  -6.461  -4.410
  399   3HG1  VAL  51          HG13      VAL  51  -3.026  -6.147  -3.361
  400   1HG2  VAL  51          HG21      VAL  51  -4.555  -4.164  -3.827
  401   2HG2  VAL  51          HG22      VAL  51  -4.398  -3.307  -5.375
  402   3HG2  VAL  51          HG23      VAL  51  -4.880  -5.005  -5.355
  403    H    LYS  52           H        LYS  52   0.148  -4.698  -2.801
  404    HA   LYS  52           HA       LYS  52   2.221  -3.590  -4.573
  405   1HB   LYS  52          HB2       LYS  52   2.522  -5.019  -1.908
  406   2HB   LYS  52          HB3       LYS  52   3.688  -3.974  -2.702
  407   1HG   LYS  52          HG2       LYS  52   1.021  -3.108  -1.499
  408   2HG   LYS  52          HG3       LYS  52   2.598  -2.843  -0.795
  409   1HD   LYS  52          HD2       LYS  52   1.741  -1.641  -3.471
  410   2HD   LYS  52          HD3       LYS  52   1.519  -0.866  -1.914
  411   1HE   LYS  52          HE2       LYS  52   4.038  -1.157  -1.523
  412   2HE   LYS  52          HE3       LYS  52   4.150  -1.573  -3.244
  413   1HZ   LYS  52          HZ1       LYS  52   3.145   0.974  -2.091
  414   2HZ   LYS  52          HZ2       LYS  52   4.535   0.767  -2.943
  415   3HZ   LYS  52          HZ3       LYS  52   3.080   0.605  -3.698
  416    H    LYS  53           H        LYS  53   0.552  -6.405  -4.659
  417    HA   LYS  53           HA       LYS  53   2.656  -7.944  -6.002
  418   1HB   LYS  53          HB2       LYS  53   1.001  -8.975  -3.643
  419   2HB   LYS  53          HB3       LYS  53   1.921 -10.026  -4.730
  420   1HG   LYS  53          HG2       LYS  53   3.205  -7.865  -3.016
  421   2HG   LYS  53          HG3       LYS  53   3.027  -9.552  -2.553
  422   1HD   LYS  53          HD2       LYS  53   4.328 -10.282  -4.504
  423   2HD   LYS  53          HD3       LYS  53   4.538  -8.591  -5.032
  424   1HE   LYS  53          HE2       LYS  53   5.834  -8.041  -3.120
  425   2HE   LYS  53          HE3       LYS  53   5.346  -9.512  -2.280
  426   1HZ   LYS  53          HZ1       LYS  53   6.588 -10.783  -3.988
  427   2HZ   LYS  53          HZ2       LYS  53   7.216  -9.359  -4.554
  428   3HZ   LYS  53          HZ3       LYS  53   7.484  -9.858  -2.993
  429    H    LYS  54           H        LYS  54   1.336 -10.099  -6.762
  430    HA   LYS  54           HA       LYS  54  -1.428  -9.409  -7.482
  431   1HB   LYS  54          HB2       LYS  54  -1.097 -10.025  -9.829
  432   2HB   LYS  54          HB3       LYS  54  -0.133  -8.611  -9.408
  433   1HG   LYS  54          HG2       LYS  54   1.902 -10.024  -9.249
  434   2HG   LYS  54          HG3       LYS  54   0.941 -11.467  -9.628
  435   1HD   LYS  54          HD2       LYS  54   0.344 -10.493 -11.828
  436   2HD   LYS  54          HD3       LYS  54   1.312  -9.049 -11.449
  437   1HE   LYS  54          HE2       LYS  54   3.338 -10.474 -11.223
  438   2HE   LYS  54          HE3       LYS  54   2.375 -11.909 -11.599
  439   1HZ   LYS  54          HZ1       LYS  54   3.542 -11.093 -13.545
  440   2HZ   LYS  54          HZ2       LYS  54   1.938 -10.959 -13.791
  441   3HZ   LYS  54          HZ3       LYS  54   2.829  -9.632 -13.443
  442    H    GLU  55           H        GLU  55  -2.602 -11.324  -8.176
  443    HA   GLU  55           HA       GLU  55  -2.217 -13.699  -6.769
  444   1HB   GLU  55          HB2       GLU  55  -4.273 -12.911  -7.822
  445   2HB   GLU  55          HB3       GLU  55  -3.600 -13.137  -9.436
  446   1HG   GLU  55          HG2       GLU  55  -3.626 -15.513  -9.240
  447   2HG   GLU  55          HG3       GLU  55  -3.794 -15.447  -7.498
  448    H    GLY  56           H        GLY  56  -0.621 -15.096  -6.838
  449   1HA   GLY  56          HA2       GLY  56   0.578 -16.828  -7.843
  450   2HA   GLY  56          HA3       GLY  56   0.530 -16.006  -9.405
  451    H    ASP  57           H        ASP  57   1.438 -13.578  -7.212
  452    HA   ASP  57           HA       ASP  57   4.162 -13.662  -8.160
  453   1HB   ASP  57          HB2       ASP  57   2.690 -11.598  -7.420
  454   2HB   ASP  57          HB3       ASP  57   3.289 -11.970  -5.818
  455    H    PHE  58           H        PHE  58   6.045 -13.598  -6.668
  456    HA   PHE  58           HA       PHE  58   5.959 -15.776  -4.645
  457   1HB   PHE  58          HB2       PHE  58   7.817 -15.758  -6.277
  458   2HB   PHE  58          HB3       PHE  58   8.249 -14.123  -5.791
  459    HD1  PHE  58           HD1      PHE  58   9.704 -13.747  -3.918
  460    HD2  PHE  58           HD2      PHE  58   7.932 -17.639  -4.506
  461    HE1  PHE  58           HE1      PHE  58  11.143 -14.679  -2.124
  462    HE2  PHE  58           HE2      PHE  58   9.373 -18.563  -2.712
  463    HZ   PHE  58           HZ       PHE  58  10.992 -17.089  -1.528
  464    H    VAL  59           H        VAL  59   6.342 -15.314  -2.436
  465    HA   VAL  59           HA       VAL  59   6.575 -12.509  -1.568
  466    HB   VAL  59           HB       VAL  59   4.520 -12.928  -0.111
  467   1HG1  VAL  59          HG11      VAL  59   2.962 -12.052  -1.720
  468   2HG1  VAL  59          HG12      VAL  59   4.558 -11.327  -1.941
  469   3HG1  VAL  59          HG13      VAL  59   3.975 -12.577  -3.074
  470   1HG2  VAL  59          HG21      VAL  59   3.839 -14.981  -2.267
  471   2HG2  VAL  59          HG22      VAL  59   4.184 -15.341  -0.559
  472   3HG2  VAL  59          HG23      VAL  59   2.758 -14.381  -1.014
  473    H    ASN  60           H        ASN  60   6.772 -12.378   0.852
  474    HA   ASN  60           HA       ASN  60   7.607 -14.835   2.140
  475   1HB   ASN  60          HB2       ASN  60   9.560 -13.242   0.743
  476   2HB   ASN  60          HB3       ASN  60   9.814 -12.974   2.460
  477   1HD2  ASN  60          HD22      ASN  60   9.046 -15.723   0.204
  478   2HD2  ASN  60          HD21      ASN  60  10.175 -16.837   0.946
  479    H    GLU  61           H        GLU  61   8.506 -14.365   4.389
  480    HA   GLU  61           HA       GLU  61   6.541 -12.934   5.855
  481   1HB   GLU  61          HB2       GLU  61   7.918 -14.811   6.722
  482   2HB   GLU  61          HB3       GLU  61   9.358 -13.788   6.656
  483   1HG   GLU  61          HG2       GLU  61   8.238 -12.207   8.274
  484   2HG   GLU  61          HG3       GLU  61   6.876 -13.320   8.364
  485    H    GLY  62           H        GLY  62   6.250 -10.782   5.949
  486   1HA   GLY  62          HA2       GLY  62   6.757  -8.611   6.485
  487   2HA   GLY  62          HA3       GLY  62   8.490  -8.958   6.415
  488    H    ASP  63           H        ASP  63   6.974 -10.155   3.545
  489    HA   ASP  63           HA       ASP  63   8.036  -7.935   1.950
  490   1HB   ASP  63          HB2       ASP  63   8.184 -10.411   1.350
  491   2HB   ASP  63          HB3       ASP  63   6.440 -10.372   1.070
  492    H    VAL  64           H        VAL  64   6.624  -6.526   0.769
  493    HA   VAL  64           HA       VAL  64   4.283  -5.785   2.291
  494    HB   VAL  64           HB       VAL  64   4.078  -4.031   0.476
  495   1HG1  VAL  64          HG11      VAL  64   5.949  -2.716   1.315
  496   2HG1  VAL  64          HG12      VAL  64   5.177  -3.624   2.625
  497   3HG1  VAL  64          HG13      VAL  64   6.728  -4.182   1.957
  498   1HG2  VAL  64          HG21      VAL  64   5.316  -5.266  -1.341
  499   2HG2  VAL  64          HG22      VAL  64   5.900  -3.619  -1.050
  500   3HG2  VAL  64          HG23      VAL  64   6.821  -5.003  -0.438
  501    H    LEU  65           H        LEU  65   2.111  -5.641   1.607
  502    HA   LEU  65           HA       LEU  65   1.351  -7.411  -0.688
  503   1HB   LEU  65          HB2       LEU  65   1.011  -8.567   1.493
  504   2HB   LEU  65          HB3       LEU  65   0.084  -7.202   2.077
  505    HG   LEU  65           HG       LEU  65  -1.665  -7.623   0.358
  506   1HD1  LEU  65          HD11      LEU  65  -0.335  -8.746  -1.388
  507   2HD1  LEU  65          HD12      LEU  65  -0.032 -10.115  -0.292
  508   3HD1  LEU  65          HD13      LEU  65  -1.677  -9.761  -0.862
  509   1HD2  LEU  65          HD21      LEU  65  -1.887  -8.544   2.605
  510   2HD2  LEU  65          HD22      LEU  65  -2.545  -9.674   1.414
  511   3HD2  LEU  65          HD23      LEU  65  -0.947  -9.977   2.136
  512    H    LEU  66           H        LEU  66   0.280  -4.682   1.505
  513    HA   LEU  66           HA       LEU  66  -1.427  -3.685  -0.682
  514   1HB   LEU  66          HB2       LEU  66  -2.471  -5.523   1.011
  515   2HB   LEU  66          HB3       LEU  66  -2.560  -4.137   2.086
  516    HG   LEU  66           HG       LEU  66  -4.068  -2.988   0.545
  517   1HD1  LEU  66          HD11      LEU  66  -3.422  -3.671  -1.636
  518   2HD1  LEU  66          HD12      LEU  66  -3.534  -5.397  -1.231
  519   3HD1  LEU  66          HD13      LEU  66  -5.000  -4.396  -1.399
  520   1HD2  LEU  66          HD21      LEU  66  -4.948  -4.619   2.224
  521   2HD2  LEU  66          HD22      LEU  66  -5.956  -4.560   0.764
  522   3HD2  LEU  66          HD23      LEU  66  -4.839  -5.914   1.020
  523    H    GLU  67           H        GLU  67  -1.979  -1.533  -0.405
  524    HA   GLU  67           HA       GLU  67  -0.857  -0.027   1.905
  525   1HB   GLU  67          HB2       GLU  67   0.572  -0.041  -0.153
  526   2HB   GLU  67          HB3       GLU  67  -0.772   0.635  -1.074
  527   1HG   GLU  67          HG2       GLU  67  -0.670   2.684   0.280
  528   2HG   GLU  67          HG3       GLU  67   0.638   1.991   1.258
  529    H    LEU  68           H        LEU  68  -2.336   1.421   2.713
  530    HA   LEU  68           HA       LEU  68  -5.025   1.371   1.392
  531   1HB   LEU  68          HB2       LEU  68  -4.448   1.450   4.360
  532   2HB   LEU  68          HB3       LEU  68  -5.997   1.258   3.571
  533    HG   LEU  68           HG       LEU  68  -3.764  -0.799   3.608
  534   1HD1  LEU  68          HD11      LEU  68  -6.500  -0.907   4.934
  535   2HD1  LEU  68          HD12      LEU  68  -5.172  -2.085   5.080
  536   3HD1  LEU  68          HD13      LEU  68  -5.006  -0.461   5.768
  537   1HD2  LEU  68          HD21      LEU  68  -5.412  -2.336   2.604
  538   2HD2  LEU  68          HD22      LEU  68  -6.553  -0.986   2.396
  539   3HD2  LEU  68          HD23      LEU  68  -5.001  -1.019   1.521
  540    H    SER  69           H        SER  69  -6.109   3.310   1.247
  541    HA   SER  69           HA       SER  69  -4.625   5.680   1.231
  542   1HB   SER  69          HB2       SER  69  -7.645   5.402   1.455
  543   2HB   SER  69          HB3       SER  69  -6.738   6.727   0.695
  544    HG   SER  69           HG       SER  69  -7.466   5.303  -0.888
  545    H    ASN  70           H        ASN  70  -6.868   4.415   3.715
  546    HA   ASN  70           HA       ASN  70  -6.788   6.714   5.430
  547   1HB   ASN  70          HB2       ASN  70  -7.909   5.376   7.037
  548   2HB   ASN  70          HB3       ASN  70  -8.589   4.952   5.473
  549   1HD2  ASN  70          HD22      ASN  70  -8.782   3.292   7.838
  550   2HD2  ASN  70          HD21      ASN  70  -7.960   1.795   7.441
  551    H    SER  71           H        SER  71  -4.355   4.441   4.738
  552    HA   SER  71           HA       SER  71  -2.960   4.897   7.331
  553   1HB   SER  71          HB2       SER  71  -2.705   2.539   5.436
  554   2HB   SER  71          HB3       SER  71  -2.041   2.692   7.071
  555    HG   SER  71           HG       SER  71  -4.805   2.544   6.323
  556    H    THR  72           H        THR  72  -3.020   5.993   4.241
  557    HA   THR  72           HA       THR  72  -0.111   6.531   4.132
  558    HB   THR  72           HB       THR  72  -1.723   5.874   1.643
  559    HG1  THR  72           HG1      THR  72  -1.892   4.048   2.841
  560   1HG2  THR  72          HG21      THR  72   0.511   6.925   1.319
  561   2HG2  THR  72          HG22      THR  72   1.256   5.648   2.302
  562   3HG2  THR  72          HG23      THR  72   0.502   5.253   0.742
  563    H    GLN  73           H        GLN  73  -2.221   8.067   5.253
  564    HA   GLN  73           HA       GLN  73  -3.451   9.931   3.503
  565   1HB   GLN  73          HB2       GLN  73  -2.744  10.184   6.463
  566   2HB   GLN  73          HB3       GLN  73  -3.824  11.254   5.567
  567   1HG   GLN  73          HG2       GLN  73  -5.357   9.341   5.115
  568   2HG   GLN  73          HG3       GLN  73  -4.275   8.269   6.005
  569   1HE2  GLN  73          HE22      GLN  73  -5.368   7.724   7.894
  570   2HE2  GLN  73          HE21      GLN  73  -6.094   8.896   8.973
  571    HN3  BTI 135           HN3      BTL  35  -4.550 -25.632  -1.807
  572    HN2  BTI 135           HN2      BTL  35  -2.769 -25.054  -5.363
  573    H4   BTI 135           H4       BTL  35  -1.353 -24.035  -3.514
  574    H2   BTI 135           H2       BTL  35   0.195 -25.832  -3.173
  575    H62  BTI 135           H62      BTL  35  -0.989 -26.267  -0.877
  576    H63  BTI 135           H63      BTL  35  -2.583 -27.059  -0.846
  577    H5   BTI 135           H5       BTL  35  -2.352 -24.421  -1.436
  578    H72  BTI 135           H72      BTL  35  -1.166 -26.759  -5.704
  579    H73  BTI 135           H73      BTL  35  -0.099 -25.338  -5.593
  580    H82  BTI 135           H82      BTL  35   1.738 -26.745  -4.763
  581    H83  BTI 135           H83      BTL  35   0.674 -28.158  -4.771
  582    H92  BTI 135           H92      BTL  35   0.369 -27.639  -7.311
  583    H93  BTI 135           H93      BTL  35   1.785 -26.591  -7.129
  584   H102  BTI 135          H102      BTL  35   1.531 -29.594  -6.878
  585   H103  BTI 135          H103      BTL  35   2.587 -28.683  -7.949
  Start of MODEL    2
    1   1H    THR   2           H1       THR   2   2.500  -1.183   4.116
    2   2H    THR   2           H2       THR   2   1.275  -1.448   3.051
    3   3H    THR   2           H3       THR   2   1.622   0.082   3.530
    4    HA   THR   2           HA       THR   2   1.034  -0.449   5.797
    5    HB   THR   2           HB       THR   2  -1.197  -0.933   3.791
    6    HG1  THR   2           HG1      THR   2  -0.093   1.194   3.720
    7   1HG2  THR   2          HG21      THR   2  -2.681  -0.132   5.604
    8   2HG2  THR   2          HG22      THR   2  -1.934  -1.670   6.015
    9   3HG2  THR   2          HG23      THR   2  -1.311  -0.170   6.736
   10    H    VAL   3           H        VAL   3  -0.614  -3.120   3.883
   11    HA   VAL   3           HA       VAL   3  -0.036  -4.865   6.210
   12    HB   VAL   3           HB       VAL   3  -1.651  -5.832   3.868
   13   1HG1  VAL   3          HG11      VAL   3  -1.878  -6.207   6.870
   14   2HG1  VAL   3          HG12      VAL   3  -2.886  -7.011   5.647
   15   3HG1  VAL   3          HG13      VAL   3  -1.159  -7.361   5.723
   16   1HG2  VAL   3          HG21      VAL   3  -2.767  -3.649   4.284
   17   2HG2  VAL   3          HG22      VAL   3  -3.763  -4.987   4.846
   18   3HG2  VAL   3          HG23      VAL   3  -2.842  -4.022   6.022
   19    H    SER   4           H        SER   4   1.004  -6.926   5.816
   20    HA   SER   4           HA       SER   4   2.625  -7.191   3.354
   21   1HB   SER   4          HB2       SER   4   3.667  -7.169   6.222
   22   2HB   SER   4          HB3       SER   4   4.625  -7.553   4.788
   23    HG   SER   4           HG       SER   4   4.839  -5.357   5.494
   24    H    ILE   5           H        ILE   5   3.474  -9.323   3.134
   25    HA   ILE   5           HA       ILE   5   1.703 -11.453   4.015
   26    HB   ILE   5           HB       ILE   5   4.313 -11.416   2.418
   27   1HG1  ILE   5          HG12      ILE   5   2.354 -12.249   0.672
   28   2HG1  ILE   5          HG13      ILE   5   1.408 -11.164   1.670
   29   1HG2  ILE   5          HG21      ILE   5   4.052 -13.599   3.443
   30   2HG2  ILE   5          HG22      ILE   5   2.350 -13.691   2.881
   31   3HG2  ILE   5          HG23      ILE   5   3.714 -13.727   1.744
   32   1HD1  ILE   5          HD11      ILE   5   3.003  -9.328   1.142
   33   2HD1  ILE   5          HD12      ILE   5   4.009 -10.450   0.223
   34   3HD1  ILE   5          HD13      ILE   5   2.367 -10.056  -0.331
   35    H    GLN   6           H        GLN   6   2.405 -13.232   5.351
   36    HA   GLN   6           HA       GLN   6   4.326 -12.377   7.465
   37   1HB   GLN   6          HB2       GLN   6   2.799 -13.330   9.049
   38   2HB   GLN   6          HB3       GLN   6   1.913 -12.249   7.976
   39   1HG   GLN   6          HG2       GLN   6   1.206 -14.329   6.640
   40   2HG   GLN   6          HG3       GLN   6   1.935 -15.307   7.911
   41   1HE2  GLN   6          HE22      GLN   6  -0.654 -12.991   7.154
   42   2HE2  GLN   6          HE21      GLN   6  -1.664 -13.384   8.527
   43    H    MET   7           H        MET   7   4.198 -14.658   5.019
   44    HA   MET   7           HA       MET   7   6.029 -16.479   6.393
   45   1HB   MET   7          HB2       MET   7   3.918 -17.411   7.096
   46   2HB   MET   7          HB3       MET   7   3.230 -17.261   5.484
   47   1HG   MET   7          HG2       MET   7   3.768 -19.571   6.070
   48   2HG   MET   7          HG3       MET   7   4.606 -19.017   4.636
   49   1HE   MET   7          HE1       MET   7   6.338 -20.868   4.461
   50   2HE   MET   7          HE2       MET   7   7.038 -21.671   5.888
   51   3HE   MET   7          HE3       MET   7   5.269 -21.621   5.646
   52    H    ALA   8           H        ALA   8   7.093 -17.882   4.846
   53    HA   ALA   8           HA       ALA   8   7.604 -16.748   2.249
   54   1HB   ALA   8          HB1       ALA   8   9.334 -17.881   3.545
   55   2HB   ALA   8          HB2       ALA   8   8.386 -19.396   3.519
   56   3HB   ALA   8          HB3       ALA   8   9.045 -18.733   2.010
   57    H    GLY   9           H        GLY   9   6.697 -17.241   0.293
   58   1HA   GLY   9          HA2       GLY   9   5.546 -19.725  -0.391
   59   2HA   GLY   9          HA3       GLY   9   4.265 -18.750   0.327
   60    H    ASN  10           H        ASN  10   3.197 -18.918  -1.645
   61    HA   ASN  10           HA       ASN  10   4.011 -16.944  -3.710
   62   1HB   ASN  10          HB2       ASN  10   2.936 -19.756  -4.208
   63   2HB   ASN  10          HB3       ASN  10   3.104 -18.498  -5.432
   64   1HD2  ASN  10          HD21      ASN  10   4.842 -20.862  -3.449
   65   2HD2  ASN  10          HD22      ASN  10   6.426 -20.567  -4.149
   66    H    LEU  11           H        LEU  11   2.297 -15.645  -4.180
   67    HA   LEU  11           HA       LEU  11   0.114 -15.743  -2.304
   68   1HB   LEU  11          HB2       LEU  11   1.581 -13.751  -3.087
   69   2HB   LEU  11          HB3       LEU  11   0.587 -13.730  -4.521
   70    HG   LEU  11           HG       LEU  11  -1.446 -13.411  -3.023
   71   1HD1  LEU  11          HD11      LEU  11  -0.703 -14.296  -0.885
   72   2HD1  LEU  11          HD12      LEU  11   0.722 -13.232  -0.873
   73   3HD1  LEU  11          HD13      LEU  11  -0.892 -12.554  -0.668
   74   1HD2  LEU  11          HD21      LEU  11  -0.960 -11.052  -2.590
   75   2HD2  LEU  11          HD22      LEU  11   0.787 -11.365  -2.670
   76   3HD2  LEU  11          HD23      LEU  11  -0.226 -11.531  -4.125
   77    H    TRP  12           H        TRP  12  -0.493 -17.833  -3.412
   78    HA   TRP  12           HA       TRP  12  -1.554 -18.607  -5.663
   79   1HB   TRP  12          HB2       TRP  12  -1.533 -19.890  -3.651
   80   2HB   TRP  12          HB3       TRP  12  -2.687 -18.835  -2.866
   81    HD1  TRP  12           HD1      TRP  12  -4.141 -19.790  -6.150
   82    HE1  TRP  12           HE1      TRP  12  -5.860 -21.635  -5.842
   83    HE3  TRP  12           HE3      TRP  12  -2.960 -21.175  -1.376
   84    HZ2  TRP  12           HZ2      TRP  12  -6.806 -23.337  -3.688
   85    HZ3  TRP  12           HZ3      TRP  12  -4.320 -22.860  -0.207
   86    HH2  TRP  12           HH2      TRP  12  -6.251 -23.948  -1.334
   87    H    LYS  13           H        LYS  13  -3.625 -16.512  -3.524
   88    HA   LYS  13           HA       LYS  13  -4.895 -15.532  -5.983
   89   1HB   LYS  13          HB2       LYS  13  -6.527 -16.717  -3.697
   90   2HB   LYS  13          HB3       LYS  13  -7.174 -15.652  -4.956
   91   1HG   LYS  13          HG2       LYS  13  -6.383 -17.290  -6.696
   92   2HG   LYS  13          HG3       LYS  13  -5.993 -18.406  -5.383
   93   1HD   LYS  13          HD2       LYS  13  -8.757 -17.294  -6.013
   94   2HD   LYS  13          HD3       LYS  13  -8.158 -18.905  -6.430
   95   1HE   LYS  13          HE2       LYS  13  -7.808 -19.381  -3.995
   96   2HE   LYS  13          HE3       LYS  13  -8.520 -17.810  -3.605
   97   1HZ   LYS  13          HZ1       LYS  13 -10.158 -19.584  -3.452
   98   2HZ   LYS  13          HZ2       LYS  13 -10.588 -18.579  -4.661
   99   3HZ   LYS  13          HZ3       LYS  13  -9.917 -20.029  -4.998
  100    H    VAL  14           H        VAL  14  -6.143 -13.584  -5.565
  101    HA   VAL  14           HA       VAL  14  -5.447 -12.039  -3.169
  102    HB   VAL  14           HB       VAL  14  -4.847 -11.218  -6.048
  103   1HG1  VAL  14          HG11      VAL  14  -4.647  -9.553  -3.500
  104   2HG1  VAL  14          HG12      VAL  14  -4.033  -9.083  -5.100
  105   3HG1  VAL  14          HG13      VAL  14  -5.765  -9.270  -4.866
  106   1HG2  VAL  14          HG21      VAL  14  -3.061 -11.608  -3.611
  107   2HG2  VAL  14          HG22      VAL  14  -3.036 -12.576  -5.097
  108   3HG2  VAL  14          HG23      VAL  14  -2.522 -10.887  -5.140
  109    H    HIS  15           H        HIS  15  -7.047 -10.608  -2.740
  110    HA   HIS  15           HA       HIS  15  -9.583 -10.776  -4.310
  111   1HB   HIS  15          HB2       HIS  15  -9.304 -11.180  -1.303
  112   2HB   HIS  15          HB3       HIS  15 -10.785 -11.298  -2.252
  113    HD1  HIS  15           HD1      HIS  15 -10.612 -13.400  -4.245
  114    HD2  HIS  15           HD2      HIS  15  -7.965 -13.398  -0.975
  115    HE1  HIS  15           HE1      HIS  15  -9.559 -15.719  -4.163
  116    H    VAL  16           H        VAL  16  -7.426  -8.688  -3.774
  117    HA   VAL  16           HA       VAL  16  -9.232  -6.445  -3.065
  118    HB   VAL  16           HB       VAL  16  -7.062  -5.334  -2.248
  119   1HG1  VAL  16          HG11      VAL  16  -8.179  -7.650  -0.633
  120   2HG1  VAL  16          HG12      VAL  16  -7.340  -6.208   0.003
  121   3HG1  VAL  16          HG13      VAL  16  -8.914  -6.045  -0.797
  122   1HG2  VAL  16          HG21      VAL  16  -5.446  -7.047  -3.106
  123   2HG2  VAL  16          HG22      VAL  16  -5.277  -6.758  -1.373
  124   3HG2  VAL  16          HG23      VAL  16  -6.087  -8.212  -1.930
  125    H    LYS  17           H        LYS  17  -8.631  -4.438  -4.105
  126    HA   LYS  17           HA       LYS  17  -6.612  -4.430  -6.160
  127   1HB   LYS  17          HB2       LYS  17  -8.227  -3.467  -7.866
  128   2HB   LYS  17          HB3       LYS  17  -8.296  -5.218  -7.643
  129   1HG   LYS  17          HG2       LYS  17 -10.310  -5.042  -6.296
  130   2HG   LYS  17          HG3       LYS  17 -10.236  -3.273  -6.320
  131   1HD   LYS  17          HD2       LYS  17 -10.614  -5.021  -8.786
  132   2HD   LYS  17          HD3       LYS  17 -11.923  -4.255  -7.874
  133   1HE   LYS  17          HE2       LYS  17 -10.910  -2.013  -8.316
  134   2HE   LYS  17          HE3       LYS  17  -9.656  -2.784  -9.294
  135   1HZ   LYS  17          HZ1       LYS  17 -12.557  -2.851  -9.890
  136   2HZ   LYS  17          HZ2       LYS  17 -11.447  -1.948 -10.667
  137   3HZ   LYS  17          HZ3       LYS  17 -11.398  -3.571 -10.791
  138    H    ALA  18           H        ALA  18  -6.334  -2.140  -6.908
  139    HA   ALA  18           HA       ALA  18  -6.493  -0.156  -4.915
  140   1HB   ALA  18          HB1       ALA  18  -6.455   0.164  -7.947
  141   2HB   ALA  18          HB2       ALA  18  -6.096   1.433  -6.759
  142   3HB   ALA  18          HB3       ALA  18  -5.031   0.021  -6.886
  143    H    GLY  19           H        GLY  19  -8.099   0.994  -4.129
  144   1HA   GLY  19          HA2       GLY  19  -9.911   2.439  -4.226
  145   2HA   GLY  19          HA3       GLY  19 -10.482   1.683  -5.717
  146    H    ASP  20           H        ASP  20  -9.882  -1.001  -3.850
  147    HA   ASP  20           HA       ASP  20 -12.742  -1.237  -3.294
  148   1HB   ASP  20          HB2       ASP  20 -11.365  -3.051  -4.324
  149   2HB   ASP  20          HB3       ASP  20 -10.495  -3.224  -2.794
  150    H    GLN  21           H        GLN  21 -13.628  -1.900  -1.262
  151    HA   GLN  21           HA       GLN  21 -12.377  -0.659   1.128
  152   1HB   GLN  21          HB2       GLN  21 -14.767  -0.211   0.630
  153   2HB   GLN  21          HB3       GLN  21 -15.088  -1.937   0.562
  154   1HG   GLN  21          HG2       GLN  21 -15.944  -1.200   2.623
  155   2HG   GLN  21          HG3       GLN  21 -14.505  -2.109   3.015
  156   1HE2  GLN  21          HE22      GLN  21 -13.277  -1.104   4.647
  157   2HE2  GLN  21          HE21      GLN  21 -13.265   0.621   4.926
  158    H    ILE  22           H        ILE  22 -11.676  -1.926   2.858
  159    HA   ILE  22           HA       ILE  22 -12.275  -4.814   2.906
  160    HB   ILE  22           HB       ILE  22 -10.013  -5.372   3.612
  161   1HG1  ILE  22          HG12      ILE  22  -9.213  -2.510   2.914
  162   2HG1  ILE  22          HG13      ILE  22  -9.290  -3.203   4.539
  163   1HG2  ILE  22          HG21      ILE  22  -9.916  -3.993   0.906
  164   2HG2  ILE  22          HG22      ILE  22  -8.966  -5.383   1.466
  165   3HG2  ILE  22          HG23      ILE  22 -10.705  -5.554   1.224
  166   1HD1  ILE  22          HD11      ILE  22  -7.570  -4.923   3.780
  167   2HD1  ILE  22          HD12      ILE  22  -7.366  -3.950   2.309
  168   3HD1  ILE  22          HD13      ILE  22  -7.010  -3.254   3.903
  169    H    GLU  23           H        GLU  23 -11.673  -5.708   5.145
  170    HA   GLU  23           HA       GLU  23 -12.416  -3.789   7.252
  171   1HB   GLU  23          HB2       GLU  23 -14.491  -4.669   6.137
  172   2HB   GLU  23          HB3       GLU  23 -13.978  -6.311   6.554
  173   1HG   GLU  23          HG2       GLU  23 -14.008  -5.693   8.960
  174   2HG   GLU  23          HG3       GLU  23 -14.464  -4.041   8.526
  175    H    LYS  24           H        LYS  24 -11.524  -4.524   9.248
  176    HA   LYS  24           HA       LYS  24  -9.273  -6.150   9.169
  177   1HB   LYS  24          HB2       LYS  24  -9.826  -4.540  10.971
  178   2HB   LYS  24          HB3       LYS  24 -11.080  -5.633  11.573
  179   1HG   LYS  24          HG2       LYS  24  -9.363  -7.374  12.009
  180   2HG   LYS  24          HG3       LYS  24  -8.102  -6.311  11.384
  181   1HD   LYS  24          HD2       LYS  24  -9.849  -5.732  13.820
  182   2HD   LYS  24          HD3       LYS  24  -8.225  -6.432  13.874
  183   1HE   LYS  24          HE2       LYS  24  -7.306  -4.395  12.777
  184   2HE   LYS  24          HE3       LYS  24  -8.923  -3.670  12.783
  185   1HZ   LYS  24          HZ1       LYS  24  -8.884  -3.779  15.210
  186   2HZ   LYS  24          HZ2       LYS  24  -7.388  -4.440  15.198
  187   3HZ   LYS  24          HZ3       LYS  24  -7.613  -2.919  14.663
  188    H    GLY  25           H        GLY  25  -8.905  -8.280   9.047
  189   1HA   GLY  25          HA2       GLY  25  -9.186 -10.540   9.450
  190   2HA   GLY  25          HA3       GLY  25 -10.773 -10.243  10.156
  191    H    GLN  26           H        GLN  26 -10.838  -8.656   7.142
  192    HA   GLN  26           HA       GLN  26 -12.344 -10.782   5.835
  193   1HB   GLN  26          HB2       GLN  26 -12.742  -8.268   5.518
  194   2HB   GLN  26          HB3       GLN  26 -11.185  -8.205   4.683
  195   1HG   GLN  26          HG2       GLN  26 -12.337 -10.181   3.223
  196   2HG   GLN  26          HG3       GLN  26 -13.803  -9.424   3.816
  197   1HE2  GLN  26          HE22      GLN  26 -11.168  -9.244   1.563
  198   2HE2  GLN  26          HE21      GLN  26 -11.614  -7.712   0.827
  199    H    GLU  27           H        GLU  27 -11.479 -12.165   4.282
  200    HA   GLU  27           HA       GLU  27  -8.644 -12.581   3.991
  201   1HB   GLU  27          HB2       GLU  27 -10.427 -14.290   3.699
  202   2HB   GLU  27          HB3       GLU  27 -10.976 -13.460   2.239
  203   1HG   GLU  27          HG2       GLU  27  -8.823 -13.925   1.138
  204   2HG   GLU  27          HG3       GLU  27  -8.178 -14.612   2.635
  205    H    VAL  28           H        VAL  28  -7.219 -11.440   2.767
  206    HA   VAL  28           HA       VAL  28  -8.250  -9.858   0.469
  207    HB   VAL  28           HB       VAL  28  -6.318  -8.354   0.900
  208   1HG1  VAL  28          HG11      VAL  28  -8.654  -7.857   1.686
  209   2HG1  VAL  28          HG12      VAL  28  -8.252  -8.569   3.249
  210   3HG1  VAL  28          HG13      VAL  28  -7.395  -7.115   2.688
  211   1HG2  VAL  28          HG21      VAL  28  -5.231  -8.307   3.089
  212   2HG2  VAL  28          HG22      VAL  28  -6.115  -9.747   3.604
  213   3HG2  VAL  28          HG23      VAL  28  -4.903  -9.863   2.309
  214    H    ALA  29           H        ALA  29  -5.933 -12.364   1.547
  215    HA   ALA  29           HA       ALA  29  -5.598 -13.017  -1.249
  216   1HB   ALA  29          HB1       ALA  29  -3.136 -12.973  -1.223
  217   2HB   ALA  29          HB2       ALA  29  -3.778 -11.346  -0.994
  218   3HB   ALA  29          HB3       ALA  29  -3.137 -12.245   0.397
  219    H    ILE  30           H        ILE  30  -4.031 -15.024  -1.306
  220    HA   ILE  30           HA       ILE  30  -4.168 -16.603   1.212
  221    HB   ILE  30           HB       ILE  30  -4.869 -17.773  -1.512
  222   1HG1  ILE  30          HG12      ILE  30  -6.779 -17.119   0.776
  223   2HG1  ILE  30          HG13      ILE  30  -6.716 -16.314  -0.795
  224   1HG2  ILE  30          HG21      ILE  30  -3.787 -19.356   0.040
  225   2HG2  ILE  30          HG22      ILE  30  -4.955 -18.946   1.312
  226   3HG2  ILE  30          HG23      ILE  30  -5.457 -19.796  -0.172
  227   1HD1  ILE  30          HD11      ILE  30  -8.515 -17.819  -0.969
  228   2HD1  ILE  30          HD12      ILE  30  -7.180 -18.576  -1.871
  229   3HD1  ILE  30          HD13      ILE  30  -7.606 -19.154  -0.242
  230    H    LEU  31           H        LEU  31  -2.364 -17.825   1.524
  231    HA   LEU  31           HA       LEU  31  -0.155 -17.700  -0.474
  232   1HB   LEU  31          HB2       LEU  31  -0.336 -18.389   2.478
  233   2HB   LEU  31          HB3       LEU  31   1.067 -18.863   1.540
  234    HG   LEU  31           HG       LEU  31   0.121 -16.008   1.981
  235   1HD1  LEU  31          HD11      LEU  31   2.211 -15.881   3.346
  236   2HD1  LEU  31          HD12      LEU  31   1.155 -17.154   3.962
  237   3HD1  LEU  31          HD13      LEU  31   2.570 -17.572   2.973
  238   1HD2  LEU  31          HD21      LEU  31   1.180 -16.048  -0.188
  239   2HD2  LEU  31          HD22      LEU  31   2.351 -15.431   0.973
  240   3HD2  LEU  31          HD23      LEU  31   2.483 -17.108   0.404
  241    H    GLU  32           H        GLU  32   0.102 -19.353  -1.664
  242    HA   GLU  32           HA       GLU  32  -0.217 -22.104  -0.649
  243   1HB   GLU  32          HB2       GLU  32  -0.347 -21.965  -3.053
  244   2HB   GLU  32          HB3       GLU  32   0.999 -20.843  -3.155
  245   1HG   GLU  32          HG2       GLU  32   1.630 -23.512  -1.925
  246   2HG   GLU  32          HG3       GLU  32   1.145 -23.527  -3.612
  247    H    SER  33           H        SER  33   1.523 -22.854   0.579
  248    HA   SER  33           HA       SER  33   3.996 -21.226   0.711
  249   1HB   SER  33          HB2       SER  33   2.437 -20.596   2.548
  250   2HB   SER  33          HB3       SER  33   2.361 -22.289   3.056
  251    HG   SER  33           HG       SER  33   4.649 -20.591   2.976
  252    H    MET  34           H        MET  34   4.607 -22.814  -0.846
  253    HA   MET  34           HA       MET  34   5.512 -24.735  -1.573
  254   1HB   MET  34          HB2       MET  34   6.584 -24.866   1.278
  255   2HB   MET  34          HB3       MET  34   7.191 -25.782  -0.105
  256   1HG   MET  34          HG2       MET  34   8.665 -23.993   0.054
  257   2HG   MET  34          HG3       MET  34   7.603 -23.570  -1.281
  258   1HE   MET  34          HE1       MET  34   9.453 -21.376  -0.323
  259   2HE   MET  34          HE2       MET  34   8.111 -21.074  -1.453
  260   3HE   MET  34          HE3       MET  34   8.355 -20.001  -0.059
  261    H    LYS  35           H        BTL  35   2.988 -25.079  -1.312
  262    HA   LYS  35           HA       BTL  35   1.470 -26.596  -1.628
  263   1HB   LYS  35          HB2       BTL  35   3.175 -28.812  -0.458
  264   2HB   LYS  35          HB3       BTL  35   1.708 -28.951  -1.426
  265   1HG   LYS  35          HG2       BTL  35   2.953 -27.636  -3.254
  266   2HG   LYS  35          HG3       BTL  35   4.431 -27.968  -2.335
  267   1HD   LYS  35          HD2       BTL  35   3.869 -30.433  -2.453
  268   2HD   LYS  35          HD3       BTL  35   2.516 -30.023  -3.520
  269   1HE   LYS  35          HE2       BTL  35   5.481 -29.566  -4.053
  270   2HE   LYS  35          HE3       BTL  35   4.431 -30.739  -4.861
  271   1HZ   LYS  35          HZ1       BTL  35   4.503 -27.810  -5.219
  272    H    MET  36           H        MET  36   2.143 -25.246   1.190
  273    HA   MET  36           HA       MET  36  -0.110 -26.545   2.650
  274   1HB   MET  36          HB2       MET  36   1.853 -24.422   3.594
  275   2HB   MET  36          HB3       MET  36   0.630 -25.238   4.560
  276   1HG   MET  36          HG2       MET  36   1.790 -27.393   4.239
  277   2HG   MET  36          HG3       MET  36   3.042 -26.593   3.288
  278   1HE   MET  36          HE1       MET  36   5.003 -24.462   5.883
  279   2HE   MET  36          HE2       MET  36   4.901 -25.039   4.206
  280   3HE   MET  36          HE3       MET  36   3.702 -23.884   4.826
  281    H    GLU  37           H        GLU  37  -1.623 -24.868   3.636
  282    HA   GLU  37           HA       GLU  37  -2.133 -22.644   1.720
  283   1HB   GLU  37          HB2       GLU  37  -4.499 -23.137   2.001
  284   2HB   GLU  37          HB3       GLU  37  -3.623 -24.477   1.267
  285   1HG   GLU  37          HG2       GLU  37  -4.550 -24.389   4.175
  286   2HG   GLU  37          HG3       GLU  37  -5.430 -25.117   2.855
  287    H    ILE  38           H        ILE  38  -2.419 -20.642   2.624
  288    HA   ILE  38           HA       ILE  38  -3.142 -20.486   5.503
  289    HB   ILE  38           HB       ILE  38  -0.863 -18.807   4.466
  290   1HG1  ILE  38          HG12      ILE  38  -0.467 -21.459   5.904
  291   2HG1  ILE  38          HG13      ILE  38  -0.127 -21.184   4.189
  292   1HG2  ILE  38          HG21      ILE  38  -2.121 -18.139   6.517
  293   2HG2  ILE  38          HG22      ILE  38  -1.638 -19.671   7.275
  294   3HG2  ILE  38          HG23      ILE  38  -0.422 -18.455   6.824
  295   1HD1  ILE  38          HD11      ILE  38   1.546 -19.484   4.745
  296   2HD1  ILE  38          HD12      ILE  38   1.317 -19.840   6.481
  297   3HD1  ILE  38          HD13      ILE  38   1.921 -21.093   5.387
  298    HA   PRO  39           HA       PRO  39  -5.681 -17.233   3.469
  299   1HB   PRO  39          HB2       PRO  39  -6.436 -16.748   6.347
  300   2HB   PRO  39          HB3       PRO  39  -7.495 -16.910   4.919
  301   1HG   PRO  39          HG2       PRO  39  -7.258 -18.942   6.730
  302   2HG   PRO  39          HG3       PRO  39  -7.372 -19.278   4.972
  303   1HD   PRO  39          HD2       PRO  39  -4.892 -19.216   6.710
  304   2HD   PRO  39          HD3       PRO  39  -5.360 -20.386   5.435
  305    H    ILE  40           H        ILE  40  -5.191 -15.004   3.288
  306    HA   ILE  40           HA       ILE  40  -3.513 -13.766   5.414
  307    HB   ILE  40           HB       ILE  40  -3.461 -13.038   2.475
  308   1HG1  ILE  40          HG12      ILE  40  -2.612 -15.319   2.580
  309   2HG1  ILE  40          HG13      ILE  40  -1.340 -14.187   2.203
  310   1HG2  ILE  40          HG21      ILE  40  -2.721 -11.255   3.954
  311   2HG2  ILE  40          HG22      ILE  40  -1.614 -12.354   4.802
  312   3HG2  ILE  40          HG23      ILE  40  -1.320 -11.930   3.106
  313   1HD1  ILE  40          HD11      ILE  40  -1.008 -16.145   3.978
  314   2HD1  ILE  40          HD12      ILE  40  -0.210 -14.564   4.198
  315   3HD1  ILE  40          HD13      ILE  40  -1.669 -14.972   5.109
  316    H    VAL  41           H        VAL  41  -4.667 -12.318   6.460
  317    HA   VAL  41           HA       VAL  41  -7.149 -11.279   5.220
  318    HB   VAL  41           HB       VAL  41  -7.965 -11.239   7.620
  319   1HG1  VAL  41          HG11      VAL  41  -8.526 -13.695   7.645
  320   2HG1  VAL  41          HG12      VAL  41  -8.866 -12.899   6.123
  321   3HG1  VAL  41          HG13      VAL  41  -7.422 -13.928   6.272
  322   1HG2  VAL  41          HG21      VAL  41  -5.787 -13.342   8.089
  323   2HG2  VAL  41          HG22      VAL  41  -5.677 -11.663   8.697
  324   3HG2  VAL  41          HG23      VAL  41  -6.974 -12.733   9.250
  325    H    ALA  42           H        ALA  42  -7.846  -9.205   5.837
  326    HA   ALA  42           HA       ALA  42  -5.851  -7.227   5.736
  327   1HB   ALA  42          HB1       ALA  42  -8.207  -6.960   4.941
  328   2HB   ALA  42          HB2       ALA  42  -8.753  -7.006   6.623
  329   3HB   ALA  42          HB3       ALA  42  -7.731  -5.673   6.062
  330    H    ASP  43           H        ASP  43  -4.487  -6.751   7.311
  331    HA   ASP  43           HA       ASP  43  -4.765  -7.189  10.093
  332   1HB   ASP  43          HB2       ASP  43  -2.613  -6.763   9.044
  333   2HB   ASP  43          HB3       ASP  43  -3.115  -5.126   8.596
  334    H    ARG  44           H        ARG  44  -6.110  -4.587   8.126
  335    HA   ARG  44           HA       ARG  44  -7.624  -3.650  10.405
  336   1HB   ARG  44          HB2       ARG  44  -7.074  -1.320  10.234
  337   2HB   ARG  44          HB3       ARG  44  -5.616  -2.201  10.613
  338   1HG   ARG  44          HG2       ARG  44  -6.330  -1.241   7.792
  339   2HG   ARG  44          HG3       ARG  44  -5.444  -0.273   8.952
  340   1HD   ARG  44          HD2       ARG  44  -4.535  -2.889   7.710
  341   2HD   ARG  44          HD3       ARG  44  -3.940  -1.273   7.353
  342    HE   ARG  44           HE       ARG  44  -3.231  -2.962   9.616
  343   1HH1  ARG  44          HH21      ARG  44  -3.258   0.484   8.551
  344   2HH1  ARG  44          HH22      ARG  44  -2.071   0.915   9.728
  345   1HH2  ARG  44          HH11      ARG  44  -1.769  -2.412  11.002
  346   2HH2  ARG  44          HH12      ARG  44  -1.143  -0.785  11.180
  347    H    SER  45           H        SER  45  -9.443  -2.293   9.715
  348    HA   SER  45           HA       SER  45 -10.456  -2.830   7.067
  349   1HB   SER  45          HB2       SER  45 -11.291  -0.712   9.105
  350   2HB   SER  45          HB3       SER  45 -12.290  -1.392   7.805
  351    HG   SER  45           HG       SER  45 -12.648  -2.291   9.951
  352    H    GLY  46           H        GLY  46 -10.794  -1.130   5.384
  353   1HA   GLY  46          HA2       GLY  46  -9.983   1.520   5.535
  354   2HA   GLY  46          HA3       GLY  46  -8.516   0.630   5.093
  355    H    ILE  47           H        ILE  47  -8.955   2.199   3.175
  356    HA   ILE  47           HA       ILE  47 -10.374   0.618   1.093
  357    HB   ILE  47           HB       ILE  47 -10.045   3.640   1.212
  358   1HG1  ILE  47          HG12      ILE  47 -12.474   1.782   1.259
  359   2HG1  ILE  47          HG13      ILE  47 -11.903   2.801   2.581
  360   1HG2  ILE  47          HG21      ILE  47 -11.128   3.683  -1.004
  361   2HG2  ILE  47          HG22      ILE  47  -9.642   2.761  -1.097
  362   3HG2  ILE  47          HG23      ILE  47 -11.201   1.907  -1.025
  363   1HD1  ILE  47          HD11      ILE  47 -12.403   4.827   1.154
  364   2HD1  ILE  47          HD12      ILE  47 -13.186   3.723  -0.012
  365   3HD1  ILE  47          HD13      ILE  47 -13.816   3.862   1.634
  366    H    VAL  48           H        VAL  48  -9.081  -0.151  -0.390
  367    HA   VAL  48           HA       VAL  48  -6.261  -0.147   0.034
  368    HB   VAL  48           HB       VAL  48  -7.983  -1.161  -2.257
  369   1HG1  VAL  48          HG11      VAL  48  -6.012  -2.710  -2.649
  370   2HG1  VAL  48          HG12      VAL  48  -5.693  -1.022  -3.042
  371   3HG1  VAL  48          HG13      VAL  48  -5.069  -1.687  -1.531
  372   1HG2  VAL  48          HG21      VAL  48  -8.591  -2.231  -0.113
  373   2HG2  VAL  48          HG22      VAL  48  -7.775  -3.372  -1.177
  374   3HG2  VAL  48          HG23      VAL  48  -6.894  -2.637   0.180
  375    H    LYS  49           H        LYS  49  -4.796   1.259  -0.646
  376    HA   LYS  49           HA       LYS  49  -5.416   3.271  -2.715
  377   1HB   LYS  49          HB2       LYS  49  -4.076   3.838  -0.632
  378   2HB   LYS  49          HB3       LYS  49  -2.806   2.748  -1.204
  379   1HG   LYS  49          HG2       LYS  49  -2.660   4.082  -3.323
  380   2HG   LYS  49          HG3       LYS  49  -3.878   5.189  -2.695
  381   1HD   LYS  49          HD2       LYS  49  -1.119   4.633  -1.513
  382   2HD   LYS  49          HD3       LYS  49  -1.558   6.046  -2.459
  383   1HE   LYS  49          HE2       LYS  49  -2.606   5.325   0.323
  384   2HE   LYS  49          HE3       LYS  49  -1.461   6.595  -0.080
  385   1HZ   LYS  49          HZ1       LYS  49  -3.281   7.628  -1.420
  386   2HZ   LYS  49          HZ2       LYS  49  -4.333   6.528  -0.775
  387   3HZ   LYS  49          HZ3       LYS  49  -3.549   7.594   0.187
  388    H    GLU  50           H        GLU  50  -3.237   0.382  -2.076
  389    HA   GLU  50           HA       GLU  50  -3.151  -0.144  -4.958
  390   1HB   GLU  50          HB2       GLU  50  -1.352   1.649  -4.301
  391   2HB   GLU  50          HB3       GLU  50  -0.538   0.326  -3.457
  392   1HG   GLU  50          HG2       GLU  50  -0.275  -0.900  -5.541
  393   2HG   GLU  50          HG3       GLU  50  -1.329   0.236  -6.394
  394    H    VAL  51           H        VAL  51  -2.157  -2.277  -5.355
  395    HA   VAL  51           HA       VAL  51  -1.816  -3.960  -2.921
  396    HB   VAL  51           HB       VAL  51  -2.681  -5.009  -5.638
  397   1HG1  VAL  51          HG11      VAL  51  -3.309  -6.987  -4.340
  398   2HG1  VAL  51          HG12      VAL  51  -1.622  -6.595  -4.004
  399   3HG1  VAL  51          HG13      VAL  51  -2.871  -6.179  -2.818
  400   1HG2  VAL  51          HG21      VAL  51  -4.513  -4.344  -3.299
  401   2HG2  VAL  51          HG22      VAL  51  -4.527  -3.554  -4.892
  402   3HG2  VAL  51          HG23      VAL  51  -4.961  -5.260  -4.751
  403    H    LYS  52           H        LYS  52   0.230  -4.699  -2.743
  404    HA   LYS  52           HA       LYS  52   2.164  -3.743  -4.742
  405   1HB   LYS  52          HB2       LYS  52   2.497  -5.019  -1.988
  406   2HB   LYS  52          HB3       LYS  52   3.794  -4.336  -2.957
  407   1HG   LYS  52          HG2       LYS  52   1.445  -2.739  -1.846
  408   2HG   LYS  52          HG3       LYS  52   3.067  -2.820  -1.156
  409   1HD   LYS  52          HD2       LYS  52   3.991  -1.896  -3.308
  410   2HD   LYS  52          HD3       LYS  52   2.323  -1.667  -3.878
  411   1HE   LYS  52          HE2       LYS  52   1.850  -0.204  -1.949
  412   2HE   LYS  52          HE3       LYS  52   3.498  -0.443  -1.341
  413   1HZ   LYS  52          HZ1       LYS  52   3.295   1.625  -2.580
  414   2HZ   LYS  52          HZ2       LYS  52   4.311   0.625  -3.374
  415   3HZ   LYS  52          HZ3       LYS  52   2.774   0.835  -3.921
  416    H    LYS  53           H        LYS  53   0.435  -6.535  -4.654
  417    HA   LYS  53           HA       LYS  53   2.457  -8.123  -6.054
  418   1HB   LYS  53          HB2       LYS  53   0.988  -9.127  -3.567
  419   2HB   LYS  53          HB3       LYS  53   1.944 -10.153  -4.650
  420   1HG   LYS  53          HG2       LYS  53   3.089  -7.875  -2.977
  421   2HG   LYS  53          HG3       LYS  53   3.097  -9.575  -2.538
  422   1HD   LYS  53          HD2       LYS  53   4.388 -10.134  -4.582
  423   2HD   LYS  53          HD3       LYS  53   4.443  -8.428  -5.031
  424   1HE   LYS  53          HE2       LYS  53   5.709  -9.759  -2.617
  425   2HE   LYS  53          HE3       LYS  53   6.531  -9.060  -4.003
  426   1HZ   LYS  53          HZ1       LYS  53   4.945  -7.551  -2.002
  427   2HZ   LYS  53          HZ2       LYS  53   6.568  -7.650  -2.046
  428   3HZ   LYS  53          HZ3       LYS  53   5.767  -6.882  -3.283
  429    H    LYS  54           H        LYS  54   1.149 -10.309  -6.683
  430    HA   LYS  54           HA       LYS  54  -1.690  -9.796  -7.193
  431   1HB   LYS  54          HB2       LYS  54  -1.500 -10.176  -9.593
  432   2HB   LYS  54          HB3       LYS  54  -0.620  -8.724  -9.127
  433   1HG   LYS  54          HG2       LYS  54   1.526  -9.963  -9.224
  434   2HG   LYS  54          HG3       LYS  54   0.676 -11.446  -9.667
  435   1HD   LYS  54          HD2       LYS  54   0.684  -8.877 -11.309
  436   2HD   LYS  54          HD3       LYS  54   1.740 -10.271 -11.584
  437   1HE   LYS  54          HE2       LYS  54  -0.263 -11.714 -11.944
  438   2HE   LYS  54          HE3       LYS  54  -1.310 -10.304 -11.732
  439   1HZ   LYS  54          HZ1       LYS  54  -0.905 -10.756 -14.062
  440   2HZ   LYS  54          HZ2       LYS  54  -0.256  -9.313 -13.682
  441   3HZ   LYS  54          HZ3       LYS  54   0.707 -10.620 -13.879
  442    H    GLU  55           H        GLU  55  -2.688 -11.772  -8.162
  443    HA   GLU  55           HA       GLU  55  -2.271 -14.110  -6.852
  444   1HB   GLU  55          HB2       GLU  55  -3.179 -13.899  -9.754
  445   2HB   GLU  55          HB3       GLU  55  -3.392 -15.280  -8.682
  446   1HG   GLU  55          HG2       GLU  55  -5.422 -14.378  -8.350
  447   2HG   GLU  55          HG3       GLU  55  -4.567 -13.470  -7.120
  448    H    GLY  56           H        GLY  56  -0.650 -15.466  -6.646
  449   1HA   GLY  56          HA2       GLY  56   0.760 -17.159  -7.288
  450   2HA   GLY  56          HA3       GLY  56   0.649 -16.641  -8.975
  451    H    ASP  57           H        ASP  57   1.464 -13.842  -7.232
  452    HA   ASP  57           HA       ASP  57   4.193 -13.940  -8.165
  453   1HB   ASP  57          HB2       ASP  57   2.729 -11.858  -7.826
  454   2HB   ASP  57          HB3       ASP  57   3.108 -11.994  -6.108
  455    H    PHE  58           H        PHE  58   6.083 -13.734  -6.728
  456    HA   PHE  58           HA       PHE  58   6.006 -15.809  -4.609
  457   1HB   PHE  58          HB2       PHE  58   7.847 -15.867  -6.238
  458   2HB   PHE  58          HB3       PHE  58   8.290 -14.210  -5.836
  459    HD1  PHE  58           HD1      PHE  58   7.896 -17.629  -4.301
  460    HD2  PHE  58           HD2      PHE  58   9.854 -13.788  -4.083
  461    HE1  PHE  58           HE1      PHE  58   9.358 -18.474  -2.485
  462    HE2  PHE  58           HE2      PHE  58  11.313 -14.641  -2.266
  463    HZ   PHE  58           HZ       PHE  58  11.079 -16.986  -1.473
  464    H    VAL  59           H        VAL  59   6.330 -15.328  -2.425
  465    HA   VAL  59           HA       VAL  59   6.624 -12.522  -1.575
  466    HB   VAL  59           HB       VAL  59   4.552 -12.889  -0.131
  467   1HG1  VAL  59          HG11      VAL  59   3.016 -12.019  -1.769
  468   2HG1  VAL  59          HG12      VAL  59   4.622 -11.309  -1.976
  469   3HG1  VAL  59          HG13      VAL  59   4.044 -12.565  -3.104
  470   1HG2  VAL  59          HG21      VAL  59   4.217 -15.315  -0.573
  471   2HG2  VAL  59          HG22      VAL  59   2.789 -14.343  -0.990
  472   3HG2  VAL  59          HG23      VAL  59   3.840 -14.947  -2.271
  473    H    ASN  60           H        ASN  60   6.798 -12.372   0.843
  474    HA   ASN  60           HA       ASN  60   7.601 -14.826   2.159
  475   1HB   ASN  60          HB2       ASN  60   9.575 -13.267   0.755
  476   2HB   ASN  60          HB3       ASN  60   9.825 -12.985   2.471
  477   1HD2  ASN  60          HD22      ASN  60   9.039 -15.736   0.234
  478   2HD2  ASN  60          HD21      ASN  60  10.137 -16.867   0.994
  479    H    GLU  61           H        GLU  61   8.518 -14.353   4.394
  480    HA   GLU  61           HA       GLU  61   6.584 -12.911   5.883
  481   1HB   GLU  61          HB2       GLU  61   7.976 -14.769   6.748
  482   2HB   GLU  61          HB3       GLU  61   9.420 -13.756   6.626
  483   1HG   GLU  61          HG2       GLU  61   8.372 -12.150   8.258
  484   2HG   GLU  61          HG3       GLU  61   6.989 -13.233   8.393
  485    H    GLY  62           H        GLY  62   6.274 -10.762   5.943
  486   1HA   GLY  62          HA2       GLY  62   6.767  -8.586   6.477
  487   2HA   GLY  62          HA3       GLY  62   8.503  -8.923   6.407
  488    H    ASP  63           H        ASP  63   6.941 -10.116   3.550
  489    HA   ASP  63           HA       ASP  63   8.043  -7.917   1.937
  490   1HB   ASP  63          HB2       ASP  63   8.236 -10.352   1.314
  491   2HB   ASP  63          HB3       ASP  63   6.476 -10.401   1.140
  492    H    VAL  64           H        VAL  64   6.678  -6.441   0.837
  493    HA   VAL  64           HA       VAL  64   4.299  -5.757   2.279
  494    HB   VAL  64           HB       VAL  64   4.116  -3.958   0.546
  495   1HG1  VAL  64          HG11      VAL  64   6.042  -2.708   1.353
  496   2HG1  VAL  64          HG12      VAL  64   5.301  -3.647   2.660
  497   3HG1  VAL  64          HG13      VAL  64   6.817  -4.207   1.919
  498   1HG2  VAL  64          HG21      VAL  64   5.900  -3.557  -1.042
  499   2HG2  VAL  64          HG22      VAL  64   6.785  -4.998  -0.511
  500   3HG2  VAL  64          HG23      VAL  64   5.229  -5.166  -1.351
  501    H    LEU  65           H        LEU  65   2.168  -5.614   1.614
  502    HA   LEU  65           HA       LEU  65   1.350  -7.377  -0.669
  503   1HB   LEU  65          HB2       LEU  65   1.039  -8.494   1.537
  504   2HB   LEU  65          HB3       LEU  65   0.159  -7.101   2.125
  505    HG   LEU  65           HG       LEU  65  -1.647  -7.516   0.464
  506   1HD1  LEU  65          HD11      LEU  65  -0.096 -10.069  -0.154
  507   2HD1  LEU  65          HD12      LEU  65  -1.744  -9.687  -0.695
  508   3HD1  LEU  65          HD13      LEU  65  -0.389  -8.723  -1.282
  509   1HD2  LEU  65          HD21      LEU  65  -0.927  -9.810   2.313
  510   2HD2  LEU  65          HD22      LEU  65  -1.840  -8.347   2.738
  511   3HD2  LEU  65          HD23      LEU  65  -2.536  -9.521   1.610
  512    H    LEU  66           H        LEU  66   0.406  -4.592   1.484
  513    HA   LEU  66           HA       LEU  66  -1.450  -3.610  -0.623
  514   1HB   LEU  66          HB2       LEU  66  -2.048  -4.709   2.114
  515   2HB   LEU  66          HB3       LEU  66  -2.906  -3.258   1.676
  516    HG   LEU  66           HG       LEU  66  -2.977  -5.744  -0.076
  517   1HD1  LEU  66          HD11      LEU  66  -3.816  -6.317   2.174
  518   2HD1  LEU  66          HD12      LEU  66  -4.884  -4.898   2.156
  519   3HD1  LEU  66          HD13      LEU  66  -5.145  -6.233   1.014
  520   1HD2  LEU  66          HD21      LEU  66  -5.109  -4.608  -0.836
  521   2HD2  LEU  66          HD22      LEU  66  -4.667  -3.222   0.167
  522   3HD2  LEU  66          HD23      LEU  66  -3.644  -3.692  -1.201
  523    H    GLU  67           H        GLU  67  -1.905  -1.455  -0.436
  524    HA   GLU  67           HA       GLU  67  -0.805   0.074   1.844
  525   1HB   GLU  67          HB2       GLU  67   0.613   0.250  -0.329
  526   2HB   GLU  67          HB3       GLU  67  -0.804   0.986  -1.072
  527   1HG   GLU  67          HG2       GLU  67   0.540   2.797  -0.421
  528   2HG   GLU  67          HG3       GLU  67  -0.712   2.727   0.817
  529    H    LEU  68           H        LEU  68  -2.304   1.536   2.645
  530    HA   LEU  68           HA       LEU  68  -4.996   1.481   1.349
  531   1HB   LEU  68          HB2       LEU  68  -4.477   1.387   4.325
  532   2HB   LEU  68          HB3       LEU  68  -5.994   1.200   3.479
  533    HG   LEU  68           HG       LEU  68  -3.733  -0.820   3.576
  534   1HD1  LEU  68          HD11      LEU  68  -5.117  -0.448   5.657
  535   2HD1  LEU  68          HD12      LEU  68  -6.545  -0.938   4.746
  536   3HD1  LEU  68          HD13      LEU  68  -5.216  -2.094   5.000
  537   1HD2  LEU  68          HD21      LEU  68  -4.869  -1.065   1.431
  538   2HD2  LEU  68          HD22      LEU  68  -5.303  -2.389   2.498
  539   3HD2  LEU  68          HD23      LEU  68  -6.459  -1.061   2.238
  540    H    SER  69           H        SER  69  -5.971   3.487   1.280
  541    HA   SER  69           HA       SER  69  -4.377   5.776   1.742
  542   1HB   SER  69          HB2       SER  69  -7.356   5.445   1.245
  543   2HB   SER  69          HB3       SER  69  -6.490   6.997   1.162
  544    HG   SER  69           HG       SER  69  -6.733   5.776  -0.872
  545    H    ASN  70           H        ASN  70  -6.533   4.098   3.952
  546    HA   ASN  70           HA       ASN  70  -6.709   6.384   5.784
  547   1HB   ASN  70          HB2       ASN  70  -8.042   5.066   7.149
  548   2HB   ASN  70          HB3       ASN  70  -8.547   4.626   5.525
  549   1HD2  ASN  70          HD22      ASN  70  -8.827   3.092   8.060
  550   2HD2  ASN  70          HD21      ASN  70  -8.097   1.545   7.692
  551    H    SER  71           H        SER  71  -4.250   4.159   5.046
  552    HA   SER  71           HA       SER  71  -3.166   4.209   7.830
  553   1HB   SER  71          HB2       SER  71  -2.742   2.245   5.560
  554   2HB   SER  71          HB3       SER  71  -1.944   2.182   7.135
  555    HG   SER  71           HG       SER  71  -4.764   2.044   6.693
  556    H    THR  72           H        THR  72  -2.561   5.183   4.449
  557    HA   THR  72           HA       THR  72   0.220   5.772   4.888
  558    HB   THR  72           HB       THR  72  -0.182   7.123   2.726
  559    HG1  THR  72           HG1      THR  72  -2.423   7.399   2.899
  560   1HG2  THR  72          HG21      THR  72  -0.308   5.105   1.372
  561   2HG2  THR  72          HG22      THR  72   0.703   4.802   2.790
  562   3HG2  THR  72          HG23      THR  72  -0.959   4.177   2.743
  563    H    GLN  73           H        GLN  73  -2.495   7.256   6.237
  564    HA   GLN  73           HA       GLN  73  -1.900  10.002   6.051
  565   1HB   GLN  73          HB2       GLN  73  -3.234  10.297   8.050
  566   2HB   GLN  73          HB3       GLN  73  -4.030   9.215   6.913
  567   1HG   GLN  73          HG2       GLN  73  -3.370   7.261   8.288
  568   2HG   GLN  73          HG3       GLN  73  -2.525   8.323   9.417
  569   1HE2  GLN  73          HE22      GLN  73  -5.443   6.719   8.925
  570   2HE2  GLN  73          HE21      GLN  73  -6.452   7.680   9.992
  571    HN3  BTI 135           HN3      BTL  35  -4.486 -25.611  -2.243
  572    HN2  BTI 135           HN2      BTL  35  -2.622 -24.998  -5.750
  573    H4   BTI 135           H4       BTL  35  -1.330 -23.876  -3.865
  574    H2   BTI 135           H2       BTL  35   0.312 -25.533  -3.464
  575    H62  BTI 135           H62      BTL  35  -0.946 -26.053  -1.168
  576    H63  BTI 135           H63      BTL  35  -2.478 -26.958  -1.231
  577    H5   BTI 135           H5       BTL  35  -2.363 -24.301  -1.818
  578    H72  BTI 135           H72      BTL  35  -0.894 -26.716  -5.974
  579    H73  BTI 135           H73      BTL  35  -0.087 -25.134  -5.946
  580    H82  BTI 135           H82      BTL  35   1.990 -26.123  -5.173
  581    H83  BTI 135           H83      BTL  35   1.218 -27.712  -4.996
  582    H92  BTI 135           H92      BTL  35   0.840 -27.856  -7.408
  583    H93  BTI 135           H93      BTL  35   1.439 -26.209  -7.645
  584   H102  BTI 135          H102      BTL  35   3.129 -27.884  -8.291
  585   H103  BTI 135          H103      BTL  35   3.685 -26.853  -6.975
  Start of MODEL    3
    1   1H    THR   2           H1       THR   2   1.489   0.410   5.493
    2   2H    THR   2           H2       THR   2   0.306  -0.482   6.224
    3   3H    THR   2           H3       THR   2   1.888  -0.785   6.539
    4    HA   THR   2           HA       THR   2   0.520  -1.194   3.976
    5    HB   THR   2           HB       THR   2   3.443  -1.717   4.638
    6    HG1  THR   2           HG1      THR   2   3.854   0.127   3.510
    7   1HG2  THR   2          HG21      THR   2   3.741  -1.966   2.228
    8   2HG2  THR   2          HG22      THR   2   2.526  -3.132   2.774
    9   3HG2  THR   2          HG23      THR   2   2.025  -1.644   1.934
   10    H    VAL   3           H        VAL   3  -0.587  -3.114   3.976
   11    HA   VAL   3           HA       VAL   3  -0.255  -5.059   6.152
   12    HB   VAL   3           HB       VAL   3  -1.741  -5.492   3.537
   13   1HG1  VAL   3          HG11      VAL   3  -2.149  -6.631   6.329
   14   2HG1  VAL   3          HG12      VAL   3  -3.142  -7.000   4.902
   15   3HG1  VAL   3          HG13      VAL   3  -1.448  -7.489   4.937
   16   1HG2  VAL   3          HG21      VAL   3  -3.833  -4.755   4.644
   17   2HG2  VAL   3          HG22      VAL   3  -2.893  -4.189   6.046
   18   3HG2  VAL   3          HG23      VAL   3  -2.707  -3.411   4.461
   19    H    SER   4           H        SER   4   0.874  -7.066   5.871
   20    HA   SER   4           HA       SER   4   2.493  -7.404   3.413
   21   1HB   SER   4          HB2       SER   4   3.610  -7.316   6.245
   22   2HB   SER   4          HB3       SER   4   4.532  -7.620   4.777
   23    HG   SER   4           HG       SER   4   3.227  -5.212   5.546
   24    H    ILE   5           H        ILE   5   3.668  -9.455   3.512
   25    HA   ILE   5           HA       ILE   5   1.884 -11.633   4.243
   26    HB   ILE   5           HB       ILE   5   4.538 -11.455   2.746
   27   1HG1  ILE   5          HG12      ILE   5   2.911 -10.234   1.491
   28   2HG1  ILE   5          HG13      ILE   5   3.141 -11.769   0.706
   29   1HG2  ILE   5          HG21      ILE   5   3.839 -13.727   1.818
   30   2HG2  ILE   5          HG22      ILE   5   4.346 -13.709   3.488
   31   3HG2  ILE   5          HG23      ILE   5   2.608 -13.772   3.087
   32   1HD1  ILE   5          HD11      ILE   5   0.775 -10.932   2.405
   33   2HD1  ILE   5          HD12      ILE   5   0.809 -11.338   0.676
   34   3HD1  ILE   5          HD13      ILE   5   1.050 -12.610   1.880
   35    H    GLN   6           H        GLN   6   2.681 -13.530   5.316
   36    HA   GLN   6           HA       GLN   6   4.509 -12.936   7.588
   37   1HB   GLN   6          HB2       GLN   6   2.841 -13.895   9.063
   38   2HB   GLN   6          HB3       GLN   6   2.177 -12.536   8.171
   39   1HG   GLN   6          HG2       GLN   6   1.669 -15.483   7.501
   40   2HG   GLN   6          HG3       GLN   6   0.584 -14.449   8.424
   41   1HE2  GLN   6          HE22      GLN   6  -0.262 -12.455   7.275
   42   2HE2  GLN   6          HE21      GLN   6  -0.529 -12.560   5.550
   43    H    MET   7           H        MET   7   4.162 -15.003   4.979
   44    HA   MET   7           HA       MET   7   5.984 -16.877   6.286
   45   1HB   MET   7          HB2       MET   7   3.215 -17.603   5.893
   46   2HB   MET   7          HB3       MET   7   4.159 -18.491   4.704
   47   1HG   MET   7          HG2       MET   7   4.636 -18.424   7.703
   48   2HG   MET   7          HG3       MET   7   3.908 -19.752   6.802
   49   1HE   MET   7          HE1       MET   7   6.771 -21.552   5.063
   50   2HE   MET   7          HE2       MET   7   5.176 -21.721   5.831
   51   3HE   MET   7          HE3       MET   7   5.393 -20.593   4.481
   52    H    ALA   8           H        ALA   8   7.096 -18.243   4.723
   53    HA   ALA   8           HA       ALA   8   7.748 -16.954   2.203
   54   1HB   ALA   8          HB1       ALA   8   9.454 -18.129   3.490
   55   2HB   ALA   8          HB2       ALA   8   8.508 -19.641   3.407
   56   3HB   ALA   8          HB3       ALA   8   9.194 -18.940   1.928
   57    H    GLY   9           H        GLY   9   6.798 -17.374   0.213
   58   1HA   GLY   9          HA2       GLY   9   5.502 -19.825  -0.446
   59   2HA   GLY   9          HA3       GLY   9   4.321 -18.741   0.289
   60    H    ASN  10           H        ASN  10   3.229 -18.942  -1.651
   61    HA   ASN  10           HA       ASN  10   4.059 -17.079  -3.819
   62   1HB   ASN  10          HB2       ASN  10   2.931 -19.898  -4.154
   63   2HB   ASN  10          HB3       ASN  10   3.106 -18.710  -5.447
   64   1HD2  ASN  10          HD21      ASN  10   4.816 -21.044  -3.414
   65   2HD2  ASN  10          HD22      ASN  10   6.401 -20.788  -4.120
   66    H    LEU  11           H        LEU  11   2.349 -15.812  -4.392
   67    HA   LEU  11           HA       LEU  11   0.197 -15.736  -2.467
   68   1HB   LEU  11          HB2       LEU  11   1.651 -13.820  -3.273
   69   2HB   LEU  11          HB3       LEU  11   0.820 -13.915  -4.812
   70    HG   LEU  11           HG       LEU  11  -1.347 -13.405  -3.630
   71   1HD1  LEU  11          HD11      LEU  11  -0.950 -14.201  -1.392
   72   2HD1  LEU  11          HD12      LEU  11   0.512 -13.200  -1.215
   73   3HD1  LEU  11          HD13      LEU  11  -1.086 -12.443  -1.281
   74   1HD2  LEU  11          HD21      LEU  11   0.921 -11.445  -3.075
   75   2HD2  LEU  11          HD22      LEU  11   0.081 -11.627  -4.634
   76   3HD2  LEU  11          HD23      LEU  11  -0.802 -11.037  -3.225
   77    H    TRP  12           H        TRP  12  -0.565 -17.822  -3.261
   78    HA   TRP  12           HA       TRP  12  -1.541 -18.721  -5.570
   79   1HB   TRP  12          HB2       TRP  12  -1.470 -19.984  -3.556
   80   2HB   TRP  12          HB3       TRP  12  -2.641 -18.950  -2.765
   81    HD1  TRP  12           HD1      TRP  12  -4.073 -19.989  -6.044
   82    HE1  TRP  12           HE1      TRP  12  -5.766 -21.845  -5.721
   83    HE3  TRP  12           HE3      TRP  12  -2.875 -21.312  -1.262
   84    HZ2  TRP  12           HZ2      TRP  12  -6.705 -23.525  -3.547
   85    HZ3  TRP  12           HZ3      TRP  12  -4.226 -22.983  -0.072
   86    HH2  TRP  12           HH2      TRP  12  -6.153 -24.098  -1.183
   87    H    LYS  13           H        LYS  13  -3.488 -16.470  -3.476
   88    HA   LYS  13           HA       LYS  13  -4.969 -15.706  -5.886
   89   1HB   LYS  13          HB2       LYS  13  -6.392 -16.844  -3.486
   90   2HB   LYS  13          HB3       LYS  13  -7.152 -15.777  -4.680
   91   1HG   LYS  13          HG2       LYS  13  -6.544 -17.334  -6.514
   92   2HG   LYS  13          HG3       LYS  13  -5.890 -18.463  -5.324
   93   1HD   LYS  13          HD2       LYS  13  -8.795 -17.573  -5.474
   94   2HD   LYS  13          HD3       LYS  13  -8.129 -19.106  -6.072
   95   1HE   LYS  13          HE2       LYS  13  -7.245 -19.562  -3.766
   96   2HE   LYS  13          HE3       LYS  13  -8.091 -18.118  -3.192
   97   1HZ   LYS  13          HZ1       LYS  13  -9.409 -20.496  -4.401
   98   2HZ   LYS  13          HZ2       LYS  13  -9.413 -20.129  -2.816
   99   3HZ   LYS  13          HZ3       LYS  13 -10.194 -19.165  -3.873
  100    H    VAL  14           H        VAL  14  -6.027 -13.695  -5.709
  101    HA   VAL  14           HA       VAL  14  -5.482 -12.103  -3.274
  102    HB   VAL  14           HB       VAL  14  -4.851 -11.209  -6.127
  103   1HG1  VAL  14          HG11      VAL  14  -4.679  -9.661  -3.496
  104   2HG1  VAL  14          HG12      VAL  14  -4.018  -9.118  -5.051
  105   3HG1  VAL  14          HG13      VAL  14  -5.760  -9.305  -4.873
  106   1HG2  VAL  14          HG21      VAL  14  -3.057 -11.634  -3.697
  107   2HG2  VAL  14          HG22      VAL  14  -3.047 -12.603  -5.179
  108   3HG2  VAL  14          HG23      VAL  14  -2.531 -10.915  -5.234
  109    H    HIS  15           H        HIS  15  -7.111 -10.627  -2.883
  110    HA   HIS  15           HA       HIS  15  -9.628 -10.926  -4.459
  111   1HB   HIS  15          HB2       HIS  15  -9.383 -11.098  -1.434
  112   2HB   HIS  15          HB3       HIS  15 -10.828 -11.370  -2.401
  113    HD1  HIS  15           HD1      HIS  15 -10.343 -13.622  -4.276
  114    HD2  HIS  15           HD2      HIS  15  -8.220 -13.268  -0.662
  115    HE1  HIS  15           HE1      HIS  15  -9.372 -15.924  -3.779
  116    H    VAL  16           H        VAL  16  -7.449  -8.739  -3.768
  117    HA   VAL  16           HA       VAL  16  -9.368  -6.550  -3.155
  118    HB   VAL  16           HB       VAL  16  -7.257  -5.382  -2.265
  119   1HG1  VAL  16          HG11      VAL  16  -7.607  -6.266  -0.031
  120   2HG1  VAL  16          HG12      VAL  16  -9.148  -6.106  -0.885
  121   3HG1  VAL  16          HG13      VAL  16  -8.416  -7.711  -0.703
  122   1HG2  VAL  16          HG21      VAL  16  -6.232  -8.249  -1.990
  123   2HG2  VAL  16          HG22      VAL  16  -5.522  -6.972  -3.004
  124   3HG2  VAL  16          HG23      VAL  16  -5.541  -6.826  -1.238
  125    H    LYS  17           H        LYS  17  -8.893  -4.524  -4.150
  126    HA   LYS  17           HA       LYS  17  -6.950  -4.439  -6.330
  127   1HB   LYS  17          HB2       LYS  17  -9.914  -3.757  -6.716
  128   2HB   LYS  17          HB3       LYS  17  -8.626  -3.459  -7.888
  129   1HG   LYS  17          HG2       LYS  17  -8.211  -5.942  -7.982
  130   2HG   LYS  17          HG3       LYS  17  -9.638  -6.175  -6.959
  131   1HD   LYS  17          HD2       LYS  17  -9.626  -4.851  -9.706
  132   2HD   LYS  17          HD3       LYS  17 -10.102  -6.521  -9.367
  133   1HE   LYS  17          HE2       LYS  17 -11.921  -5.697  -7.872
  134   2HE   LYS  17          HE3       LYS  17 -11.476  -4.030  -8.260
  135   1HZ   LYS  17          HZ1       LYS  17 -13.314  -4.787  -9.619
  136   2HZ   LYS  17          HZ2       LYS  17 -12.033  -4.491 -10.578
  137   3HZ   LYS  17          HZ3       LYS  17 -12.450  -6.029 -10.216
  138    H    ALA  18           H        ALA  18  -6.578  -2.084  -6.860
  139    HA   ALA  18           HA       ALA  18  -6.709  -0.290  -4.655
  140   1HB   ALA  18          HB1       ALA  18  -6.165   1.450  -6.318
  141   2HB   ALA  18          HB2       ALA  18  -5.144   0.017  -6.535
  142   3HB   ALA  18          HB3       ALA  18  -6.512   0.316  -7.638
  143    H    GLY  19           H        GLY  19  -8.230   1.181  -3.995
  144   1HA   GLY  19          HA2       GLY  19 -10.144   2.421  -3.980
  145   2HA   GLY  19          HA3       GLY  19 -10.602   1.798  -5.569
  146    H    ASP  20           H        ASP  20 -10.031  -1.066  -3.920
  147    HA   ASP  20           HA       ASP  20 -12.879  -1.418  -3.406
  148   1HB   ASP  20          HB2       ASP  20 -11.406  -3.188  -4.386
  149   2HB   ASP  20          HB3       ASP  20 -10.549  -3.287  -2.840
  150    H    GLN  21           H        GLN  21 -13.800  -2.032  -1.361
  151    HA   GLN  21           HA       GLN  21 -12.581  -0.709   1.001
  152   1HB   GLN  21          HB2       GLN  21 -14.962  -0.274   0.457
  153   2HB   GLN  21          HB3       GLN  21 -15.292  -2.002   0.470
  154   1HG   GLN  21          HG2       GLN  21 -16.141  -1.144   2.499
  155   2HG   GLN  21          HG3       GLN  21 -14.717  -2.061   2.929
  156   1HE2  GLN  21          HE22      GLN  21 -13.381  -0.996   4.453
  157   2HE2  GLN  21          HE21      GLN  21 -13.373   0.736   4.670
  158    H    ILE  22           H        ILE  22 -11.825  -1.901   2.745
  159    HA   ILE  22           HA       ILE  22 -12.463  -4.778   2.969
  160    HB   ILE  22           HB       ILE  22 -10.181  -5.314   3.620
  161   1HG1  ILE  22          HG12      ILE  22  -9.388  -2.489   2.784
  162   2HG1  ILE  22          HG13      ILE  22  -9.447  -3.100   4.445
  163   1HG2  ILE  22          HG21      ILE  22 -10.160  -4.044   0.857
  164   2HG2  ILE  22          HG22      ILE  22  -9.173  -5.394   1.444
  165   3HG2  ILE  22          HG23      ILE  22 -10.913  -5.603   1.258
  166   1HD1  ILE  22          HD11      ILE  22  -7.561  -3.926   2.228
  167   2HD1  ILE  22          HD12      ILE  22  -7.183  -3.199   3.808
  168   3HD1  ILE  22          HD13      ILE  22  -7.746  -4.871   3.712
  169    H    GLU  23           H        GLU  23 -11.792  -5.560   5.204
  170    HA   GLU  23           HA       GLU  23 -12.364  -3.553   7.274
  171   1HB   GLU  23          HB2       GLU  23 -14.532  -4.417   6.303
  172   2HB   GLU  23          HB3       GLU  23 -14.042  -6.052   6.777
  173   1HG   GLU  23          HG2       GLU  23 -13.921  -5.308   9.144
  174   2HG   GLU  23          HG3       GLU  23 -14.352  -3.668   8.644
  175    H    LYS  24           H        LYS  24 -11.441  -4.284   9.257
  176    HA   LYS  24           HA       LYS  24  -9.195  -5.898   9.101
  177   1HB   LYS  24          HB2       LYS  24  -9.766  -4.217  10.864
  178   2HB   LYS  24          HB3       LYS  24 -10.876  -5.378  11.596
  179   1HG   LYS  24          HG2       LYS  24  -9.017  -6.922  12.049
  180   2HG   LYS  24          HG3       LYS  24  -7.899  -5.878  11.154
  181   1HD   LYS  24          HD2       LYS  24  -8.393  -4.029  12.802
  182   2HD   LYS  24          HD3       LYS  24  -9.347  -5.170  13.753
  183   1HE   LYS  24          HE2       LYS  24  -6.379  -5.444  13.069
  184   2HE   LYS  24          HE3       LYS  24  -7.008  -4.802  14.582
  185   1HZ   LYS  24          HZ1       LYS  24  -6.420  -7.107  14.831
  186   2HZ   LYS  24          HZ2       LYS  24  -8.030  -6.967  15.012
  187   3HZ   LYS  24          HZ3       LYS  24  -7.406  -7.579  13.626
  188    H    GLY  25           H        GLY  25  -8.830  -8.035   8.982
  189   1HA   GLY  25          HA2       GLY  25  -9.084 -10.287   9.475
  190   2HA   GLY  25          HA3       GLY  25 -10.667  -9.984  10.185
  191    H    GLN  26           H        GLN  26 -10.745  -8.481   7.117
  192    HA   GLN  26           HA       GLN  26 -12.308 -10.673   5.975
  193   1HB   GLN  26          HB2       GLN  26 -12.723  -8.087   5.861
  194   2HB   GLN  26          HB3       GLN  26 -11.497  -8.084   4.594
  195   1HG   GLN  26          HG2       GLN  26 -14.168  -9.571   4.647
  196   2HG   GLN  26          HG3       GLN  26 -13.795  -8.126   3.710
  197   1HE2  GLN  26          HE22      GLN  26 -11.862  -8.396   2.093
  198   2HE2  GLN  26          HE21      GLN  26 -11.586  -9.990   1.423
  199    H    GLU  27           H        GLU  27 -11.578 -11.908   4.196
  200    HA   GLU  27           HA       GLU  27  -8.728 -12.431   4.036
  201   1HB   GLU  27          HB2       GLU  27 -10.475 -14.168   4.013
  202   2HB   GLU  27          HB3       GLU  27 -11.099 -13.544   2.484
  203   1HG   GLU  27          HG2       GLU  27  -8.980 -14.139   1.357
  204   2HG   GLU  27          HG3       GLU  27  -8.275 -14.628   2.901
  205    H    VAL  28           H        VAL  28  -7.374 -11.192   2.876
  206    HA   VAL  28           HA       VAL  28  -8.385  -9.766   0.477
  207    HB   VAL  28           HB       VAL  28  -6.388  -8.327   0.807
  208   1HG1  VAL  28          HG11      VAL  28  -8.183  -8.441   3.270
  209   2HG1  VAL  28          HG12      VAL  28  -7.318  -7.028   2.629
  210   3HG1  VAL  28          HG13      VAL  28  -8.665  -7.748   1.721
  211   1HG2  VAL  28          HG21      VAL  28  -4.960  -9.871   2.161
  212   2HG2  VAL  28          HG22      VAL  28  -5.188  -8.293   2.930
  213   3HG2  VAL  28          HG23      VAL  28  -6.100  -9.690   3.518
  214    H    ALA  29           H        ALA  29  -6.090 -12.325   1.537
  215    HA   ALA  29           HA       ALA  29  -5.836 -13.058  -1.254
  216   1HB   ALA  29          HB1       ALA  29  -3.310 -12.973  -1.212
  217   2HB   ALA  29          HB2       ALA  29  -4.080 -11.388  -1.261
  218   3HB   ALA  29          HB3       ALA  29  -3.413 -11.984   0.260
  219    H    ILE  30           H        ILE  30  -4.179 -15.019  -1.304
  220    HA   ILE  30           HA       ILE  30  -4.212 -16.569   1.225
  221    HB   ILE  30           HB       ILE  30  -5.304 -17.512  -1.461
  222   1HG1  ILE  30          HG12      ILE  30  -6.506 -17.349   1.342
  223   2HG1  ILE  30          HG13      ILE  30  -6.971 -16.406  -0.073
  224   1HG2  ILE  30          HG21      ILE  30  -3.798 -19.255  -0.613
  225   2HG2  ILE  30          HG22      ILE  30  -4.656 -19.261   0.948
  226   3HG2  ILE  30          HG23      ILE  30  -5.450 -19.786  -0.560
  227   1HD1  ILE  30          HD11      ILE  30  -8.645 -18.068   0.200
  228   2HD1  ILE  30          HD12      ILE  30  -7.665 -18.583  -1.185
  229   3HD1  ILE  30          HD13      ILE  30  -7.459 -19.366   0.398
  230    H    LEU  31           H        LEU  31  -2.406 -17.773   1.473
  231    HA   LEU  31           HA       LEU  31  -0.245 -17.648  -0.568
  232   1HB   LEU  31          HB2       LEU  31  -0.315 -18.475   2.360
  233   2HB   LEU  31          HB3       LEU  31   1.074 -18.702   1.338
  234    HG   LEU  31           HG       LEU  31  -0.098 -16.056   2.239
  235   1HD1  LEU  31          HD11      LEU  31   2.122 -15.870   3.350
  236   2HD1  LEU  31          HD12      LEU  31   1.243 -17.291   3.898
  237   3HD1  LEU  31          HD13      LEU  31   2.574 -17.464   2.732
  238   1HD2  LEU  31          HD21      LEU  31   2.208 -16.638   0.301
  239   2HD2  LEU  31          HD22      LEU  31   0.720 -15.753  -0.087
  240   3HD2  LEU  31          HD23      LEU  31   1.879 -15.049   1.034
  241    H    GLU  32           H        GLU  32   0.237 -19.371  -1.597
  242    HA   GLU  32           HA       GLU  32  -0.175 -22.079  -0.494
  243   1HB   GLU  32          HB2       GLU  32  -0.382 -22.082  -2.905
  244   2HB   GLU  32          HB3       GLU  32   0.974 -20.982  -3.115
  245   1HG   GLU  32          HG2       GLU  32   1.604 -23.604  -1.784
  246   2HG   GLU  32          HG3       GLU  32   1.087 -23.662  -3.461
  247    H    SER  33           H        SER  33   1.596 -22.875   0.578
  248    HA   SER  33           HA       SER  33   4.110 -21.289   0.651
  249   1HB   SER  33          HB2       SER  33   2.209 -21.909   2.899
  250   2HB   SER  33          HB3       SER  33   3.953 -21.927   3.220
  251    HG   SER  33           HG       SER  33   4.101 -19.839   2.506
  252    H    MET  34           H        MET  34   4.675 -22.970  -0.848
  253    HA   MET  34           HA       MET  34   5.709 -24.879  -1.406
  254   1HB   MET  34          HB2       MET  34   6.611 -25.114   1.483
  255   2HB   MET  34          HB3       MET  34   7.432 -25.694   0.031
  256   1HG   MET  34          HG2       MET  34   7.039 -22.819   0.929
  257   2HG   MET  34          HG3       MET  34   8.546 -23.717   0.865
  258   1HE   MET  34          HE1       MET  34   7.799 -20.730  -0.287
  259   2HE   MET  34          HE2       MET  34   9.450 -21.389  -0.249
  260   3HE   MET  34          HE3       MET  34   8.790 -20.724  -1.761
  261    H    LYS  35           H        BTL  35   3.087 -25.183  -1.044
  262    HA   LYS  35           HA       BTL  35   1.582 -26.727  -1.328
  263   1HB   LYS  35          HB2       BTL  35   3.254 -28.893  -0.012
  264   2HB   LYS  35          HB3       BTL  35   1.771 -29.071  -0.940
  265   1HG   LYS  35          HG2       BTL  35   3.044 -27.911  -2.876
  266   2HG   LYS  35          HG3       BTL  35   4.511 -28.289  -1.969
  267   1HD   LYS  35          HD2       BTL  35   3.857 -30.694  -1.940
  268   2HD   LYS  35          HD3       BTL  35   2.418 -30.314  -2.896
  269   1HE   LYS  35          HE2       BTL  35   5.303 -29.877  -3.799
  270   2HE   LYS  35          HE3       BTL  35   4.279 -31.243  -4.256
  271   1HZ   LYS  35          HZ1       BTL  35   2.900 -29.837  -5.553
  272    H    MET  36           H        MET  36   2.302 -25.220   1.397
  273    HA   MET  36           HA       MET  36   0.083 -26.408   2.985
  274   1HB   MET  36          HB2       MET  36   2.059 -24.203   3.735
  275   2HB   MET  36          HB3       MET  36   0.830 -24.925   4.768
  276   1HG   MET  36          HG2       MET  36   1.925 -27.126   4.592
  277   2HG   MET  36          HG3       MET  36   3.192 -26.434   3.581
  278   1HE   MET  36          HE1       MET  36   5.142 -24.991   4.356
  279   2HE   MET  36          HE2       MET  36   4.029 -23.704   4.869
  280   3HE   MET  36          HE3       MET  36   5.302 -24.268   5.972
  281    H    GLU  37           H        GLU  37  -1.382 -24.604   3.918
  282    HA   GLU  37           HA       GLU  37  -1.995 -22.572   1.834
  283   1HB   GLU  37          HB2       GLU  37  -4.368 -23.125   2.137
  284   2HB   GLU  37          HB3       GLU  37  -3.430 -24.462   1.454
  285   1HG   GLU  37          HG2       GLU  37  -3.412 -25.547   3.723
  286   2HG   GLU  37          HG3       GLU  37  -4.454 -24.250   4.315
  287    H    ILE  38           H        ILE  38  -2.279 -20.542   2.684
  288    HA   ILE  38           HA       ILE  38  -2.937 -20.314   5.576
  289    HB   ILE  38           HB       ILE  38  -0.629 -18.737   4.423
  290   1HG1  ILE  38          HG12      ILE  38  -0.349 -21.353   5.960
  291   2HG1  ILE  38          HG13      ILE  38   0.049 -21.114   4.251
  292   1HG2  ILE  38          HG21      ILE  38  -1.378 -19.427   7.292
  293   2HG2  ILE  38          HG22      ILE  38  -0.140 -18.269   6.751
  294   3HG2  ILE  38          HG23      ILE  38  -1.838 -17.926   6.466
  295   1HD1  ILE  38          HD11      ILE  38   2.077 -21.078   5.460
  296   2HD1  ILE  38          HD12      ILE  38   1.750 -19.437   4.881
  297   3HD1  ILE  38          HD13      ILE  38   1.483 -19.854   6.595
  298    HA   PRO  39           HA       PRO  39  -5.467 -17.085   3.537
  299   1HB   PRO  39          HB2       PRO  39  -6.019 -16.393   6.419
  300   2HB   PRO  39          HB3       PRO  39  -7.171 -16.579   5.067
  301   1HG   PRO  39          HG2       PRO  39  -6.921 -18.521   6.961
  302   2HG   PRO  39          HG3       PRO  39  -7.115 -18.953   5.230
  303   1HD   PRO  39          HD2       PRO  39  -4.565 -18.846   6.860
  304   2HD   PRO  39          HD3       PRO  39  -5.121 -20.095   5.702
  305    H    ILE  40           H        ILE  40  -5.314 -14.760   3.430
  306    HA   ILE  40           HA       ILE  40  -3.425 -13.405   5.277
  307    HB   ILE  40           HB       ILE  40  -3.729 -12.823   2.314
  308   1HG1  ILE  40          HG12      ILE  40  -1.132 -13.791   3.540
  309   2HG1  ILE  40          HG13      ILE  40  -2.301 -14.955   2.918
  310   1HG2  ILE  40          HG21      ILE  40  -1.858 -11.627   4.412
  311   2HG2  ILE  40          HG22      ILE  40  -1.885 -11.189   2.699
  312   3HG2  ILE  40          HG23      ILE  40  -3.273 -10.824   3.711
  313   1HD1  ILE  40          HD11      ILE  40  -0.525 -14.202   1.265
  314   2HD1  ILE  40          HD12      ILE  40  -2.202 -14.129   0.721
  315   3HD1  ILE  40          HD13      ILE  40  -1.338 -12.653   1.194
  316    H    VAL  41           H        VAL  41  -4.642 -11.996   6.368
  317    HA   VAL  41           HA       VAL  41  -7.218 -11.083   5.213
  318    HB   VAL  41           HB       VAL  41  -7.969 -10.995   7.617
  319   1HG1  VAL  41          HG11      VAL  41  -8.476 -13.447   7.745
  320   2HG1  VAL  41          HG12      VAL  41  -8.832 -12.734   6.181
  321   3HG1  VAL  41          HG13      VAL  41  -7.367 -13.723   6.385
  322   1HG2  VAL  41          HG21      VAL  41  -5.678 -12.959   8.130
  323   2HG2  VAL  41          HG22      VAL  41  -5.678 -11.260   8.682
  324   3HG2  VAL  41          HG23      VAL  41  -6.894 -12.394   9.284
  325    H    ALA  42           H        ALA  42  -7.912  -8.988   5.822
  326    HA   ALA  42           HA       ALA  42  -5.923  -7.002   5.616
  327   1HB   ALA  42          HB1       ALA  42  -7.788  -5.445   6.032
  328   2HB   ALA  42          HB2       ALA  42  -8.325  -6.748   4.948
  329   3HB   ALA  42          HB3       ALA  42  -8.771  -6.775   6.661
  330    H    ASP  43           H        ASP  43  -4.505  -6.393   7.136
  331    HA   ASP  43           HA       ASP  43  -4.659  -6.997   9.911
  332   1HB   ASP  43          HB2       ASP  43  -2.556  -6.556   8.730
  333   2HB   ASP  43          HB3       ASP  43  -3.042  -4.883   8.438
  334    H    ARG  44           H        ARG  44  -6.083  -4.372   8.083
  335    HA   ARG  44           HA       ARG  44  -7.482  -3.359  10.401
  336   1HB   ARG  44          HB2       ARG  44  -6.733  -1.003  10.092
  337   2HB   ARG  44          HB3       ARG  44  -5.455  -2.072  10.664
  338   1HG   ARG  44          HG2       ARG  44  -4.686  -2.242   8.201
  339   2HG   ARG  44          HG3       ARG  44  -5.787  -0.902   7.872
  340   1HD   ARG  44          HD2       ARG  44  -3.663  -0.750  10.054
  341   2HD   ARG  44          HD3       ARG  44  -3.256  -0.490   8.368
  342    HE   ARG  44           HE       ARG  44  -4.373   1.494   8.271
  343   1HH1  ARG  44          HH21      ARG  44  -4.730   0.108  11.529
  344   2HH1  ARG  44          HH22      ARG  44  -5.284   1.574  12.246
  345   1HH2  ARG  44          HH11      ARG  44  -5.164   3.440   9.222
  346   2HH2  ARG  44          HH12      ARG  44  -5.502   3.506  10.915
  347    H    SER  45           H        SER  45  -9.302  -2.030   9.707
  348    HA   SER  45           HA       SER  45 -10.354  -2.620   7.110
  349   1HB   SER  45          HB2       SER  45 -11.154  -0.464   9.118
  350   2HB   SER  45          HB3       SER  45 -12.179  -1.161   7.846
  351    HG   SER  45           HG       SER  45 -12.470  -2.045  10.011
  352    H    GLY  46           H        GLY  46 -10.890  -1.000   5.416
  353   1HA   GLY  46          HA2       GLY  46 -10.382   1.670   5.397
  354   2HA   GLY  46          HA3       GLY  46  -8.788   0.993   5.015
  355    H    ILE  47           H        ILE  47  -9.448   2.412   3.042
  356    HA   ILE  47           HA       ILE  47 -10.670   0.616   1.000
  357    HB   ILE  47           HB       ILE  47 -10.242   3.630   0.965
  358   1HG1  ILE  47          HG12      ILE  47 -12.723   1.836   0.945
  359   2HG1  ILE  47          HG13      ILE  47 -12.206   2.896   2.258
  360   1HG2  ILE  47          HG21      ILE  47  -9.725   2.641  -1.259
  361   2HG2  ILE  47          HG22      ILE  47 -11.294   1.806  -1.243
  362   3HG2  ILE  47          HG23      ILE  47 -11.201   3.580  -1.313
  363   1HD1  ILE  47          HD11      ILE  47 -14.025   3.961   1.154
  364   2HD1  ILE  47          HD12      ILE  47 -12.560   4.870   0.724
  365   3HD1  ILE  47          HD13      ILE  47 -13.301   3.740  -0.442
  366    H    VAL  48           H        VAL  48  -9.289  -0.255  -0.425
  367    HA   VAL  48           HA       VAL  48  -6.473  -0.222   0.114
  368    HB   VAL  48           HB       VAL  48  -8.076  -1.280  -2.237
  369   1HG1  VAL  48          HG11      VAL  48  -5.681  -1.115  -2.849
  370   2HG1  VAL  48          HG12      VAL  48  -5.220  -1.926  -1.346
  371   3HG1  VAL  48          HG13      VAL  48  -6.128  -2.800  -2.606
  372   1HG2  VAL  48          HG21      VAL  48  -7.065  -2.701   0.261
  373   2HG2  VAL  48          HG22      VAL  48  -8.760  -2.334  -0.102
  374   3HG2  VAL  48          HG23      VAL  48  -7.887  -3.476  -1.113
  375    H    LYS  49           H        LYS  49  -4.864   0.895  -0.847
  376    HA   LYS  49           HA       LYS  49  -5.556   3.021  -2.824
  377   1HB   LYS  49          HB2       LYS  49  -4.729   3.711  -0.604
  378   2HB   LYS  49          HB3       LYS  49  -3.320   2.666  -0.802
  379   1HG   LYS  49          HG2       LYS  49  -2.746   4.154  -2.864
  380   2HG   LYS  49          HG3       LYS  49  -3.977   5.268  -2.209
  381   1HD   LYS  49          HD2       LYS  49  -2.785   5.090   0.031
  382   2HD   LYS  49          HD3       LYS  49  -1.542   4.111  -0.773
  383   1HE   LYS  49          HE2       LYS  49  -0.960   6.034  -2.217
  384   2HE   LYS  49          HE3       LYS  49  -2.192   7.018  -1.397
  385   1HZ   LYS  49          HZ1       LYS  49   0.009   7.339  -0.410
  386   2HZ   LYS  49          HZ2       LYS  49  -1.005   6.620   0.686
  387   3HZ   LYS  49          HZ3       LYS  49   0.128   5.726  -0.076
  388    H    GLU  50           H        GLU  50  -3.226   0.317  -1.994
  389    HA   GLU  50           HA       GLU  50  -2.688   0.051  -4.869
  390   1HB   GLU  50          HB2       GLU  50  -1.026   1.759  -3.748
  391   2HB   GLU  50          HB3       GLU  50  -0.335   0.335  -2.955
  392   1HG   GLU  50          HG2       GLU  50   0.216  -0.656  -5.098
  393   2HG   GLU  50          HG3       GLU  50  -0.719   0.572  -5.962
  394    H    VAL  51           H        VAL  51  -1.775  -2.047  -5.337
  395    HA   VAL  51           HA       VAL  51  -1.736  -3.977  -3.070
  396    HB   VAL  51           HB       VAL  51  -2.422  -4.719  -5.934
  397   1HG1  VAL  51          HG11      VAL  51  -3.319  -6.737  -4.902
  398   2HG1  VAL  51          HG12      VAL  51  -1.665  -6.500  -4.324
  399   3HG1  VAL  51          HG13      VAL  51  -3.028  -6.094  -3.275
  400   1HG2  VAL  51          HG21      VAL  51  -4.813  -4.859  -5.259
  401   2HG2  VAL  51          HG22      VAL  51  -4.425  -4.001  -3.755
  402   3HG2  VAL  51          HG23      VAL  51  -4.227  -3.196  -5.326
  403    H    LYS  52           H        LYS  52   0.304  -4.657  -2.724
  404    HA   LYS  52           HA       LYS  52   2.392  -3.630  -4.496
  405   1HB   LYS  52          HB2       LYS  52   2.539  -5.239  -1.910
  406   2HB   LYS  52          HB3       LYS  52   3.876  -4.403  -2.683
  407   1HG   LYS  52          HG2       LYS  52   1.401  -2.994  -1.572
  408   2HG   LYS  52          HG3       LYS  52   2.918  -3.195  -0.714
  409   1HD   LYS  52          HD2       LYS  52   4.112  -1.920  -2.489
  410   2HD   LYS  52          HD3       LYS  52   2.551  -1.647  -3.308
  411   1HE   LYS  52          HE2       LYS  52   1.667  -0.549  -1.319
  412   2HE   LYS  52          HE3       LYS  52   3.177  -0.831  -0.436
  413   1HZ   LYS  52          HZ1       LYS  52   2.899   0.833  -2.874
  414   2HZ   LYS  52          HZ2       LYS  52   2.986   1.404  -1.334
  415   3HZ   LYS  52          HZ3       LYS  52   4.287   0.638  -1.999
  416    H    LYS  53           H        LYS  53   0.618  -6.447  -4.579
  417    HA   LYS  53           HA       LYS  53   2.659  -7.996  -6.044
  418   1HB   LYS  53          HB2       LYS  53   1.049  -9.025  -3.659
  419   2HB   LYS  53          HB3       LYS  53   1.972 -10.059  -4.759
  420   1HG   LYS  53          HG2       LYS  53   3.263  -7.898  -3.041
  421   2HG   LYS  53          HG3       LYS  53   3.063  -9.579  -2.560
  422   1HD   LYS  53          HD2       LYS  53   4.348 -10.338  -4.522
  423   2HD   LYS  53          HD3       LYS  53   4.598  -8.647  -5.034
  424   1HE   LYS  53          HE2       LYS  53   5.888  -8.151  -3.088
  425   2HE   LYS  53          HE3       LYS  53   5.369  -9.632  -2.285
  426   1HZ   LYS  53          HZ1       LYS  53   6.604 -10.888  -3.998
  427   2HZ   LYS  53          HZ2       LYS  53   7.256  -9.467  -4.543
  428   3HZ   LYS  53          HZ3       LYS  53   7.508  -9.990  -2.987
  429    H    LYS  54           H        LYS  54   1.325 -10.113  -6.819
  430    HA   LYS  54           HA       LYS  54  -1.467  -9.481  -7.392
  431   1HB   LYS  54          HB2       LYS  54  -1.206  -9.827  -9.828
  432   2HB   LYS  54          HB3       LYS  54  -0.432  -8.381  -9.233
  433   1HG   LYS  54          HG2       LYS  54   1.104  -9.137 -10.764
  434   2HG   LYS  54          HG3       LYS  54   1.796  -9.675  -9.251
  435   1HD   LYS  54          HD2       LYS  54   2.082 -11.406 -10.872
  436   2HD   LYS  54          HD3       LYS  54   0.881 -11.989  -9.726
  437   1HE   LYS  54          HE2       LYS  54  -0.925 -11.237 -11.347
  438   2HE   LYS  54          HE3       LYS  54   0.348 -10.775 -12.484
  439   1HZ   LYS  54          HZ1       LYS  54  -0.191 -13.499 -11.461
  440   2HZ   LYS  54          HZ2       LYS  54  -0.504 -12.965 -12.976
  441   3HZ   LYS  54          HZ3       LYS  54   1.046 -13.125 -12.489
  442    H    GLU  55           H        GLU  55  -2.591 -11.369  -8.227
  443    HA   GLU  55           HA       GLU  55  -2.135 -13.724  -6.867
  444   1HB   GLU  55          HB2       GLU  55  -4.214 -12.939  -7.912
  445   2HB   GLU  55          HB3       GLU  55  -3.569 -13.254  -9.525
  446   1HG   GLU  55          HG2       GLU  55  -3.573 -15.628  -9.171
  447   2HG   GLU  55          HG3       GLU  55  -3.758 -15.433  -7.439
  448    H    GLY  56           H        GLY  56  -0.506 -15.093  -6.929
  449   1HA   GLY  56          HA2       GLY  56   0.651 -16.857  -7.953
  450   2HA   GLY  56          HA3       GLY  56   0.596 -16.034  -9.514
  451    H    ASP  57           H        ASP  57   1.517 -13.622  -7.309
  452    HA   ASP  57           HA       ASP  57   4.247 -13.696  -8.244
  453   1HB   ASP  57          HB2       ASP  57   2.781 -11.632  -7.491
  454   2HB   ASP  57          HB3       ASP  57   3.355 -12.033  -5.886
  455    H    PHE  58           H        PHE  58   6.105 -13.629  -6.703
  456    HA   PHE  58           HA       PHE  58   6.005 -15.862  -4.738
  457   1HB   PHE  58          HB2       PHE  58   7.882 -15.787  -6.352
  458   2HB   PHE  58          HB3       PHE  58   8.296 -14.163  -5.812
  459    HD1  PHE  58           HD1      PHE  58   8.058 -17.733  -4.698
  460    HD2  PHE  58           HD2      PHE  58   9.667 -13.817  -3.859
  461    HE1  PHE  58           HE1      PHE  58   9.505 -18.701  -2.931
  462    HE2  PHE  58           HE2      PHE  58  11.107 -14.792  -2.088
  463    HZ   PHE  58           HZ       PHE  58  11.041 -17.237  -1.632
  464    H    VAL  59           H        VAL  59   6.386 -15.440  -2.510
  465    HA   VAL  59           HA       VAL  59   6.619 -12.650  -1.598
  466    HB   VAL  59           HB       VAL  59   4.602 -13.128  -0.106
  467   1HG1  VAL  59          HG11      VAL  59   4.583 -11.425  -1.841
  468   2HG1  VAL  59          HG12      VAL  59   4.006 -12.619  -3.036
  469   3HG1  VAL  59          HG13      VAL  59   2.998 -12.176  -1.649
  470   1HG2  VAL  59          HG21      VAL  59   3.867 -15.090  -2.321
  471   2HG2  VAL  59          HG22      VAL  59   4.207 -15.496  -0.619
  472   3HG2  VAL  59          HG23      VAL  59   2.796 -14.507  -1.051
  473    H    ASN  60           H        ASN  60   6.856 -12.560   0.825
  474    HA   ASN  60           HA       ASN  60   7.688 -15.037   2.069
  475   1HB   ASN  60          HB2       ASN  60   9.651 -13.434   0.699
  476   2HB   ASN  60          HB3       ASN  60   9.901 -13.190   2.421
  477   1HD2  ASN  60          HD22      ASN  60   9.121 -15.902   0.132
  478   2HD2  ASN  60          HD21      ASN  60  10.244 -17.034   0.856
  479    H    GLU  61           H        GLU  61   8.524 -14.628   4.354
  480    HA   GLU  61           HA       GLU  61   6.562 -13.138   5.774
  481   1HB   GLU  61          HB2       GLU  61   7.897 -15.063   6.658
  482   2HB   GLU  61          HB3       GLU  61   9.338 -14.038   6.673
  483   1HG   GLU  61          HG2       GLU  61   8.110 -12.476   8.252
  484   2HG   GLU  61          HG3       GLU  61   6.783 -13.636   8.285
  485    H    GLY  62           H        GLY  62   6.340 -10.994   6.037
  486   1HA   GLY  62          HA2       GLY  62   6.911  -8.839   6.557
  487   2HA   GLY  62          HA3       GLY  62   8.631  -9.215   6.393
  488    H    ASP  63           H        ASP  63   7.055 -10.379   3.583
  489    HA   ASP  63           HA       ASP  63   8.056  -8.130   1.988
  490   1HB   ASP  63          HB2       ASP  63   8.261 -10.593   1.358
  491   2HB   ASP  63          HB3       ASP  63   6.515 -10.590   1.078
  492    H    VAL  64           H        VAL  64   6.670  -6.682   0.908
  493    HA   VAL  64           HA       VAL  64   4.298  -6.050   2.406
  494    HB   VAL  64           HB       VAL  64   4.146  -4.167   0.767
  495   1HG1  VAL  64          HG11      VAL  64   6.077  -2.980   1.643
  496   2HG1  VAL  64          HG12      VAL  64   5.319  -3.974   2.900
  497   3HG1  VAL  64          HG13      VAL  64   6.833  -4.511   2.140
  498   1HG2  VAL  64          HG21      VAL  64   5.322  -5.358  -1.163
  499   2HG2  VAL  64          HG22      VAL  64   5.894  -3.714  -0.820
  500   3HG2  VAL  64          HG23      VAL  64   6.846  -5.112  -0.296
  501    H    LEU  65           H        LEU  65   2.140  -5.682   1.587
  502    HA   LEU  65           HA       LEU  65   1.388  -7.321  -0.782
  503   1HB   LEU  65          HB2       LEU  65   1.212  -8.613   1.320
  504   2HB   LEU  65          HB3       LEU  65   0.098  -7.438   1.979
  505    HG   LEU  65           HG       LEU  65  -0.814  -9.630   1.102
  506   1HD1  LEU  65          HD11      LEU  65  -2.893  -8.787   0.341
  507   2HD1  LEU  65          HD12      LEU  65  -2.278  -7.704   1.595
  508   3HD1  LEU  65          HD13      LEU  65  -2.183  -7.242  -0.130
  509   1HD2  LEU  65          HD21      LEU  65  -1.284  -9.930  -1.228
  510   2HD2  LEU  65          HD22      LEU  65  -0.552  -8.376  -1.655
  511   3HD2  LEU  65          HD23      LEU  65   0.463  -9.700  -1.039
  512    H    LEU  66           H        LEU  66   0.282  -4.709   1.548
  513    HA   LEU  66           HA       LEU  66  -1.435  -3.655  -0.631
  514   1HB   LEU  66          HB2       LEU  66  -2.428  -5.442   1.217
  515   2HB   LEU  66          HB3       LEU  66  -2.589  -3.966   2.130
  516    HG   LEU  66           HG       LEU  66  -4.121  -3.039   0.498
  517   1HD1  LEU  66          HD11      LEU  66  -3.341  -3.913  -1.612
  518   2HD1  LEU  66          HD12      LEU  66  -3.562  -5.588  -1.076
  519   3HD1  LEU  66          HD13      LEU  66  -4.964  -4.528  -1.369
  520   1HD2  LEU  66          HD21      LEU  66  -4.967  -4.592   2.276
  521   2HD2  LEU  66          HD22      LEU  66  -5.944  -4.694   0.800
  522   3HD2  LEU  66          HD23      LEU  66  -4.764  -5.961   1.171
  523    H    GLU  67           H        GLU  67  -1.865  -1.454  -0.424
  524    HA   GLU  67           HA       GLU  67  -1.011  -0.087   2.076
  525   1HB   GLU  67          HB2       GLU  67   0.567   0.252   0.065
  526   2HB   GLU  67          HB3       GLU  67  -0.747   1.163  -0.690
  527   1HG   GLU  67          HG2       GLU  67  -0.762   2.682   1.304
  528   2HG   GLU  67          HG3       GLU  67   0.576   1.754   1.995
  529    H    LEU  68           H        LEU  68  -2.486   1.621   2.638
  530    HA   LEU  68           HA       LEU  68  -5.147   1.410   1.303
  531   1HB   LEU  68          HB2       LEU  68  -4.671   1.524   4.297
  532   2HB   LEU  68          HB3       LEU  68  -6.186   1.235   3.461
  533    HG   LEU  68           HG       LEU  68  -3.832  -0.694   3.619
  534   1HD1  LEU  68          HD11      LEU  68  -5.036  -0.379   5.745
  535   2HD1  LEU  68          HD12      LEU  68  -6.568  -0.803   4.954
  536   3HD1  LEU  68          HD13      LEU  68  -5.266  -2.008   5.092
  537   1HD2  LEU  68          HD21      LEU  68  -6.600  -1.093   2.401
  538   2HD2  LEU  68          HD22      LEU  68  -5.048  -1.059   1.526
  539   3HD2  LEU  68          HD23      LEU  68  -5.371  -2.355   2.658
  540    H    SER  69           H        SER  69  -6.386   3.321   1.387
  541    HA   SER  69           HA       SER  69  -5.058   5.805   1.741
  542   1HB   SER  69          HB2       SER  69  -8.052   5.237   1.846
  543   2HB   SER  69          HB3       SER  69  -7.264   6.771   1.424
  544    HG   SER  69           HG       SER  69  -7.885   5.612  -0.439
  545    H    ASN  70           H        ASN  70  -7.025   3.772   3.913
  546    HA   ASN  70           HA       ASN  70  -7.129   5.594   6.124
  547   1HB   ASN  70          HB2       ASN  70  -8.654   3.611   5.757
  548   2HB   ASN  70          HB3       ASN  70  -7.295   2.554   6.182
  549   1HD2  ASN  70          HD22      ASN  70  -8.197   1.695   8.125
  550   2HD2  ASN  70          HD21      ASN  70  -8.506   2.703   9.523
  551    H    SER  71           H        SER  71  -4.391   4.088   4.821
  552    HA   SER  71           HA       SER  71  -2.946   4.271   7.422
  553   1HB   SER  71          HB2       SER  71  -2.273   2.567   5.005
  554   2HB   SER  71          HB3       SER  71  -1.448   2.579   6.577
  555    HG   SER  71           HG       SER  71  -2.957   0.861   6.361
  556    H    THR  72           H        THR  72  -3.568   6.063   4.735
  557    HA   THR  72           HA       THR  72  -0.815   7.111   4.407
  558    HB   THR  72           HB       THR  72  -3.404   7.834   2.973
  559    HG1  THR  72           HG1      THR  72  -2.581   5.662   2.645
  560   1HG2  THR  72          HG21      THR  72  -1.699   9.636   2.784
  561   2HG2  THR  72          HG22      THR  72  -0.482   8.444   2.295
  562   3HG2  THR  72          HG23      THR  72  -1.891   8.788   1.253
  563    H    GLN  73           H        GLN  73  -1.321   7.321   6.928
  564    HA   GLN  73           HA       GLN  73  -1.714  10.122   7.456
  565   1HB   GLN  73          HB2       GLN  73  -3.361   9.827   9.244
  566   2HB   GLN  73          HB3       GLN  73  -4.048   9.444   7.672
  567   1HG   GLN  73          HG2       GLN  73  -3.826   7.019   8.153
  568   2HG   GLN  73          HG3       GLN  73  -3.142   7.386   9.737
  569   1HE2  GLN  73          HE22      GLN  73  -5.771   6.026   8.787
  570   2HE2  GLN  73          HE21      GLN  73  -7.012   6.846   9.699
  571    HN3  BTI 135           HN3      BTL  35  -4.406 -25.746  -2.040
  572    HN2  BTI 135           HN2      BTL  35  -2.524 -25.406  -5.575
  573    H4   BTI 135           H4       BTL  35  -1.272 -24.105  -3.774
  574    H2   BTI 135           H2       BTL  35   0.382 -25.684  -3.196
  575    H62  BTI 135           H62      BTL  35  -0.858 -26.095  -0.928
  576    H63  BTI 135           H63      BTL  35  -2.381 -27.015  -0.929
  577    H5   BTI 135           H5       BTL  35  -2.294 -24.403  -1.697
  578    H72  BTI 135           H72      BTL  35  -0.651 -27.134  -5.638
  579    H73  BTI 135           H73      BTL  35  -0.001 -25.483  -5.743
  580    H82  BTI 135           H82      BTL  35   2.122 -26.152  -4.831
  581    H83  BTI 135           H83      BTL  35   1.509 -27.778  -4.458
  582    H92  BTI 135           H92      BTL  35   1.432 -28.432  -6.713
  583    H93  BTI 135           H93      BTL  35   1.534 -26.773  -7.311
  584   H102  BTI 135          H102      BTL  35   3.633 -28.163  -7.582
  585   H103  BTI 135          H103      BTL  35   3.827 -26.579  -6.833
  Start of MODEL    4
    1   1H    THR   2           H1       THR   2   1.550   0.065   3.731
    2   2H    THR   2           H2       THR   2   2.427  -1.231   4.240
    3   3H    THR   2           H3       THR   2   1.186  -1.441   3.184
    4    HA   THR   2           HA       THR   2   0.991  -0.550   5.967
    5    HB   THR   2           HB       THR   2  -1.333  -1.075   4.096
    6    HG1  THR   2           HG1      THR   2  -0.123   1.370   4.879
    7   1HG2  THR   2          HG21      THR   2  -2.640   0.064   5.847
    8   2HG2  THR   2          HG22      THR   2  -1.903  -1.420   6.462
    9   3HG2  THR   2          HG23      THR   2  -1.192   0.163   6.873
   10    H    VAL   3           H        VAL   3  -0.713  -3.136   3.990
   11    HA   VAL   3           HA       VAL   3  -0.156  -4.976   6.243
   12    HB   VAL   3           HB       VAL   3  -1.692  -5.769   3.770
   13   1HG1  VAL   3          HG11      VAL   3  -1.906  -6.553   6.687
   14   2HG1  VAL   3          HG12      VAL   3  -2.910  -7.190   5.366
   15   3HG1  VAL   3          HG13      VAL   3  -1.179  -7.520   5.385
   16   1HG2  VAL   3          HG21      VAL   3  -2.895  -4.227   6.119
   17   2HG2  VAL   3          HG22      VAL   3  -2.860  -3.690   4.424
   18   3HG2  VAL   3          HG23      VAL   3  -3.827  -5.089   4.876
   19    H    SER   4           H        SER   4   1.011  -6.935   5.860
   20    HA   SER   4           HA       SER   4   2.611  -7.185   3.388
   21   1HB   SER   4          HB2       SER   4   3.694  -7.045   6.244
   22   2HB   SER   4          HB3       SER   4   4.647  -7.476   4.823
   23    HG   SER   4           HG       SER   4   4.828  -5.246   5.435
   24    H    ILE   5           H        ILE   5   3.560  -9.307   3.252
   25    HA   ILE   5           HA       ILE   5   1.861 -11.450   4.275
   26    HB   ILE   5           HB       ILE   5   4.378 -11.433   2.536
   27   1HG1  ILE   5          HG12      ILE   5   2.353 -12.298   0.892
   28   2HG1  ILE   5          HG13      ILE   5   1.437 -11.206   1.913
   29   1HG2  ILE   5          HG21      ILE   5   3.704 -13.764   1.945
   30   2HG2  ILE   5          HG22      ILE   5   4.190 -13.574   3.605
   31   3HG2  ILE   5          HG23      ILE   5   2.450 -13.683   3.205
   32   1HD1  ILE   5          HD11      ILE   5   2.325 -10.127  -0.149
   33   2HD1  ILE   5          HD12      ILE   5   2.985  -9.363   1.302
   34   3HD1  ILE   5          HD13      ILE   5   3.983 -10.487   0.375
   35    H    GLN   6           H        GLN   6   2.760 -13.205   5.565
   36    HA   GLN   6           HA       GLN   6   4.819 -12.298   7.518
   37   1HB   GLN   6          HB2       GLN   6   3.461 -13.091   9.276
   38   2HB   GLN   6          HB3       GLN   6   2.427 -12.091   8.267
   39   1HG   GLN   6          HG2       GLN   6   2.477 -15.157   8.317
   40   2HG   GLN   6          HG3       GLN   6   1.284 -14.125   9.084
   41   1HE2  GLN   6          HE22      GLN   6  -0.388 -13.180   7.792
   42   2HE2  GLN   6          HE21      GLN   6  -0.610 -13.631   6.115
   43    H    MET   7           H        MET   7   4.299 -14.590   5.150
   44    HA   MET   7           HA       MET   7   6.114 -16.547   6.411
   45   1HB   MET   7          HB2       MET   7   3.900 -17.285   7.066
   46   2HB   MET   7          HB3       MET   7   3.273 -17.065   5.434
   47   1HG   MET   7          HG2       MET   7   3.637 -19.414   6.052
   48   2HG   MET   7          HG3       MET   7   4.498 -18.920   4.604
   49   1HE   MET   7          HE1       MET   7   5.035 -21.631   5.805
   50   2HE   MET   7          HE2       MET   7   5.974 -20.956   4.459
   51   3HE   MET   7          HE3       MET   7   6.812 -21.702   5.840
   52    H    ALA   8           H        ALA   8   7.129 -17.891   4.859
   53    HA   ALA   8           HA       ALA   8   7.676 -16.728   2.271
   54   1HB   ALA   8          HB1       ALA   8   9.402 -17.877   3.562
   55   2HB   ALA   8          HB2       ALA   8   8.449 -19.387   3.525
   56   3HB   ALA   8          HB3       ALA   8   9.112 -18.717   2.022
   57    H    GLY   9           H        GLY   9   6.741 -17.202   0.318
   58   1HA   GLY   9          HA2       GLY   9   5.535 -19.669  -0.352
   59   2HA   GLY   9          HA3       GLY   9   4.286 -18.652   0.364
   60    H    ASN  10           H        ASN  10   3.235 -18.830  -1.592
   61    HA   ASN  10           HA       ASN  10   4.064 -16.959  -3.752
   62   1HB   ASN  10          HB2       ASN  10   2.979 -19.802  -4.055
   63   2HB   ASN  10          HB3       ASN  10   3.156 -18.638  -5.369
   64   1HD2  ASN  10          HD21      ASN  10   4.849 -20.945  -3.304
   65   2HD2  ASN  10          HD22      ASN  10   6.440 -20.680  -3.987
   66    H    LEU  11           H        LEU  11   2.339 -15.642  -4.211
   67    HA   LEU  11           HA       LEU  11   0.143 -15.745  -2.347
   68   1HB   LEU  11          HB2       LEU  11   1.592 -13.738  -3.116
   69   2HB   LEU  11          HB3       LEU  11   0.611 -13.727  -4.563
   70    HG   LEU  11           HG       LEU  11  -1.439 -13.442  -3.086
   71   1HD1  LEU  11          HD11      LEU  11   0.691 -13.221  -0.902
   72   2HD1  LEU  11          HD12      LEU  11  -0.944 -12.585  -0.724
   73   3HD1  LEU  11          HD13      LEU  11  -0.709 -14.319  -0.939
   74   1HD2  LEU  11          HD21      LEU  11   0.764 -11.366  -2.711
   75   2HD2  LEU  11          HD22      LEU  11  -0.248 -11.537  -4.165
   76   3HD2  LEU  11          HD23      LEU  11  -0.986 -11.072  -2.626
   77    H    TRP  12           H        TRP  12  -0.501 -17.827  -3.378
   78    HA   TRP  12           HA       TRP  12  -1.510 -18.603  -5.679
   79   1HB   TRP  12          HB2       TRP  12  -1.495 -19.937  -3.711
   80   2HB   TRP  12          HB3       TRP  12  -2.626 -18.887  -2.884
   81    HD1  TRP  12           HD1      TRP  12  -4.117 -19.779  -6.183
   82    HE1  TRP  12           HE1      TRP  12  -5.875 -21.584  -5.882
   83    HE3  TRP  12           HE3      TRP  12  -2.943 -21.237  -1.429
   84    HZ2  TRP  12           HZ2      TRP  12  -6.869 -23.259  -3.733
   85    HZ3  TRP  12           HZ3      TRP  12  -4.334 -22.913  -0.275
   86    HH2  TRP  12           HH2      TRP  12  -6.316 -23.907  -1.389
   87    H    LYS  13           H        LYS  13  -3.587 -16.521  -3.532
   88    HA   LYS  13           HA       LYS  13  -4.878 -15.557  -5.991
   89   1HB   LYS  13          HB2       LYS  13  -6.489 -16.749  -3.693
   90   2HB   LYS  13          HB3       LYS  13  -7.151 -15.684  -4.944
   91   1HG   LYS  13          HG2       LYS  13  -6.356 -17.315  -6.692
   92   2HG   LYS  13          HG3       LYS  13  -5.971 -18.434  -5.380
   93   1HD   LYS  13          HD2       LYS  13  -8.729 -17.316  -6.017
   94   2HD   LYS  13          HD3       LYS  13  -8.132 -18.927  -6.436
   95   1HE   LYS  13          HE2       LYS  13  -7.795 -19.412  -3.999
   96   2HE   LYS  13          HE3       LYS  13  -8.508 -17.840  -3.608
   97   1HZ   LYS  13          HZ1       LYS  13  -9.898 -20.055  -5.017
   98   2HZ   LYS  13          HZ2       LYS  13 -10.149 -19.612  -3.472
   99   3HZ   LYS  13          HZ3       LYS  13 -10.570 -18.606  -4.682
  100    H    VAL  14           H        VAL  14  -6.151 -13.618  -5.573
  101    HA   VAL  14           HA       VAL  14  -5.458 -12.065  -3.183
  102    HB   VAL  14           HB       VAL  14  -4.868 -11.214  -6.056
  103   1HG1  VAL  14          HG11      VAL  14  -5.745  -9.295  -4.797
  104   2HG1  VAL  14          HG12      VAL  14  -4.605  -9.627  -3.463
  105   3HG1  VAL  14          HG13      VAL  14  -4.017  -9.116  -5.061
  106   1HG2  VAL  14          HG21      VAL  14  -3.057 -11.691  -3.653
  107   2HG2  VAL  14          HG22      VAL  14  -3.054 -12.609  -5.171
  108   3HG2  VAL  14          HG23      VAL  14  -2.527 -10.925  -5.164
  109    H    HIS  15           H        HIS  15  -7.064 -10.619  -2.767
  110    HA   HIS  15           HA       HIS  15  -9.595 -10.796  -4.338
  111   1HB   HIS  15          HB2       HIS  15  -9.328 -11.241  -1.336
  112   2HB   HIS  15          HB3       HIS  15 -10.804 -11.350  -2.292
  113    HD1  HIS  15           HD1      HIS  15 -10.601 -13.424  -4.321
  114    HD2  HIS  15           HD2      HIS  15  -8.024 -13.476  -0.996
  115    HE1  HIS  15           HE1      HIS  15  -9.578 -15.755  -4.235
  116    H    VAL  16           H        VAL  16  -7.476  -8.688  -3.808
  117    HA   VAL  16           HA       VAL  16  -9.287  -6.483  -3.000
  118    HB   VAL  16           HB       VAL  16  -7.081  -5.361  -2.274
  119   1HG1  VAL  16          HG11      VAL  16  -8.869  -6.083  -0.758
  120   2HG1  VAL  16          HG12      VAL  16  -8.134  -7.690  -0.637
  121   3HG1  VAL  16          HG13      VAL  16  -7.265  -6.255  -0.020
  122   1HG2  VAL  16          HG21      VAL  16  -5.262  -6.800  -1.475
  123   2HG2  VAL  16          HG22      VAL  16  -6.095  -8.244  -2.019
  124   3HG2  VAL  16          HG23      VAL  16  -5.499  -7.066  -3.206
  125    H    LYS  17           H        LYS  17  -8.808  -4.471  -4.074
  126    HA   LYS  17           HA       LYS  17  -6.984  -4.504  -6.353
  127   1HB   LYS  17          HB2       LYS  17  -9.952  -3.776  -6.613
  128   2HB   LYS  17          HB3       LYS  17  -8.718  -3.481  -7.842
  129   1HG   LYS  17          HG2       LYS  17  -8.309  -5.957  -7.970
  130   2HG   LYS  17          HG3       LYS  17  -9.679  -6.205  -6.876
  131   1HD   LYS  17          HD2       LYS  17  -9.819  -4.859  -9.609
  132   2HD   LYS  17          HD3       LYS  17 -10.266  -6.536  -9.259
  133   1HE   LYS  17          HE2       LYS  17 -12.008  -5.736  -7.665
  134   2HE   LYS  17          HE3       LYS  17 -11.594  -4.062  -8.059
  135   1HZ   LYS  17          HZ1       LYS  17 -12.656  -6.049  -9.983
  136   2HZ   LYS  17          HZ2       LYS  17 -13.496  -4.819  -9.327
  137   3HZ   LYS  17          HZ3       LYS  17 -12.269  -4.504 -10.349
  138    H    ALA  18           H        ALA  18  -6.577  -2.184  -6.984
  139    HA   ALA  18           HA       ALA  18  -6.527  -0.293  -4.866
  140   1HB   ALA  18          HB1       ALA  18  -6.088   1.362  -6.645
  141   2HB   ALA  18          HB2       ALA  18  -5.105  -0.099  -6.867
  142   3HB   ALA  18          HB3       ALA  18  -6.546   0.171  -7.880
  143    H    GLY  19           H        GLY  19  -8.028   1.104  -4.067
  144   1HA   GLY  19          HA2       GLY  19  -9.876   2.440  -3.974
  145   2HA   GLY  19          HA3       GLY  19 -10.426   1.851  -5.548
  146    H    ASP  20           H        ASP  20  -9.869  -1.025  -3.951
  147    HA   ASP  20           HA       ASP  20 -12.688  -1.396  -3.378
  148   1HB   ASP  20          HB2       ASP  20 -11.139  -3.152  -4.294
  149   2HB   ASP  20          HB3       ASP  20 -10.333  -3.200  -2.720
  150    H    GLN  21           H        GLN  21 -13.461  -2.206  -1.238
  151    HA   GLN  21           HA       GLN  21 -12.227  -0.752   1.071
  152   1HB   GLN  21          HB2       GLN  21 -14.617  -0.263   0.630
  153   2HB   GLN  21          HB3       GLN  21 -14.976  -1.983   0.598
  154   1HG   GLN  21          HG2       GLN  21 -15.767  -1.239   2.664
  155   2HG   GLN  21          HG3       GLN  21 -14.308  -2.113   3.053
  156   1HE2  GLN  21          HE22      GLN  21 -12.913  -1.015   4.521
  157   2HE2  GLN  21          HE21      GLN  21 -13.002   0.708   4.799
  158    H    ILE  22           H        ILE  22 -11.430  -1.962   2.774
  159    HA   ILE  22           HA       ILE  22 -12.109  -4.838   2.942
  160    HB   ILE  22           HB       ILE  22  -9.863  -5.405   3.652
  161   1HG1  ILE  22          HG12      ILE  22  -8.987  -2.591   2.867
  162   2HG1  ILE  22          HG13      ILE  22  -9.111  -3.206   4.522
  163   1HG2  ILE  22          HG21      ILE  22  -9.776  -4.077   0.918
  164   2HG2  ILE  22          HG22      ILE  22  -8.813  -5.448   1.496
  165   3HG2  ILE  22          HG23      ILE  22 -10.552  -5.634   1.275
  166   1HD1  ILE  22          HD11      ILE  22  -6.824  -3.342   3.927
  167   2HD1  ILE  22          HD12      ILE  22  -7.421  -5.002   3.866
  168   3HD1  ILE  22          HD13      ILE  22  -7.173  -4.096   2.357
  169    H    GLU  23           H        GLU  23 -11.626  -5.682   5.178
  170    HA   GLU  23           HA       GLU  23 -12.237  -3.683   7.246
  171   1HB   GLU  23          HB2       GLU  23 -14.380  -4.389   6.136
  172   2HB   GLU  23          HB3       GLU  23 -14.009  -6.070   6.551
  173   1HG   GLU  23          HG2       GLU  23 -13.994  -5.460   8.957
  174   2HG   GLU  23          HG3       GLU  23 -14.302  -3.774   8.530
  175    H    LYS  24           H        LYS  24 -11.414  -4.457   9.231
  176    HA   LYS  24           HA       LYS  24  -9.257  -6.173   9.144
  177   1HB   LYS  24          HB2       LYS  24  -9.761  -4.502  10.907
  178   2HB   LYS  24          HB3       LYS  24 -10.997  -5.568  11.578
  179   1HG   LYS  24          HG2       LYS  24  -9.314  -7.265  12.112
  180   2HG   LYS  24          HG3       LYS  24  -8.067  -6.353  11.248
  181   1HD   LYS  24          HD2       LYS  24  -8.386  -4.459  12.871
  182   2HD   LYS  24          HD3       LYS  24  -9.508  -5.465  13.793
  183   1HE   LYS  24          HE2       LYS  24  -6.582  -6.130  13.204
  184   2HE   LYS  24          HE3       LYS  24  -7.160  -5.386  14.693
  185   1HZ   LYS  24          HZ1       LYS  24  -8.472  -7.386  15.120
  186   2HZ   LYS  24          HZ2       LYS  24  -7.902  -8.098  13.758
  187   3HZ   LYS  24          HZ3       LYS  24  -6.891  -7.745  14.983
  188    H    GLY  25           H        GLY  25  -8.975  -8.305   8.977
  189   1HA   GLY  25          HA2       GLY  25  -9.303 -10.554   9.437
  190   2HA   GLY  25          HA3       GLY  25 -10.889 -10.215  10.126
  191    H    GLN  26           H        GLN  26 -10.929  -8.646   7.114
  192    HA   GLN  26           HA       GLN  26 -12.470 -10.742   5.811
  193   1HB   GLN  26          HB2       GLN  26 -12.800  -8.211   5.499
  194   2HB   GLN  26          HB3       GLN  26 -11.248  -8.197   4.652
  195   1HG   GLN  26          HG2       GLN  26 -12.452 -10.125   3.190
  196   2HG   GLN  26          HG3       GLN  26 -13.903  -9.362   3.810
  197   1HE2  GLN  26          HE22      GLN  26 -11.263  -9.164   1.551
  198   2HE2  GLN  26          HE21      GLN  26 -11.716  -7.628   0.826
  199    H    GLU  27           H        GLU  27 -11.641 -12.125   4.210
  200    HA   GLU  27           HA       GLU  27  -8.808 -12.597   3.945
  201   1HB   GLU  27          HB2       GLU  27 -10.622 -14.275   3.614
  202   2HB   GLU  27          HB3       GLU  27 -11.112 -13.435   2.138
  203   1HG   GLU  27          HG2       GLU  27  -8.942 -13.930   1.101
  204   2HG   GLU  27          HG3       GLU  27  -8.343 -14.617   2.614
  205    H    VAL  28           H        VAL  28  -7.349 -11.554   2.681
  206    HA   VAL  28           HA       VAL  28  -8.325  -9.889   0.422
  207    HB   VAL  28           HB       VAL  28  -6.388  -8.407   0.908
  208   1HG1  VAL  28          HG11      VAL  28  -8.730  -7.909   1.680
  209   2HG1  VAL  28          HG12      VAL  28  -8.341  -8.643   3.238
  210   3HG1  VAL  28          HG13      VAL  28  -7.471  -7.189   2.701
  211   1HG2  VAL  28          HG21      VAL  28  -6.218  -9.863   3.576
  212   2HG2  VAL  28          HG22      VAL  28  -4.994  -9.945   2.291
  213   3HG2  VAL  28          HG23      VAL  28  -5.325  -8.410   3.108
  214    H    ALA  29           H        ALA  29  -6.073 -12.443   1.492
  215    HA   ALA  29           HA       ALA  29  -5.662 -13.052  -1.296
  216   1HB   ALA  29          HB1       ALA  29  -3.232 -12.264   0.392
  217   2HB   ALA  29          HB2       ALA  29  -3.190 -13.006  -1.218
  218   3HB   ALA  29          HB3       ALA  29  -3.852 -11.384  -1.016
  219    H    ILE  30           H        ILE  30  -4.059 -15.044  -1.336
  220    HA   ILE  30           HA       ILE  30  -4.202 -16.647   1.157
  221    HB   ILE  30           HB       ILE  30  -4.950 -17.778  -1.574
  222   1HG1  ILE  30          HG12      ILE  30  -6.788 -17.184   0.790
  223   2HG1  ILE  30          HG13      ILE  30  -6.791 -16.366  -0.776
  224   1HG2  ILE  30          HG21      ILE  30  -4.942 -19.031   1.216
  225   2HG2  ILE  30          HG22      ILE  30  -5.481 -19.841  -0.280
  226   3HG2  ILE  30          HG23      ILE  30  -3.811 -19.392  -0.105
  227   1HD1  ILE  30          HD11      ILE  30  -7.274 -18.626  -1.848
  228   2HD1  ILE  30          HD12      ILE  30  -7.635 -19.216  -0.209
  229   3HD1  ILE  30          HD13      ILE  30  -8.581 -17.883  -0.891
  230    H    LEU  31           H        LEU  31  -2.382 -17.888   1.430
  231    HA   LEU  31           HA       LEU  31  -0.202 -17.717  -0.596
  232   1HB   LEU  31          HB2       LEU  31  -0.303 -18.512   2.328
  233   2HB   LEU  31          HB3       LEU  31   1.110 -18.813   1.333
  234    HG   LEU  31           HG       LEU  31  -0.035 -16.065   1.914
  235   1HD1  LEU  31          HD11      LEU  31   1.942 -15.835   3.387
  236   2HD1  LEU  31          HD12      LEU  31   1.003 -17.236   3.894
  237   3HD1  LEU  31          HD13      LEU  31   2.487 -17.463   2.951
  238   1HD2  LEU  31          HD21      LEU  31   2.124 -15.267   1.000
  239   2HD2  LEU  31          HD22      LEU  31   2.493 -16.921   0.458
  240   3HD2  LEU  31          HD23      LEU  31   1.113 -16.032  -0.227
  241    H    GLU  32           H        GLU  32   0.248 -19.424  -1.673
  242    HA   GLU  32           HA       GLU  32  -0.143 -22.142  -0.579
  243   1HB   GLU  32          HB2       GLU  32  -0.345 -22.151  -2.983
  244   2HB   GLU  32          HB3       GLU  32   0.984 -21.022  -3.195
  245   1HG   GLU  32          HG2       GLU  32   1.655 -23.636  -1.859
  246   2HG   GLU  32          HG3       GLU  32   1.177 -23.700  -3.547
  247    H    SER  33           H        SER  33   1.512 -22.792   0.678
  248    HA   SER  33           HA       SER  33   4.097 -21.309   0.660
  249   1HB   SER  33          HB2       SER  33   2.167 -21.845   2.912
  250   2HB   SER  33          HB3       SER  33   3.910 -21.856   3.235
  251    HG   SER  33           HG       SER  33   4.061 -19.774   2.543
  252    H    MET  34           H        MET  34   4.636 -23.026  -0.776
  253    HA   MET  34           HA       MET  34   5.518 -25.017  -1.320
  254   1HB   MET  34          HB2       MET  34   6.415 -25.097   1.595
  255   2HB   MET  34          HB3       MET  34   7.072 -26.047   0.260
  256   1HG   MET  34          HG2       MET  34   8.599 -24.310   0.461
  257   2HG   MET  34          HG3       MET  34   7.599 -23.833  -0.904
  258   1HE   MET  34          HE1       MET  34   9.372 -21.631  -0.041
  259   2HE   MET  34          HE2       MET  34   7.969 -21.343  -1.098
  260   3HE   MET  34          HE3       MET  34   8.273 -20.270   0.283
  261    H    LYS  35           H        BTL  35   2.922 -25.092  -1.044
  262    HA   LYS  35           HA       BTL  35   1.301 -26.479  -1.387
  263   1HB   LYS  35          HB2       BTL  35   2.758 -28.806  -0.091
  264   2HB   LYS  35          HB3       BTL  35   1.322 -28.850  -1.110
  265   1HG   LYS  35          HG2       BTL  35   2.728 -27.767  -2.952
  266   2HG   LYS  35          HG3       BTL  35   4.149 -28.130  -1.959
  267   1HD   LYS  35          HD2       BTL  35   3.426 -30.556  -1.929
  268   2HD   LYS  35          HD3       BTL  35   2.148 -30.138  -3.080
  269   1HE   LYS  35          HE2       BTL  35   5.156 -29.899  -3.510
  270   2HE   LYS  35          HE3       BTL  35   4.073 -31.073  -4.272
  271   1HZ   LYS  35          HZ1       BTL  35   4.331 -28.191  -4.852
  272    H    MET  36           H        MET  36   2.063 -25.182   1.489
  273    HA   MET  36           HA       MET  36  -0.266 -26.322   2.938
  274   1HB   MET  36          HB2       MET  36   1.716 -24.139   3.702
  275   2HB   MET  36          HB3       MET  36   0.430 -24.785   4.723
  276   1HG   MET  36          HG2       MET  36   1.470 -27.031   4.623
  277   2HG   MET  36          HG3       MET  36   2.792 -26.385   3.651
  278   1HE   MET  36          HE1       MET  36   3.578 -23.614   4.977
  279   2HE   MET  36          HE2       MET  36   4.812 -24.182   6.120
  280   3HE   MET  36          HE3       MET  36   4.713 -24.895   4.494
  281    H    GLU  37           H        GLU  37  -2.170 -25.177   3.118
  282    HA   GLU  37           HA       GLU  37  -2.608 -22.723   1.525
  283   1HB   GLU  37          HB2       GLU  37  -4.326 -24.475   1.485
  284   2HB   GLU  37          HB3       GLU  37  -4.359 -24.548   3.245
  285   1HG   GLU  37          HG2       GLU  37  -5.261 -22.223   3.329
  286   2HG   GLU  37          HG3       GLU  37  -5.256 -22.165   1.572
  287    H    ILE  38           H        ILE  38  -2.396 -20.685   2.529
  288    HA   ILE  38           HA       ILE  38  -3.087 -20.559   5.417
  289    HB   ILE  38           HB       ILE  38  -0.760 -19.012   4.286
  290   1HG1  ILE  38          HG12      ILE  38  -0.582 -21.547   5.960
  291   2HG1  ILE  38          HG13      ILE  38  -0.120 -21.396   4.259
  292   1HG2  ILE  38          HG21      ILE  38  -0.320 -18.434   6.610
  293   2HG2  ILE  38          HG22      ILE  38  -1.989 -18.047   6.238
  294   3HG2  ILE  38          HG23      ILE  38  -1.619 -19.517   7.161
  295   1HD1  ILE  38          HD11      ILE  38   1.578 -19.683   4.898
  296   2HD1  ILE  38          HD12      ILE  38   1.255 -20.078   6.606
  297   3HD1  ILE  38          HD13      ILE  38   1.877 -21.322   5.512
  298    HA   PRO  39           HA       PRO  39  -5.687 -17.365   3.358
  299   1HB   PRO  39          HB2       PRO  39  -6.460 -16.919   6.238
  300   2HB   PRO  39          HB3       PRO  39  -7.511 -17.078   4.804
  301   1HG   PRO  39          HG2       PRO  39  -7.252 -19.136   6.579
  302   2HG   PRO  39          HG3       PRO  39  -7.339 -19.447   4.816
  303   1HD   PRO  39          HD2       PRO  39  -4.879 -19.352   6.581
  304   2HD   PRO  39          HD3       PRO  39  -5.307 -20.520   5.290
  305    H    ILE  40           H        ILE  40  -5.341 -15.099   3.228
  306    HA   ILE  40           HA       ILE  40  -3.650 -13.837   5.326
  307    HB   ILE  40           HB       ILE  40  -3.657 -13.103   2.388
  308   1HG1  ILE  40          HG12      ILE  40  -2.741 -15.359   2.482
  309   2HG1  ILE  40          HG13      ILE  40  -1.510 -14.192   2.078
  310   1HG2  ILE  40          HG21      ILE  40  -2.950 -11.292   3.832
  311   2HG2  ILE  40          HG22      ILE  40  -1.807 -12.346   4.688
  312   3HG2  ILE  40          HG23      ILE  40  -1.536 -11.937   2.983
  313   1HD1  ILE  40          HD11      ILE  40  -1.129 -16.137   3.888
  314   2HD1  ILE  40          HD12      ILE  40  -0.326 -14.550   4.021
  315   3HD1  ILE  40          HD13      ILE  40  -1.754 -14.925   4.997
  316    H    VAL  41           H        VAL  41  -4.776 -12.369   6.363
  317    HA   VAL  41           HA       VAL  41  -7.285 -11.350   5.163
  318    HB   VAL  41           HB       VAL  41  -8.048 -11.316   7.599
  319   1HG1  VAL  41          HG11      VAL  41  -9.027 -12.915   6.084
  320   2HG1  VAL  41          HG12      VAL  41  -7.608 -13.982   6.172
  321   3HG1  VAL  41          HG13      VAL  41  -8.670 -13.758   7.579
  322   1HG2  VAL  41          HG21      VAL  41  -5.915 -13.487   7.963
  323   2HG2  VAL  41          HG22      VAL  41  -5.742 -11.824   8.602
  324   3HG2  VAL  41          HG23      VAL  41  -7.053 -12.868   9.168
  325    H    ALA  42           H        ALA  42  -7.961  -9.274   5.811
  326    HA   ALA  42           HA       ALA  42  -5.967  -7.299   5.671
  327   1HB   ALA  42          HB1       ALA  42  -7.856  -5.746   6.137
  328   2HB   ALA  42          HB2       ALA  42  -8.322  -6.977   4.944
  329   3HB   ALA  42          HB3       ALA  42  -8.853  -7.125   6.625
  330    H    ASP  43           H        ASP  43  -4.527  -6.923   7.215
  331    HA   ASP  43           HA       ASP  43  -4.723  -7.418   9.979
  332   1HB   ASP  43          HB2       ASP  43  -2.602  -6.949   8.867
  333   2HB   ASP  43          HB3       ASP  43  -3.110  -5.291   8.524
  334    H    ARG  44           H        ARG  44  -5.985  -4.664   8.131
  335    HA   ARG  44           HA       ARG  44  -7.563  -3.824  10.400
  336   1HB   ARG  44          HB2       ARG  44  -6.767  -1.551  10.543
  337   2HB   ARG  44          HB3       ARG  44  -5.420  -2.645  10.826
  338   1HG   ARG  44          HG2       ARG  44  -4.838  -2.277   8.294
  339   2HG   ARG  44          HG3       ARG  44  -5.990  -0.935   8.385
  340   1HD   ARG  44          HD2       ARG  44  -4.514  -0.366  10.591
  341   2HD   ARG  44          HD3       ARG  44  -3.310  -1.299   9.710
  342    HE   ARG  44           HE       ARG  44  -3.104   0.414   8.158
  343   1HH1  ARG  44          HH21      ARG  44  -5.901   1.109  10.267
  344   2HH1  ARG  44          HH22      ARG  44  -6.115   2.713   9.630
  345   1HH2  ARG  44          HH11      ARG  44  -3.477   2.590   7.334
  346   2HH2  ARG  44          HH12      ARG  44  -4.726   3.545   8.092
  347    H    SER  45           H        SER  45  -9.243  -2.275   9.714
  348    HA   SER  45           HA       SER  45 -10.211  -2.718   7.060
  349   1HB   SER  45          HB2       SER  45 -11.031  -0.625   9.123
  350   2HB   SER  45          HB3       SER  45 -12.033  -1.277   7.811
  351    HG   SER  45           HG       SER  45 -12.383  -2.205   9.950
  352    H    GLY  46           H        GLY  46 -10.577  -1.097   5.384
  353   1HA   GLY  46          HA2       GLY  46 -10.186   1.589   5.483
  354   2HA   GLY  46          HA3       GLY  46  -8.550   0.998   5.152
  355    H    ILE  47           H        ILE  47  -9.415   2.552   3.244
  356    HA   ILE  47           HA       ILE  47 -10.534   0.907   1.038
  357    HB   ILE  47           HB       ILE  47  -9.600   3.805   1.196
  358   1HG1  ILE  47          HG12      ILE  47 -11.769   3.429   2.317
  359   2HG1  ILE  47          HG13      ILE  47 -11.894   4.465   0.909
  360   1HG2  ILE  47          HG21      ILE  47 -10.675   2.258  -1.194
  361   2HG2  ILE  47          HG22      ILE  47 -10.587   4.034  -1.113
  362   3HG2  ILE  47          HG23      ILE  47  -9.109   3.075  -1.036
  363   1HD1  ILE  47          HD11      ILE  47 -12.848   2.597  -0.419
  364   2HD1  ILE  47          HD12      ILE  47 -12.692   1.525   0.992
  365   3HD1  ILE  47          HD13      ILE  47 -13.787   2.917   1.042
  366    H    VAL  48           H        VAL  48  -9.152  -0.021  -0.442
  367    HA   VAL  48           HA       VAL  48  -6.311  -0.167   0.135
  368    HB   VAL  48           HB       VAL  48  -7.982  -1.110  -2.231
  369   1HG1  VAL  48          HG11      VAL  48  -5.676  -0.974  -2.942
  370   2HG1  VAL  48          HG12      VAL  48  -5.095  -1.665  -1.428
  371   3HG1  VAL  48          HG13      VAL  48  -6.006  -2.667  -2.592
  372   1HG2  VAL  48          HG21      VAL  48  -7.804  -3.361  -1.206
  373   2HG2  VAL  48          HG22      VAL  48  -7.011  -2.649   0.218
  374   3HG2  VAL  48          HG23      VAL  48  -8.692  -2.243  -0.173
  375    H    LYS  49           H        LYS  49  -4.747   1.183  -0.645
  376    HA   LYS  49           HA       LYS  49  -5.444   3.226  -2.686
  377   1HB   LYS  49          HB2       LYS  49  -4.174   3.940  -0.680
  378   2HB   LYS  49          HB3       LYS  49  -2.929   2.740  -1.035
  379   1HG   LYS  49          HG2       LYS  49  -2.535   3.943  -3.248
  380   2HG   LYS  49          HG3       LYS  49  -3.648   5.207  -2.675
  381   1HD   LYS  49          HD2       LYS  49  -2.194   5.582  -0.703
  382   2HD   LYS  49          HD3       LYS  49  -1.171   4.218  -1.211
  383   1HE   LYS  49          HE2       LYS  49  -0.563   5.411  -3.279
  384   2HE   LYS  49          HE3       LYS  49  -1.538   6.804  -2.780
  385   1HZ   LYS  49          HZ1       LYS  49   0.700   5.718  -1.162
  386   2HZ   LYS  49          HZ2       LYS  49   0.889   6.947  -2.247
  387   3HZ   LYS  49          HZ3       LYS  49  -0.075   7.150  -0.946
  388    H    GLU  50           H        GLU  50  -3.205   0.403  -2.026
  389    HA   GLU  50           HA       GLU  50  -3.010  -0.084  -4.920
  390   1HB   GLU  50          HB2       GLU  50  -1.235   1.667  -4.126
  391   2HB   GLU  50          HB3       GLU  50  -0.495   0.326  -3.239
  392   1HG   GLU  50          HG2       GLU  50  -0.095  -0.889  -5.293
  393   2HG   GLU  50          HG3       GLU  50  -1.091   0.245  -6.218
  394    H    VAL  51           H        VAL  51  -2.239  -2.239  -5.325
  395    HA   VAL  51           HA       VAL  51  -1.903  -3.984  -2.930
  396    HB   VAL  51           HB       VAL  51  -2.767  -4.923  -5.691
  397   1HG1  VAL  51          HG11      VAL  51  -3.433  -6.935  -4.468
  398   2HG1  VAL  51          HG12      VAL  51  -1.741  -6.584  -4.115
  399   3HG1  VAL  51          HG13      VAL  51  -2.984  -6.192  -2.916
  400   1HG2  VAL  51          HG21      VAL  51  -4.605  -4.323  -3.339
  401   2HG2  VAL  51          HG22      VAL  51  -4.593  -3.461  -4.894
  402   3HG2  VAL  51          HG23      VAL  51  -5.062  -5.159  -4.836
  403    H    LYS  52           H        LYS  52   0.168  -4.700  -2.743
  404    HA   LYS  52           HA       LYS  52   2.103  -3.698  -4.698
  405   1HB   LYS  52          HB2       LYS  52   2.439  -5.188  -2.054
  406   2HB   LYS  52          HB3       LYS  52   3.728  -4.409  -2.960
  407   1HG   LYS  52          HG2       LYS  52   1.344  -2.923  -1.756
  408   2HG   LYS  52          HG3       LYS  52   2.931  -3.076  -1.016
  409   1HD   LYS  52          HD2       LYS  52   3.961  -1.914  -2.969
  410   2HD   LYS  52          HD3       LYS  52   2.328  -1.679  -3.655
  411   1HE   LYS  52          HE2       LYS  52   1.634  -0.458  -1.670
  412   2HE   LYS  52          HE3       LYS  52   3.215  -0.704  -0.907
  413   1HZ   LYS  52          HZ1       LYS  52   2.724   0.823  -3.400
  414   2HZ   LYS  52          HZ2       LYS  52   2.970   1.470  -1.904
  415   3HZ   LYS  52          HZ3       LYS  52   4.189   0.652  -2.655
  416    H    LYS  53           H        LYS  53   0.351  -6.519  -4.681
  417    HA   LYS  53           HA       LYS  53   2.379  -8.104  -6.106
  418   1HB   LYS  53          HB2       LYS  53   0.865  -9.057  -3.625
  419   2HB   LYS  53          HB3       LYS  53   1.801 -10.116  -4.692
  420   1HG   LYS  53          HG2       LYS  53   3.043  -7.839  -3.089
  421   2HG   LYS  53          HG3       LYS  53   2.922  -9.508  -2.550
  422   1HD   LYS  53          HD2       LYS  53   4.206 -10.283  -4.500
  423   2HD   LYS  53          HD3       LYS  53   4.374  -8.605  -5.083
  424   1HE   LYS  53          HE2       LYS  53   5.675  -7.982  -3.173
  425   2HE   LYS  53          HE3       LYS  53   5.248  -9.463  -2.318
  426   1HZ   LYS  53          HZ1       LYS  53   7.383  -9.749  -3.068
  427   2HZ   LYS  53          HZ2       LYS  53   6.498 -10.705  -4.032
  428   3HZ   LYS  53          HZ3       LYS  53   7.071  -9.267  -4.627
  429    H    LYS  54           H        LYS  54   1.073 -10.267  -6.752
  430    HA   LYS  54           HA       LYS  54  -1.766  -9.772  -7.265
  431   1HB   LYS  54          HB2       LYS  54  -1.565 -10.177  -9.670
  432   2HB   LYS  54          HB3       LYS  54  -0.697  -8.715  -9.211
  433   1HG   LYS  54          HG2       LYS  54   1.460  -9.951  -9.300
  434   2HG   LYS  54          HG3       LYS  54   0.595 -11.437  -9.733
  435   1HD   LYS  54          HD2       LYS  54  -0.245 -10.349 -11.798
  436   2HD   LYS  54          HD3       LYS  54   0.631  -8.862 -11.366
  437   1HE   LYS  54          HE2       LYS  54   2.775 -10.124 -11.400
  438   2HE   LYS  54          HE3       LYS  54   1.903 -11.600 -11.831
  439   1HZ   LYS  54          HZ1       LYS  54   2.036  -9.154 -13.499
  440   2HZ   LYS  54          HZ2       LYS  54   2.852 -10.536 -13.775
  441   3HZ   LYS  54          HZ3       LYS  54   1.229 -10.519 -13.898
  442    H    GLU  55           H        GLU  55  -2.740 -11.778  -8.215
  443    HA   GLU  55           HA       GLU  55  -2.231 -14.122  -6.904
  444   1HB   GLU  55          HB2       GLU  55  -3.203 -13.937  -9.789
  445   2HB   GLU  55          HB3       GLU  55  -3.378 -15.306  -8.696
  446   1HG   GLU  55          HG2       GLU  55  -5.421 -14.427  -8.351
  447   2HG   GLU  55          HG3       GLU  55  -4.564 -13.490  -7.143
  448    H    GLY  56           H        GLY  56  -0.537 -15.407  -6.747
  449   1HA   GLY  56          HA2       GLY  56   0.940 -17.019  -7.461
  450   2HA   GLY  56          HA3       GLY  56   0.791 -16.454  -9.130
  451    H    ASP  57           H        ASP  57   1.485 -13.708  -7.189
  452    HA   ASP  57           HA       ASP  57   4.226 -13.596  -8.105
  453   1HB   ASP  57          HB2       ASP  57   2.594 -11.633  -7.425
  454   2HB   ASP  57          HB3       ASP  57   3.187 -11.940  -5.805
  455    H    PHE  58           H        PHE  58   6.090 -13.496  -6.609
  456    HA   PHE  58           HA       PHE  58   6.024 -15.697  -4.611
  457   1HB   PHE  58          HB2       PHE  58   7.896 -15.623  -6.227
  458   2HB   PHE  58          HB3       PHE  58   8.295 -13.990  -5.705
  459    HD1  PHE  58           HD1      PHE  58   9.732 -13.628  -3.817
  460    HD2  PHE  58           HD2      PHE  58   8.018 -17.533  -4.487
  461    HE1  PHE  58           HE1      PHE  58  11.178 -14.574  -2.035
  462    HE2  PHE  58           HE2      PHE  58   9.466 -18.471  -2.705
  463    HZ   PHE  58           HZ       PHE  58  11.060 -16.999  -1.487
  464    H    VAL  59           H        VAL  59   6.348 -15.263  -2.391
  465    HA   VAL  59           HA       VAL  59   6.552 -12.463  -1.494
  466    HB   VAL  59           HB       VAL  59   4.496 -12.928  -0.037
  467   1HG1  VAL  59          HG11      VAL  59   2.940 -12.034  -1.646
  468   2HG1  VAL  59          HG12      VAL  59   4.531 -11.291  -1.857
  469   3HG1  VAL  59          HG13      VAL  59   3.964 -12.535  -3.002
  470   1HG2  VAL  59          HG21      VAL  59   3.854 -14.950  -2.235
  471   2HG2  VAL  59          HG22      VAL  59   4.184 -15.328  -0.527
  472   3HG2  VAL  59          HG23      VAL  59   2.756 -14.374  -0.987
  473    H    ASN  60           H        ASN  60   6.808 -12.341   0.899
  474    HA   ASN  60           HA       ASN  60   7.668 -14.797   2.168
  475   1HB   ASN  60          HB2       ASN  60   9.593 -13.259   0.693
  476   2HB   ASN  60          HB3       ASN  60   9.896 -12.931   2.393
  477   1HD2  ASN  60          HD22      ASN  60   9.076 -15.717   0.223
  478   2HD2  ASN  60          HD21      ASN  60  10.185 -16.839   0.982
  479    H    GLU  61           H        GLU  61   8.665 -14.323   4.365
  480    HA   GLU  61           HA       GLU  61   6.816 -12.855   5.938
  481   1HB   GLU  61          HB2       GLU  61   8.245 -14.734   6.722
  482   2HB   GLU  61          HB3       GLU  61   9.681 -13.720   6.541
  483   1HG   GLU  61          HG2       GLU  61   8.685 -12.120   8.222
  484   2HG   GLU  61          HG3       GLU  61   7.334 -13.234   8.420
  485    H    GLY  62           H        GLY  62   6.512 -10.703   5.905
  486   1HA   GLY  62          HA2       GLY  62   7.053  -8.526   6.411
  487   2HA   GLY  62          HA3       GLY  62   8.780  -8.874   6.257
  488    H    ASP  63           H        ASP  63   7.159 -10.136   3.489
  489    HA   ASP  63           HA       ASP  63   8.102  -7.922   1.812
  490   1HB   ASP  63          HB2       ASP  63   8.260 -10.405   1.220
  491   2HB   ASP  63          HB3       ASP  63   6.507 -10.383   1.009
  492    H    VAL  64           H        VAL  64   6.621  -6.584   0.646
  493    HA   VAL  64           HA       VAL  64   4.352  -5.844   2.287
  494    HB   VAL  64           HB       VAL  64   4.115  -4.036   0.566
  495   1HG1  VAL  64          HG11      VAL  64   6.076  -2.798   1.312
  496   2HG1  VAL  64          HG12      VAL  64   5.365  -3.729   2.641
  497   3HG1  VAL  64          HG13      VAL  64   6.854  -4.304   1.855
  498   1HG2  VAL  64          HG21      VAL  64   5.815  -3.635  -1.092
  499   2HG2  VAL  64          HG22      VAL  64   6.773  -5.027  -0.560
  500   3HG2  VAL  64          HG23      VAL  64   5.213  -5.281  -1.361
  501    H    LEU  65           H        LEU  65   2.166  -5.595   1.626
  502    HA   LEU  65           HA       LEU  65   1.298  -7.362  -0.631
  503   1HB   LEU  65          HB2       LEU  65   0.995  -8.471   1.584
  504   2HB   LEU  65          HB3       LEU  65   0.085  -7.085   2.149
  505    HG   LEU  65           HG       LEU  65  -1.676  -7.531   0.444
  506   1HD1  LEU  65          HD11      LEU  65  -0.088 -10.076  -0.116
  507   2HD1  LEU  65          HD12      LEU  65  -1.725  -9.711  -0.701
  508   3HD1  LEU  65          HD13      LEU  65  -0.364  -8.742  -1.263
  509   1HD2  LEU  65          HD21      LEU  65  -2.572  -9.539   1.581
  510   2HD2  LEU  65          HD22      LEU  65  -0.975  -9.812   2.317
  511   3HD2  LEU  65          HD23      LEU  65  -1.909  -8.358   2.721
  512    H    LEU  66           H        LEU  66   0.397  -4.565   1.526
  513    HA   LEU  66           HA       LEU  66  -1.381  -3.508  -0.615
  514   1HB   LEU  66          HB2       LEU  66  -2.091  -4.542   2.131
  515   2HB   LEU  66          HB3       LEU  66  -2.953  -3.152   1.553
  516    HG   LEU  66           HG       LEU  66  -2.872  -5.678  -0.127
  517   1HD1  LEU  66          HD11      LEU  66  -3.670  -6.349   2.107
  518   2HD1  LEU  66          HD12      LEU  66  -4.827  -5.002   2.117
  519   3HD1  LEU  66          HD13      LEU  66  -5.003  -6.330   0.950
  520   1HD2  LEU  66          HD21      LEU  66  -5.047  -4.698  -0.910
  521   2HD2  LEU  66          HD22      LEU  66  -4.779  -3.321   0.160
  522   3HD2  LEU  66          HD23      LEU  66  -3.673  -3.626  -1.196
  523    H    GLU  67           H        GLU  67  -1.761  -1.341  -0.412
  524    HA   GLU  67           HA       GLU  67  -0.724   0.118   1.957
  525   1HB   GLU  67          HB2       GLU  67   0.733   0.362  -0.148
  526   2HB   GLU  67          HB3       GLU  67  -0.627   1.205  -0.896
  527   1HG   GLU  67          HG2       GLU  67  -0.557   2.872   0.961
  528   2HG   GLU  67          HG3       GLU  67   0.802   1.994   1.681
  529    H    LEU  68           H        LEU  68  -2.260   1.526   2.737
  530    HA   LEU  68           HA       LEU  68  -4.935   1.314   1.409
  531   1HB   LEU  68          HB2       LEU  68  -4.355   1.481   4.379
  532   2HB   LEU  68          HB3       LEU  68  -5.904   1.235   3.601
  533    HG   LEU  68           HG       LEU  68  -3.612  -0.756   3.668
  534   1HD1  LEU  68          HD11      LEU  68  -4.899  -0.478   5.804
  535   2HD1  LEU  68          HD12      LEU  68  -6.376  -0.931   4.937
  536   3HD1  LEU  68          HD13      LEU  68  -5.037  -2.093   5.098
  537   1HD2  LEU  68          HD21      LEU  68  -5.165  -2.362   2.627
  538   2HD2  LEU  68          HD22      LEU  68  -6.362  -1.064   2.398
  539   3HD2  LEU  68          HD23      LEU  68  -4.797  -1.029   1.547
  540    H    SER  69           H        SER  69  -6.092   3.199   1.192
  541    HA   SER  69           HA       SER  69  -4.777   5.689   1.267
  542   1HB   SER  69          HB2       SER  69  -7.767   5.182   1.376
  543   2HB   SER  69          HB3       SER  69  -6.930   6.576   0.663
  544    HG   SER  69           HG       SER  69  -7.516   5.138  -0.967
  545    H    ASN  70           H        ASN  70  -6.638   3.956   3.705
  546    HA   ASN  70           HA       ASN  70  -7.177   6.026   5.556
  547   1HB   ASN  70          HB2       ASN  70  -8.068   3.699   5.658
  548   2HB   ASN  70          HB3       ASN  70  -6.468   3.107   6.105
  549   1HD2  ASN  70          HD22      ASN  70  -9.437   4.422   7.315
  550   2HD2  ASN  70          HD21      ASN  70  -8.911   4.639   8.961
  551    H    SER  71           H        SER  71  -4.144   4.207   4.898
  552    HA   SER  71           HA       SER  71  -2.725   5.116   7.216
  553   1HB   SER  71          HB2       SER  71  -1.600   4.119   4.575
  554   2HB   SER  71          HB3       SER  71  -0.860   4.011   6.178
  555    HG   SER  71           HG       SER  71  -1.955   2.081   5.281
  556    H    THR  72           H        THR  72  -3.550   6.738   4.239
  557    HA   THR  72           HA       THR  72  -1.282   8.637   4.550
  558    HB   THR  72           HB       THR  72  -1.475   8.837   2.041
  559    HG1  THR  72           HG1      THR  72  -3.498   7.935   1.698
  560   1HG2  THR  72          HG21      THR  72   0.261   7.424   3.147
  561   2HG2  THR  72          HG22      THR  72  -0.836   6.028   3.046
  562   3HG2  THR  72          HG23      THR  72  -0.238   6.800   1.568
  563    H    GLN  73           H        GLN  73  -4.209   8.636   5.574
  564    HA   GLN  73           HA       GLN  73  -5.568  10.883   4.467
  565   1HB   GLN  73          HB2       GLN  73  -5.421   9.783   7.309
  566   2HB   GLN  73          HB3       GLN  73  -6.505  11.083   6.812
  567   1HG   GLN  73          HG2       GLN  73  -7.667   9.625   5.246
  568   2HG   GLN  73          HG3       GLN  73  -6.535   8.310   5.558
  569   1HE2  GLN  73          HE22      GLN  73  -6.471   7.368   7.774
  570   2HE2  GLN  73          HE21      GLN  73  -7.922   7.421   8.760
  571    HN3  BTI 135           HN3      BTL  35  -4.605 -25.525  -2.201
  572    HN2  BTI 135           HN2      BTL  35  -2.716 -25.234  -5.736
  573    H4   BTI 135           H4       BTL  35  -1.413 -23.965  -3.956
  574    H2   BTI 135           H2       BTL  35   0.191 -25.605  -3.381
  575    H62  BTI 135           H62      BTL  35  -1.074 -25.842  -1.063
  576    H63  BTI 135           H63      BTL  35  -2.621 -26.719  -1.012
  577    H5   BTI 135           H5       BTL  35  -2.481 -24.168  -1.897
  578    H72  BTI 135           H72      BTL  35  -1.016 -27.006  -5.771
  579    H73  BTI 135           H73      BTL  35  -0.194 -25.436  -5.890
  580    H82  BTI 135           H82      BTL  35   1.866 -26.370  -4.988
  581    H83  BTI 135           H83      BTL  35   1.069 -27.932  -4.704
  582    H92  BTI 135           H92      BTL  35   0.713 -28.228  -7.115
  583    H93  BTI 135           H93      BTL  35   1.381 -26.626  -7.448
  584   H102  BTI 135          H102      BTL  35   3.017 -28.403  -7.942
  585   H103  BTI 135          H103      BTL  35   3.587 -27.313  -6.681
  Start of MODEL    5
    1   1H    THR   2           H1       THR   2   1.637  -0.355   6.664
    2   2H    THR   2           H2       THR   2   1.597  -1.900   7.233
    3   3H    THR   2           H3       THR   2   1.995  -1.600   5.655
    4    HA   THR   2           HA       THR   2  -0.595  -0.874   6.771
    5    HB   THR   2           HB       THR   2  -1.109  -1.246   4.173
    6    HG1  THR   2           HG1      THR   2   0.653  -1.336   3.028
    7   1HG2  THR   2          HG21      THR   2  -1.436   0.858   5.517
    8   2HG2  THR   2          HG22      THR   2   0.260   1.276   5.163
    9   3HG2  THR   2          HG23      THR   2  -0.911   1.130   3.851
   10    H    VAL   3           H        VAL   3   0.167  -3.388   4.244
   11    HA   VAL   3           HA       VAL   3  -0.352  -5.447   6.231
   12    HB   VAL   3           HB       VAL   3  -1.844  -5.872   3.673
   13   1HG1  VAL   3          HG11      VAL   3  -2.409  -6.659   6.541
   14   2HG1  VAL   3          HG12      VAL   3  -3.299  -7.215   5.105
   15   3HG1  VAL   3          HG13      VAL   3  -1.606  -7.671   5.321
   16   1HG2  VAL   3          HG21      VAL   3  -2.805  -3.684   4.291
   17   2HG2  VAL   3          HG22      VAL   3  -3.968  -4.985   4.545
   18   3HG2  VAL   3          HG23      VAL   3  -3.123  -4.282   5.939
   19    H    SER   4           H        SER   4   0.750  -7.309   5.683
   20    HA   SER   4           HA       SER   4   2.417  -7.392   3.249
   21   1HB   SER   4          HB2       SER   4   3.417  -7.385   6.137
   22   2HB   SER   4          HB3       SER   4   4.419  -7.694   4.717
   23    HG   SER   4           HG       SER   4   4.520  -5.507   5.463
   24    H    ILE   5           H        ILE   5   3.444  -9.483   3.066
   25    HA   ILE   5           HA       ILE   5   1.734 -11.706   3.822
   26    HB   ILE   5           HB       ILE   5   4.365 -11.433   2.287
   27   1HG1  ILE   5          HG12      ILE   5   2.491 -12.464   0.541
   28   2HG1  ILE   5          HG13      ILE   5   1.445 -11.490   1.551
   29   1HG2  ILE   5          HG21      ILE   5   2.679 -13.897   2.770
   30   2HG2  ILE   5          HG22      ILE   5   4.018 -13.816   1.615
   31   3HG2  ILE   5          HG23      ILE   5   4.365 -13.627   3.308
   32   1HD1  ILE   5          HD11      ILE   5   2.869  -9.498   1.063
   33   2HD1  ILE   5          HD12      ILE   5   3.940 -10.504   0.084
   34   3HD1  ILE   5          HD13      ILE   5   2.255 -10.244  -0.418
   35    H    GLN   6           H        GLN   6   2.447 -13.494   5.102
   36    HA   GLN   6           HA       GLN   6   4.286 -12.711   7.301
   37   1HB   GLN   6          HB2       GLN   6   2.686 -13.643   8.841
   38   2HB   GLN   6          HB3       GLN   6   1.910 -12.462   7.792
   39   1HG   GLN   6          HG2       GLN   6   1.144 -14.500   6.349
   40   2HG   GLN   6          HG3       GLN   6   1.681 -15.507   7.692
   41   1HE2  GLN   6          HE22      GLN   6  -0.372 -12.631   6.976
   42   2HE2  GLN   6          HE21      GLN   6  -1.630 -13.028   8.128
   43    H    MET   7           H        MET   7   4.275 -14.852   4.805
   44    HA   MET   7           HA       MET   7   6.036 -16.678   6.219
   45   1HB   MET   7          HB2       MET   7   3.277 -17.442   5.843
   46   2HB   MET   7          HB3       MET   7   4.223 -18.357   4.677
   47   1HG   MET   7          HG2       MET   7   4.696 -18.208   7.672
   48   2HG   MET   7          HG3       MET   7   3.975 -19.561   6.804
   49   1HE   MET   7          HE1       MET   7   5.252 -21.531   5.845
   50   2HE   MET   7          HE2       MET   7   5.497 -20.421   4.483
   51   3HE   MET   7          HE3       MET   7   6.861 -21.377   5.103
   52    H    ALA   8           H        ALA   8   7.196 -18.078   4.676
   53    HA   ALA   8           HA       ALA   8   7.790 -16.833   2.121
   54   1HB   ALA   8          HB1       ALA   8   9.522 -17.992   3.410
   55   2HB   ALA   8          HB2       ALA   8   8.583 -19.508   3.342
   56   3HB   ALA   8          HB3       ALA   8   9.253 -18.809   1.854
   57    H    GLY   9           H        GLY   9   6.840 -17.270   0.158
   58   1HA   GLY   9          HA2       GLY   9   5.572 -19.734  -0.496
   59   2HA   GLY   9          HA3       GLY   9   4.378 -18.673   0.251
   60    H    ASN  10           H        ASN  10   3.272 -18.874  -1.674
   61    HA   ASN  10           HA       ASN  10   4.069 -17.004  -3.846
   62   1HB   ASN  10          HB2       ASN  10   2.958 -19.830  -4.175
   63   2HB   ASN  10          HB3       ASN  10   3.129 -18.645  -5.471
   64   1HD2  ASN  10          HD21      ASN  10   4.838 -20.965  -3.425
   65   2HD2  ASN  10          HD22      ASN  10   6.430 -20.695  -4.106
   66    H    LEU  11           H        LEU  11   2.345 -15.696  -4.293
   67    HA   LEU  11           HA       LEU  11   0.196 -15.757  -2.375
   68   1HB   LEU  11          HB2       LEU  11   1.628 -13.777  -3.207
   69   2HB   LEU  11          HB3       LEU  11   0.632 -13.793  -4.640
   70    HG   LEU  11           HG       LEU  11  -1.401 -13.449  -3.165
   71   1HD1  LEU  11          HD11      LEU  11   0.739 -13.257  -0.991
   72   2HD1  LEU  11          HD12      LEU  11  -0.871 -12.556  -0.815
   73   3HD1  LEU  11          HD13      LEU  11  -0.701 -14.301  -1.008
   74   1HD2  LEU  11          HD21      LEU  11   0.831 -11.399  -2.810
   75   2HD2  LEU  11          HD22      LEU  11  -0.165 -11.582  -4.273
   76   3HD2  LEU  11          HD23      LEU  11  -0.918 -11.085  -2.757
   77    H    TRP  12           H        TRP  12  -0.487 -17.843  -3.332
   78    HA   TRP  12           HA       TRP  12  -1.568 -18.678  -5.576
   79   1HB   TRP  12          HB2       TRP  12  -1.475 -19.947  -3.577
   80   2HB   TRP  12          HB3       TRP  12  -2.567 -18.872  -2.733
   81    HD1  TRP  12           HD1      TRP  12  -4.203 -19.914  -5.926
   82    HE1  TRP  12           HE1      TRP  12  -5.938 -21.709  -5.447
   83    HE3  TRP  12           HE3      TRP  12  -2.801 -21.111  -1.167
   84    HZ2  TRP  12           HZ2      TRP  12  -6.808 -23.286  -3.159
   85    HZ3  TRP  12           HZ3      TRP  12  -4.136 -22.680   0.171
   86    HH2  TRP  12           HH2      TRP  12  -6.142 -23.789  -0.809
   87    H    LYS  13           H        LYS  13  -3.556 -16.504  -3.434
   88    HA   LYS  13           HA       LYS  13  -4.890 -15.588  -5.880
   89   1HB   LYS  13          HB2       LYS  13  -6.475 -16.758  -3.553
   90   2HB   LYS  13          HB3       LYS  13  -7.154 -15.687  -4.789
   91   1HG   LYS  13          HG2       LYS  13  -6.417 -17.311  -6.558
   92   2HG   LYS  13          HG3       LYS  13  -5.983 -18.439  -5.270
   93   1HD   LYS  13          HD2       LYS  13  -8.768 -17.330  -5.800
   94   2HD   LYS  13          HD3       LYS  13  -8.176 -18.932  -6.261
   95   1HE   LYS  13          HE2       LYS  13  -7.741 -19.439  -3.843
   96   2HE   LYS  13          HE3       LYS  13  -8.457 -17.880  -3.411
   97   1HZ   LYS  13          HZ1       LYS  13  -9.876 -20.094  -4.791
   98   2HZ   LYS  13          HZ2       LYS  13 -10.073 -19.671  -3.233
   99   3HZ   LYS  13          HZ3       LYS  13 -10.548 -18.654  -4.413
  100    H    VAL  14           H        VAL  14  -6.154 -13.630  -5.468
  101    HA   VAL  14           HA       VAL  14  -5.435 -12.057  -3.101
  102    HB   VAL  14           HB       VAL  14  -4.871 -11.217  -5.982
  103   1HG1  VAL  14          HG11      VAL  14  -3.992  -9.120  -4.986
  104   2HG1  VAL  14          HG12      VAL  14  -5.721  -9.289  -4.722
  105   3HG1  VAL  14          HG13      VAL  14  -4.581  -9.631  -3.390
  106   1HG2  VAL  14          HG21      VAL  14  -3.038 -11.701  -3.599
  107   2HG2  VAL  14          HG22      VAL  14  -3.053 -12.618  -5.118
  108   3HG2  VAL  14          HG23      VAL  14  -2.519 -10.936  -5.113
  109    H    HIS  15           H        HIS  15  -7.029 -10.565  -2.701
  110    HA   HIS  15           HA       HIS  15  -9.573 -10.779  -4.247
  111   1HB   HIS  15          HB2       HIS  15  -9.290 -11.144  -1.236
  112   2HB   HIS  15          HB3       HIS  15 -10.768 -11.285  -2.183
  113    HD1  HIS  15           HD1      HIS  15 -10.615 -13.434  -4.114
  114    HD2  HIS  15           HD2      HIS  15  -7.921 -13.342  -0.885
  115    HE1  HIS  15           HE1      HIS  15  -9.557 -15.749  -3.986
  116    H    VAL  16           H        VAL  16  -7.435  -8.664  -3.756
  117    HA   VAL  16           HA       VAL  16  -9.242  -6.436  -2.991
  118    HB   VAL  16           HB       VAL  16  -7.046  -5.307  -2.267
  119   1HG1  VAL  16          HG11      VAL  16  -8.840  -6.040  -0.749
  120   2HG1  VAL  16          HG12      VAL  16  -8.072  -7.630  -0.604
  121   3HG1  VAL  16          HG13      VAL  16  -7.237  -6.169  -0.005
  122   1HG2  VAL  16          HG21      VAL  16  -5.446  -6.996  -3.182
  123   2HG2  VAL  16          HG22      VAL  16  -5.224  -6.744  -1.448
  124   3HG2  VAL  16          HG23      VAL  16  -6.047  -8.186  -2.008
  125    H    LYS  17           H        LYS  17  -8.772  -4.440  -4.093
  126    HA   LYS  17           HA       LYS  17  -6.927  -4.486  -6.351
  127   1HB   LYS  17          HB2       LYS  17  -9.897  -3.785  -6.666
  128   2HB   LYS  17          HB3       LYS  17  -8.645  -3.495  -7.878
  129   1HG   LYS  17          HG2       LYS  17  -8.213  -5.978  -7.947
  130   2HG   LYS  17          HG3       LYS  17  -9.621  -6.209  -6.902
  131   1HD   LYS  17          HD2       LYS  17  -9.615  -4.920  -9.665
  132   2HD   LYS  17          HD3       LYS  17 -10.130  -6.563  -9.318
  133   1HE   LYS  17          HE2       LYS  17 -11.466  -4.046  -8.212
  134   2HE   LYS  17          HE3       LYS  17 -12.002  -4.932  -9.638
  135   1HZ   LYS  17          HZ1       LYS  17 -12.401  -6.863  -8.235
  136   2HZ   LYS  17          HZ2       LYS  17 -11.931  -6.049  -6.894
  137   3HZ   LYS  17          HZ3       LYS  17 -13.262  -5.588  -7.711
  138    H    ALA  18           H        ALA  18  -6.562  -2.153  -7.028
  139    HA   ALA  18           HA       ALA  18  -6.526  -0.259  -4.908
  140   1HB   ALA  18          HB1       ALA  18  -5.082  -0.071  -6.894
  141   2HB   ALA  18          HB2       ALA  18  -6.512   0.197  -7.923
  142   3HB   ALA  18          HB3       ALA  18  -6.068   1.389  -6.684
  143    H    GLY  19           H        GLY  19  -8.045   1.107  -4.114
  144   1HA   GLY  19          HA2       GLY  19  -9.892   2.458  -4.059
  145   2HA   GLY  19          HA3       GLY  19 -10.437   1.844  -5.625
  146    H    ASP  20           H        ASP  20  -9.848  -1.006  -4.007
  147    HA   ASP  20           HA       ASP  20 -12.660  -1.407  -3.449
  148   1HB   ASP  20          HB2       ASP  20 -11.076  -3.148  -4.332
  149   2HB   ASP  20          HB3       ASP  20 -10.293  -3.179  -2.746
  150    H    GLN  21           H        GLN  21 -13.462  -2.191  -1.342
  151    HA   GLN  21           HA       GLN  21 -12.322  -0.708   0.990
  152   1HB   GLN  21          HB2       GLN  21 -14.703  -0.275   0.462
  153   2HB   GLN  21          HB3       GLN  21 -15.027  -2.002   0.424
  154   1HG   GLN  21          HG2       GLN  21 -15.912  -1.243   2.455
  155   2HG   GLN  21          HG3       GLN  21 -14.465  -2.117   2.896
  156   1HE2  GLN  21          HE22      GLN  21 -13.166  -1.035   4.431
  157   2HE2  GLN  21          HE21      GLN  21 -13.230   0.693   4.698
  158    H    ILE  22           H        ILE  22 -11.542  -1.894   2.719
  159    HA   ILE  22           HA       ILE  22 -12.172  -4.783   2.903
  160    HB   ILE  22           HB       ILE  22  -9.922  -5.307   3.644
  161   1HG1  ILE  22          HG12      ILE  22  -9.094  -2.485   2.835
  162   2HG1  ILE  22          HG13      ILE  22  -9.225  -3.082   4.495
  163   1HG2  ILE  22          HG21      ILE  22 -10.589  -5.567   1.257
  164   2HG2  ILE  22          HG22      ILE  22  -9.817  -4.008   0.897
  165   3HG2  ILE  22          HG23      ILE  22  -8.853  -5.369   1.500
  166   1HD1  ILE  22          HD11      ILE  22  -7.254  -3.997   2.366
  167   2HD1  ILE  22          HD12      ILE  22  -6.927  -3.175   3.906
  168   3HD1  ILE  22          HD13      ILE  22  -7.497  -4.848   3.908
  169    H    GLU  23           H        GLU  23 -11.604  -5.593   5.161
  170    HA   GLU  23           HA       GLU  23 -12.429  -3.635   7.201
  171   1HB   GLU  23          HB2       GLU  23 -14.454  -4.565   5.981
  172   2HB   GLU  23          HB3       GLU  23 -13.910  -6.182   6.410
  173   1HG   GLU  23          HG2       GLU  23 -15.566  -5.677   7.960
  174   2HG   GLU  23          HG3       GLU  23 -14.064  -5.465   8.855
  175    H    LYS  24           H        LYS  24 -11.488  -4.334   9.198
  176    HA   LYS  24           HA       LYS  24  -9.278  -6.011   9.146
  177   1HB   LYS  24          HB2       LYS  24  -9.771  -4.356  10.903
  178   2HB   LYS  24          HB3       LYS  24 -11.081  -5.367  11.522
  179   1HG   LYS  24          HG2       LYS  24  -9.456  -7.169  12.048
  180   2HG   LYS  24          HG3       LYS  24  -8.140  -6.195  11.396
  181   1HD   LYS  24          HD2       LYS  24  -9.878  -5.448  13.791
  182   2HD   LYS  24          HD3       LYS  24  -8.280  -6.202  13.883
  183   1HE   LYS  24          HE2       LYS  24  -7.284  -4.238  12.718
  184   2HE   LYS  24          HE3       LYS  24  -8.873  -3.458  12.686
  185   1HZ   LYS  24          HZ1       LYS  24  -7.383  -4.193  15.139
  186   2HZ   LYS  24          HZ2       LYS  24  -7.548  -2.686  14.547
  187   3HZ   LYS  24          HZ3       LYS  24  -8.854  -3.479  15.115
  188    H    GLY  25           H        GLY  25  -8.958  -8.152   9.043
  189   1HA   GLY  25          HA2       GLY  25  -9.286 -10.396   9.485
  190   2HA   GLY  25          HA3       GLY  25 -10.874 -10.059  10.169
  191    H    GLN  26           H        GLN  26 -10.911  -8.519   7.137
  192    HA   GLN  26           HA       GLN  26 -12.429 -10.642   5.848
  193   1HB   GLN  26          HB2       GLN  26 -12.778  -8.119   5.501
  194   2HB   GLN  26          HB3       GLN  26 -11.222  -8.102   4.662
  195   1HG   GLN  26          HG2       GLN  26 -12.402 -10.059   3.220
  196   2HG   GLN  26          HG3       GLN  26 -13.863  -9.305   3.827
  197   1HE2  GLN  26          HE22      GLN  26 -11.203  -9.097   1.584
  198   2HE2  GLN  26          HE21      GLN  26 -11.678  -7.580   0.832
  199    H    GLU  27           H        GLU  27 -11.581 -12.022   4.260
  200    HA   GLU  27           HA       GLU  27  -8.747 -12.494   4.021
  201   1HB   GLU  27          HB2       GLU  27 -10.569 -14.161   3.684
  202   2HB   GLU  27          HB3       GLU  27 -11.053 -13.319   2.210
  203   1HG   GLU  27          HG2       GLU  27  -8.881 -13.833   1.177
  204   2HG   GLU  27          HG3       GLU  27  -8.292 -14.525   2.693
  205    H    VAL  28           H        VAL  28  -7.270 -11.416   2.789
  206    HA   VAL  28           HA       VAL  28  -8.237  -9.780   0.503
  207    HB   VAL  28           HB       VAL  28  -6.287  -8.310   0.982
  208   1HG1  VAL  28          HG11      VAL  28  -8.626  -7.780   1.728
  209   2HG1  VAL  28          HG12      VAL  28  -8.269  -8.515   3.291
  210   3HG1  VAL  28          HG13      VAL  28  -7.374  -7.070   2.766
  211   1HG2  VAL  28          HG21      VAL  28  -4.926  -9.859   2.407
  212   2HG2  VAL  28          HG22      VAL  28  -5.231  -8.294   3.178
  213   3HG2  VAL  28          HG23      VAL  28  -6.154  -9.715   3.683
  214    H    ALA  29           H        ALA  29  -5.968 -12.316   1.597
  215    HA   ALA  29           HA       ALA  29  -5.595 -12.971  -1.191
  216   1HB   ALA  29          HB1       ALA  29  -3.135 -12.219   0.465
  217   2HB   ALA  29          HB2       ALA  29  -3.137 -12.931  -1.159
  218   3HB   ALA  29          HB3       ALA  29  -3.768 -11.302  -0.917
  219    H    ILE  30           H        ILE  30  -4.032 -14.981  -1.240
  220    HA   ILE  30           HA       ILE  30  -4.108 -16.529   1.288
  221    HB   ILE  30           HB       ILE  30  -4.919 -17.742  -1.388
  222   1HG1  ILE  30          HG12      ILE  30  -6.723 -17.085   0.986
  223   2HG1  ILE  30          HG13      ILE  30  -6.746 -16.297  -0.594
  224   1HG2  ILE  30          HG21      ILE  30  -3.749 -19.299   0.117
  225   2HG2  ILE  30          HG22      ILE  30  -4.847 -18.885   1.449
  226   3HG2  ILE  30          HG23      ILE  30  -5.423 -19.755   0.004
  227   1HD1  ILE  30          HD11      ILE  30  -7.239 -18.578  -1.621
  228   2HD1  ILE  30          HD12      ILE  30  -7.579 -19.138   0.033
  229   3HD1  ILE  30          HD13      ILE  30  -8.535 -17.823  -0.664
  230    H    LEU  31           H        LEU  31  -2.299 -17.760   1.540
  231    HA   LEU  31           HA       LEU  31  -0.157 -17.647  -0.531
  232   1HB   LEU  31          HB2       LEU  31  -0.235 -18.387   2.412
  233   2HB   LEU  31          HB3       LEU  31   1.156 -18.718   1.404
  234    HG   LEU  31           HG       LEU  31   0.057 -15.953   1.989
  235   1HD1  LEU  31          HD11      LEU  31   1.998 -15.758   3.476
  236   2HD1  LEU  31          HD12      LEU  31   1.147 -17.227   3.911
  237   3HD1  LEU  31          HD13      LEU  31   2.624 -17.327   2.936
  238   1HD2  LEU  31          HD21      LEU  31   2.189 -15.188   0.955
  239   2HD2  LEU  31          HD22      LEU  31   2.521 -16.856   0.439
  240   3HD2  LEU  31          HD23      LEU  31   1.125 -15.960  -0.206
  241    H    GLU  32           H        GLU  32   0.234 -19.352  -1.602
  242    HA   GLU  32           HA       GLU  32  -0.104 -22.060  -0.479
  243   1HB   GLU  32          HB2       GLU  32  -0.350 -22.050  -2.885
  244   2HB   GLU  32          HB3       GLU  32   0.987 -20.932  -3.105
  245   1HG   GLU  32          HG2       GLU  32   1.658 -23.556  -1.792
  246   2HG   GLU  32          HG3       GLU  32   1.133 -23.616  -3.468
  247    H    SER  33           H        SER  33   1.655 -22.776   0.646
  248    HA   SER  33           HA       SER  33   4.152 -21.152   0.659
  249   1HB   SER  33          HB2       SER  33   2.278 -21.764   2.928
  250   2HB   SER  33          HB3       SER  33   4.024 -21.767   3.241
  251    HG   SER  33           HG       SER  33   4.160 -19.694   2.501
  252    H    MET  34           H        MET  34   4.725 -22.825  -0.836
  253    HA   MET  34           HA       MET  34   5.739 -24.731  -1.419
  254   1HB   MET  34          HB2       MET  34   6.661 -25.031   1.458
  255   2HB   MET  34          HB3       MET  34   7.454 -25.611  -0.009
  256   1HG   MET  34          HG2       MET  34   7.136 -22.741   0.931
  257   2HG   MET  34          HG3       MET  34   8.624 -23.668   0.832
  258   1HE   MET  34          HE1       MET  34   8.812 -20.614  -1.763
  259   2HE   MET  34          HE2       MET  34   7.827 -20.646  -0.285
  260   3HE   MET  34          HE3       MET  34   9.490 -21.278  -0.259
  261    H    LYS  35           H        BTL  35   3.127 -24.977  -1.083
  262    HA   LYS  35           HA       BTL  35   1.550 -26.452  -1.336
  263   1HB   LYS  35          HB2       BTL  35   3.205 -28.702  -0.158
  264   2HB   LYS  35          HB3       BTL  35   1.699 -28.811  -1.064
  265   1HG   LYS  35          HG2       BTL  35   2.906 -27.640  -2.995
  266   2HG   LYS  35          HG3       BTL  35   4.414 -27.950  -2.119
  267   1HD   LYS  35          HD2       BTL  35   3.802 -30.407  -2.075
  268   2HD   LYS  35          HD3       BTL  35   2.421 -30.030  -3.117
  269   1HE   LYS  35          HE2       BTL  35   5.374 -29.656  -3.774
  270   2HE   LYS  35          HE3       BTL  35   4.283 -30.863  -4.471
  271   1HZ   LYS  35          HZ1       BTL  35   4.382 -27.967  -5.023
  272    H    MET  36           H        MET  36   2.390 -25.059   1.428
  273    HA   MET  36           HA       MET  36   0.240 -26.290   3.068
  274   1HB   MET  36          HB2       MET  36   2.181 -24.033   3.746
  275   2HB   MET  36          HB3       MET  36   0.992 -24.764   4.819
  276   1HG   MET  36          HG2       MET  36   2.109 -26.956   4.615
  277   2HG   MET  36          HG3       MET  36   3.346 -26.243   3.581
  278   1HE   MET  36          HE1       MET  36   5.472 -24.063   5.946
  279   2HE   MET  36          HE2       MET  36   5.303 -24.795   4.334
  280   3HE   MET  36          HE3       MET  36   4.181 -23.518   4.853
  281    H    GLU  37           H        GLU  37  -1.293 -24.585   4.018
  282    HA   GLU  37           HA       GLU  37  -2.155 -22.703   1.856
  283   1HB   GLU  37          HB2       GLU  37  -3.815 -24.602   3.584
  284   2HB   GLU  37          HB3       GLU  37  -4.449 -23.465   2.395
  285   1HG   GLU  37          HG2       GLU  37  -3.365 -24.741   0.578
  286   2HG   GLU  37          HG3       GLU  37  -2.605 -25.816   1.744
  287    H    ILE  38           H        ILE  38  -2.229 -20.615   2.705
  288    HA   ILE  38           HA       ILE  38  -2.957 -20.327   5.585
  289    HB   ILE  38           HB       ILE  38  -0.658 -18.774   4.408
  290   1HG1  ILE  38          HG12      ILE  38  -0.392 -21.332   6.035
  291   2HG1  ILE  38          HG13      ILE  38   0.018 -21.155   4.324
  292   1HG2  ILE  38          HG21      ILE  38  -1.458 -19.343   7.284
  293   2HG2  ILE  38          HG22      ILE  38  -0.189 -18.228   6.726
  294   3HG2  ILE  38          HG23      ILE  38  -1.872 -17.866   6.388
  295   1HD1  ILE  38          HD11      ILE  38   1.717 -19.440   4.908
  296   2HD1  ILE  38          HD12      ILE  38   1.441 -19.810   6.631
  297   3HD1  ILE  38          HD13      ILE  38   2.045 -21.064   5.536
  298    HA   PRO  39           HA       PRO  39  -5.573 -17.217   3.427
  299   1HB   PRO  39          HB2       PRO  39  -6.440 -16.816   6.288
  300   2HB   PRO  39          HB3       PRO  39  -7.444 -16.971   4.820
  301   1HG   PRO  39          HG2       PRO  39  -7.216 -19.047   6.576
  302   2HG   PRO  39          HG3       PRO  39  -7.242 -19.338   4.808
  303   1HD   PRO  39          HD2       PRO  39  -4.844 -19.237   6.654
  304   2HD   PRO  39          HD3       PRO  39  -5.212 -20.391   5.333
  305    H    ILE  40           H        ILE  40  -5.221 -14.954   3.329
  306    HA   ILE  40           HA       ILE  40  -3.577 -13.715   5.480
  307    HB   ILE  40           HB       ILE  40  -3.506 -12.938   2.554
  308   1HG1  ILE  40          HG12      ILE  40  -2.600 -15.207   2.648
  309   2HG1  ILE  40          HG13      ILE  40  -1.363 -14.034   2.280
  310   1HG2  ILE  40          HG21      ILE  40  -1.740 -12.238   4.938
  311   2HG2  ILE  40          HG22      ILE  40  -1.386 -11.797   3.261
  312   3HG2  ILE  40          HG23      ILE  40  -2.835 -11.157   4.054
  313   1HD1  ILE  40          HD11      ILE  40  -1.684 -14.872   5.173
  314   2HD1  ILE  40          HD12      ILE  40  -0.944 -15.982   4.029
  315   3HD1  ILE  40          HD13      ILE  40  -0.238 -14.365   4.287
  316    H    VAL  41           H        VAL  41  -4.800 -12.357   6.545
  317    HA   VAL  41           HA       VAL  41  -7.252 -11.279   5.277
  318    HB   VAL  41           HB       VAL  41  -8.097 -11.254   7.676
  319   1HG1  VAL  41          HG11      VAL  41  -8.709 -13.704   7.639
  320   2HG1  VAL  41          HG12      VAL  41  -9.027 -12.855   6.141
  321   3HG1  VAL  41          HG13      VAL  41  -7.607 -13.918   6.261
  322   1HG2  VAL  41          HG21      VAL  41  -7.152 -12.811   9.281
  323   2HG2  VAL  41          HG22      VAL  41  -5.976 -13.427   8.112
  324   3HG2  VAL  41          HG23      VAL  41  -5.823 -11.765   8.760
  325    H    ALA  42           H        ALA  42  -7.946  -9.216   5.946
  326    HA   ALA  42           HA       ALA  42  -5.928  -7.282   5.752
  327   1HB   ALA  42          HB1       ALA  42  -7.770  -5.679   6.128
  328   2HB   ALA  42          HB2       ALA  42  -8.293  -6.966   5.027
  329   3HB   ALA  42          HB3       ALA  42  -8.794  -6.993   6.725
  330    H    ASP  43           H        ASP  43  -4.558  -6.626   7.234
  331    HA   ASP  43           HA       ASP  43  -4.574  -6.996  10.027
  332   1HB   ASP  43          HB2       ASP  43  -2.597  -6.204   8.729
  333   2HB   ASP  43          HB3       ASP  43  -3.402  -4.669   8.438
  334    H    ARG  44           H        ARG  44  -6.236  -4.563   8.085
  335    HA   ARG  44           HA       ARG  44  -7.601  -3.360  10.369
  336   1HB   ARG  44          HB2       ARG  44  -6.707  -1.099   9.867
  337   2HB   ARG  44          HB3       ARG  44  -5.433  -2.200  10.385
  338   1HG   ARG  44          HG2       ARG  44  -4.941  -2.575   7.846
  339   2HG   ARG  44          HG3       ARG  44  -6.032  -1.217   7.565
  340   1HD   ARG  44          HD2       ARG  44  -3.772  -0.463   7.537
  341   2HD   ARG  44          HD3       ARG  44  -4.551   0.205   8.992
  342    HE   ARG  44           HE       ARG  44  -3.291  -2.179   9.781
  343   1HH1  ARG  44          HH21      ARG  44  -2.210   0.871   8.276
  344   2HH1  ARG  44          HH22      ARG  44  -0.548   0.642   8.692
  345   1HH2  ARG  44          HH11      ARG  44  -1.285  -2.416  10.468
  346   2HH2  ARG  44          HH12      ARG  44  -0.019  -1.221  10.217
  347    H    SER  45           H        SER  45  -9.356  -1.969   9.607
  348    HA   SER  45           HA       SER  45 -10.395  -2.610   6.980
  349   1HB   SER  45          HB2       SER  45 -11.296  -0.477   8.969
  350   2HB   SER  45          HB3       SER  45 -12.264  -1.247   7.692
  351    HG   SER  45           HG       SER  45 -12.813  -2.494   9.303
  352    H    GLY  46           H        GLY  46 -10.800  -0.981   5.272
  353   1HA   GLY  46          HA2       GLY  46 -10.318   1.697   5.346
  354   2HA   GLY  46          HA3       GLY  46  -8.700   1.040   5.041
  355    H    ILE  47           H        ILE  47  -9.387   2.608   3.139
  356    HA   ILE  47           HA       ILE  47 -10.516   1.022   0.896
  357    HB   ILE  47           HB       ILE  47  -9.567   3.914   1.084
  358   1HG1  ILE  47          HG12      ILE  47 -11.724   3.591   2.214
  359   2HG1  ILE  47          HG13      ILE  47 -11.879   4.572   0.770
  360   1HG2  ILE  47          HG21      ILE  47 -10.664   2.372  -1.301
  361   2HG2  ILE  47          HG22      ILE  47 -10.563   4.146  -1.223
  362   3HG2  ILE  47          HG23      ILE  47  -9.092   3.178  -1.150
  363   1HD1  ILE  47          HD11      ILE  47 -12.827   2.629  -0.470
  364   2HD1  ILE  47          HD12      ILE  47 -12.665   1.633   0.997
  365   3HD1  ILE  47          HD13      ILE  47 -13.759   3.026   0.979
  366    H    VAL  48           H        VAL  48  -9.148   0.031  -0.482
  367    HA   VAL  48           HA       VAL  48  -6.314  -0.115   0.066
  368    HB   VAL  48           HB       VAL  48  -7.997  -1.059  -2.287
  369   1HG1  VAL  48          HG11      VAL  48  -5.685  -0.944  -3.003
  370   2HG1  VAL  48          HG12      VAL  48  -5.111  -1.639  -1.489
  371   3HG1  VAL  48          HG13      VAL  48  -6.033  -2.634  -2.649
  372   1HG2  VAL  48          HG21      VAL  48  -7.012  -2.605   0.153
  373   2HG2  VAL  48          HG22      VAL  48  -8.693  -2.167  -0.199
  374   3HG2  VAL  48          HG23      VAL  48  -7.849  -3.299  -1.253
  375    H    LYS  49           H        LYS  49  -4.762   1.232  -0.674
  376    HA   LYS  49           HA       LYS  49  -5.434   3.268  -2.723
  377   1HB   LYS  49          HB2       LYS  49  -4.122   3.851  -0.602
  378   2HB   LYS  49          HB3       LYS  49  -2.815   2.840  -1.236
  379   1HG   LYS  49          HG2       LYS  49  -2.809   4.300  -3.320
  380   2HG   LYS  49          HG3       LYS  49  -4.016   5.328  -2.524
  381   1HD   LYS  49          HD2       LYS  49  -2.346   5.694  -0.645
  382   2HD   LYS  49          HD3       LYS  49  -1.186   4.722  -1.566
  383   1HE   LYS  49          HE2       LYS  49  -0.659   7.020  -1.964
  384   2HE   LYS  49          HE3       LYS  49  -1.317   6.341  -3.452
  385   1HZ   LYS  49          HZ1       LYS  49  -2.815   8.043  -1.536
  386   2HZ   LYS  49          HZ2       LYS  49  -2.228   8.526  -2.974
  387   3HZ   LYS  49          HZ3       LYS  49  -3.430   7.432  -2.926
  388    H    GLU  50           H        GLU  50  -3.215   0.400  -2.096
  389    HA   GLU  50           HA       GLU  50  -3.039  -0.015  -4.995
  390   1HB   GLU  50          HB2       GLU  50  -1.241   1.746  -4.079
  391   2HB   GLU  50          HB3       GLU  50  -0.440   0.296  -3.454
  392   1HG   GLU  50          HG2       GLU  50  -0.280  -0.635  -5.681
  393   2HG   GLU  50          HG3       GLU  50  -1.252   0.695  -6.341
  394    H    VAL  51           H        VAL  51  -2.015  -2.144  -5.428
  395    HA   VAL  51           HA       VAL  51  -1.782  -3.903  -3.036
  396    HB   VAL  51           HB       VAL  51  -2.710  -4.854  -5.769
  397   1HG1  VAL  51          HG11      VAL  51  -2.896  -6.095  -2.978
  398   2HG1  VAL  51          HG12      VAL  51  -3.389  -6.848  -4.513
  399   3HG1  VAL  51          HG13      VAL  51  -1.684  -6.520  -4.199
  400   1HG2  VAL  51          HG21      VAL  51  -4.495  -3.357  -4.964
  401   2HG2  VAL  51          HG22      VAL  51  -4.994  -5.046  -4.855
  402   3HG2  VAL  51          HG23      VAL  51  -4.488  -4.183  -3.390
  403    H    LYS  52           H        LYS  52   0.246  -4.681  -2.865
  404    HA   LYS  52           HA       LYS  52   2.199  -3.739  -4.839
  405   1HB   LYS  52          HB2       LYS  52   2.483  -5.131  -2.135
  406   2HB   LYS  52          HB3       LYS  52   3.815  -4.477  -3.076
  407   1HG   LYS  52          HG2       LYS  52   1.522  -2.806  -1.936
  408   2HG   LYS  52          HG3       LYS  52   3.129  -2.980  -1.236
  409   1HD   LYS  52          HD2       LYS  52   4.113  -2.044  -3.369
  410   2HD   LYS  52          HD3       LYS  52   2.454  -1.703  -3.916
  411   1HE   LYS  52          HE2       LYS  52   2.084  -0.318  -1.893
  412   2HE   LYS  52          HE3       LYS  52   3.746  -0.630  -1.367
  413   1HZ   LYS  52          HZ1       LYS  52   3.563   1.487  -2.512
  414   2HZ   LYS  52          HZ2       LYS  52   4.503   0.489  -3.397
  415   3HZ   LYS  52          HZ3       LYS  52   2.948   0.776  -3.856
  416    H    LYS  53           H        LYS  53   0.417  -6.547  -4.757
  417    HA   LYS  53           HA       LYS  53   2.422  -8.134  -6.213
  418   1HB   LYS  53          HB2       LYS  53   0.941  -9.094  -3.715
  419   2HB   LYS  53          HB3       LYS  53   1.861 -10.147  -4.797
  420   1HG   LYS  53          HG2       LYS  53   3.126  -7.879  -3.198
  421   2HG   LYS  53          HG3       LYS  53   3.007  -9.550  -2.667
  422   1HD   LYS  53          HD2       LYS  53   4.272 -10.321  -4.630
  423   2HD   LYS  53          HD3       LYS  53   4.444  -8.642  -5.204
  424   1HE   LYS  53          HE2       LYS  53   5.761  -8.031  -3.305
  425   2HE   LYS  53          HE3       LYS  53   5.305  -9.494  -2.435
  426   1HZ   LYS  53          HZ1       LYS  53   6.552 -10.774  -4.141
  427   2HZ   LYS  53          HZ2       LYS  53   7.163  -9.347  -4.718
  428   3HZ   LYS  53          HZ3       LYS  53   7.431  -9.835  -3.152
  429    H    LYS  54           H        LYS  54   1.086 -10.301  -6.831
  430    HA   LYS  54           HA       LYS  54  -1.763  -9.759  -7.284
  431   1HB   LYS  54          HB2       LYS  54  -1.665 -10.221  -9.647
  432   2HB   LYS  54          HB3       LYS  54  -0.619  -8.841  -9.320
  433   1HG   LYS  54          HG2       LYS  54   1.385 -10.235  -9.514
  434   2HG   LYS  54          HG3       LYS  54   0.416 -11.702  -9.579
  435   1HD   LYS  54          HD2       LYS  54  -0.663 -10.680 -11.730
  436   2HD   LYS  54          HD3       LYS  54   0.710  -9.566 -11.691
  437   1HE   LYS  54          HE2       LYS  54   1.402 -11.355 -13.094
  438   2HE   LYS  54          HE3       LYS  54   2.228 -11.626 -11.558
  439   1HZ   LYS  54          HZ1       LYS  54   0.419 -13.265 -11.030
  440   2HZ   LYS  54          HZ2       LYS  54  -0.197 -13.033 -12.527
  441   3HZ   LYS  54          HZ3       LYS  54   1.288 -13.673 -12.358
  442    H    GLU  55           H        GLU  55  -2.786 -11.802  -8.192
  443    HA   GLU  55           HA       GLU  55  -2.265 -14.146  -6.864
  444   1HB   GLU  55          HB2       GLU  55  -3.263 -13.950  -9.737
  445   2HB   GLU  55          HB3       GLU  55  -3.408 -15.335  -8.659
  446   1HG   GLU  55          HG2       GLU  55  -5.456 -14.492  -8.270
  447   2HG   GLU  55          HG3       GLU  55  -4.597 -13.551  -7.068
  448    H    GLY  56           H        GLY  56  -0.600 -15.489  -6.769
  449   1HA   GLY  56          HA2       GLY  56   0.885 -17.068  -7.528
  450   2HA   GLY  56          HA3       GLY  56   0.695 -16.476  -9.184
  451    H    ASP  57           H        ASP  57   1.441 -13.768  -7.202
  452    HA   ASP  57           HA       ASP  57   4.153 -13.642  -8.208
  453   1HB   ASP  57          HB2       ASP  57   2.532 -11.691  -7.455
  454   2HB   ASP  57          HB3       ASP  57   3.192 -12.006  -5.862
  455    H    PHE  58           H        PHE  58   6.068 -13.581  -6.781
  456    HA   PHE  58           HA       PHE  58   6.038 -15.780  -4.780
  457   1HB   PHE  58          HB2       PHE  58   7.854 -15.752  -6.449
  458   2HB   PHE  58          HB3       PHE  58   8.287 -14.114  -5.973
  459    HD1  PHE  58           HD1      PHE  58   9.774 -13.719  -4.129
  460    HD2  PHE  58           HD2      PHE  58   8.036 -17.631  -4.679
  461    HE1  PHE  58           HE1      PHE  58  11.244 -14.627  -2.348
  462    HE2  PHE  58           HE2      PHE  58   9.511 -18.532  -2.901
  463    HZ   PHE  58           HZ       PHE  58  11.123 -17.036  -1.737
  464    H    VAL  59           H        VAL  59   6.419 -15.351  -2.577
  465    HA   VAL  59           HA       VAL  59   6.673 -12.553  -1.681
  466    HB   VAL  59           HB       VAL  59   4.624 -12.947  -0.252
  467   1HG1  VAL  59          HG11      VAL  59   4.059 -12.665  -3.220
  468   2HG1  VAL  59          HG12      VAL  59   3.048 -12.114  -1.877
  469   3HG1  VAL  59          HG13      VAL  59   4.639 -11.385  -2.121
  470   1HG2  VAL  59          HG21      VAL  59   3.943 -15.055  -2.352
  471   2HG2  VAL  59          HG22      VAL  59   4.283 -15.366  -0.633
  472   3HG2  VAL  59          HG23      VAL  59   2.857 -14.425  -1.117
  473    H    ASN  60           H        ASN  60   6.801 -12.455   0.762
  474    HA   ASN  60           HA       ASN  60   7.642 -14.925   2.015
  475   1HB   ASN  60          HB2       ASN  60   9.606 -13.256   0.717
  476   2HB   ASN  60          HB3       ASN  60   9.811 -13.049   2.449
  477   1HD2  ASN  60          HD22      ASN  60   9.147 -15.731   0.079
  478   2HD2  ASN  60          HD21      ASN  60  10.280 -16.847   0.808
  479    H    GLU  61           H        GLU  61   8.408 -14.549   4.279
  480    HA   GLU  61           HA       GLU  61   6.525 -13.094   5.827
  481   1HB   GLU  61          HB2       GLU  61   7.701 -14.957   6.747
  482   2HB   GLU  61          HB3       GLU  61   9.266 -14.296   6.302
  483   1HG   GLU  61          HG2       GLU  61   9.046 -14.186   8.646
  484   2HG   GLU  61          HG3       GLU  61   9.053 -12.543   8.022
  485    H    GLY  62           H        GLY  62   6.260 -10.952   5.839
  486   1HA   GLY  62          HA2       GLY  62   6.803  -8.792   6.401
  487   2HA   GLY  62          HA3       GLY  62   8.530  -9.150   6.274
  488    H    ASP  63           H        ASP  63   6.965 -10.298   3.425
  489    HA   ASP  63           HA       ASP  63   7.993  -8.039   1.856
  490   1HB   ASP  63          HB2       ASP  63   8.179 -10.491   1.190
  491   2HB   ASP  63          HB3       ASP  63   6.432 -10.479   0.927
  492    H    VAL  64           H        VAL  64   6.575  -6.622   0.713
  493    HA   VAL  64           HA       VAL  64   4.239  -5.938   2.261
  494    HB   VAL  64           HB       VAL  64   4.038  -4.105   0.548
  495   1HG1  VAL  64          HG11      VAL  64   5.220  -3.821   2.675
  496   2HG1  VAL  64          HG12      VAL  64   6.733  -4.386   1.934
  497   3HG1  VAL  64          HG13      VAL  64   5.980  -2.873   1.386
  498   1HG2  VAL  64          HG21      VAL  64   5.204  -5.315  -1.354
  499   2HG2  VAL  64          HG22      VAL  64   5.798  -3.674  -1.040
  500   3HG2  VAL  64          HG23      VAL  64   6.738  -5.073  -0.498
  501    H    LEU  65           H        LEU  65   2.070  -5.725   1.571
  502    HA   LEU  65           HA       LEU  65   1.283  -7.397  -0.785
  503   1HB   LEU  65          HB2       LEU  65   0.869  -8.624   1.326
  504   2HB   LEU  65          HB3       LEU  65  -0.008  -7.250   1.971
  505    HG   LEU  65           HG       LEU  65  -1.768  -7.516   0.269
  506   1HD1  LEU  65          HD11      LEU  65  -1.856  -9.562  -1.114
  507   2HD1  LEU  65          HD12      LEU  65  -0.510  -8.529  -1.585
  508   3HD1  LEU  65          HD13      LEU  65  -0.205  -9.981  -0.602
  509   1HD2  LEU  65          HD21      LEU  65  -1.136 -10.059   1.795
  510   2HD2  LEU  65          HD22      LEU  65  -1.964  -8.628   2.451
  511   3HD2  LEU  65          HD23      LEU  65  -2.730  -9.580   1.170
  512    H    LEU  66           H        LEU  66   0.358  -4.655   1.424
  513    HA   LEU  66           HA       LEU  66  -1.406  -3.585  -0.728
  514   1HB   LEU  66          HB2       LEU  66  -2.039  -4.489   2.078
  515   2HB   LEU  66          HB3       LEU  66  -2.878  -3.087   1.486
  516    HG   LEU  66           HG       LEU  66  -2.907  -5.650  -0.139
  517   1HD1  LEU  66          HD11      LEU  66  -4.815  -4.882   2.116
  518   2HD1  LEU  66          HD12      LEU  66  -5.041  -6.222   0.972
  519   3HD1  LEU  66          HD13      LEU  66  -3.694  -6.264   2.111
  520   1HD2  LEU  66          HD21      LEU  66  -3.665  -3.612  -1.245
  521   2HD2  LEU  66          HD22      LEU  66  -5.065  -4.632  -0.913
  522   3HD2  LEU  66          HD23      LEU  66  -4.741  -3.237   0.113
  523    H    GLU  67           H        GLU  67  -1.863  -1.430  -0.511
  524    HA   GLU  67           HA       GLU  67  -0.548   0.202   1.600
  525   1HB   GLU  67          HB2       GLU  67   0.675   0.341  -0.620
  526   2HB   GLU  67          HB3       GLU  67  -0.855   0.770  -1.382
  527   1HG   GLU  67          HG2       GLU  67   0.414   2.747  -1.147
  528   2HG   GLU  67          HG3       GLU  67  -0.942   2.847  -0.025
  529    H    LEU  68           H        LEU  68  -2.070   1.640   2.466
  530    HA   LEU  68           HA       LEU  68  -4.858   1.418   1.416
  531   1HB   LEU  68          HB2       LEU  68  -4.033   1.170   4.325
  532   2HB   LEU  68          HB3       LEU  68  -5.642   1.039   3.657
  533    HG   LEU  68           HG       LEU  68  -3.410  -0.986   3.235
  534   1HD1  LEU  68          HD11      LEU  68  -5.915  -1.033   4.971
  535   2HD1  LEU  68          HD12      LEU  68  -4.817  -2.403   4.716
  536   3HD1  LEU  68          HD13      LEU  68  -4.224  -0.948   5.517
  537   1HD2  LEU  68          HD21      LEU  68  -5.239  -2.437   2.352
  538   2HD2  LEU  68          HD22      LEU  68  -6.332  -1.032   2.359
  539   3HD2  LEU  68          HD23      LEU  68  -4.881  -1.065   1.319
  540    H    SER  69           H        SER  69  -5.847   3.353   1.380
  541    HA   SER  69           HA       SER  69  -4.569   5.778   1.988
  542   1HB   SER  69          HB2       SER  69  -7.537   5.168   1.773
  543   2HB   SER  69          HB3       SER  69  -6.744   6.725   1.439
  544    HG   SER  69           HG       SER  69  -7.146   5.587  -0.489
  545    H    ASN  70           H        ASN  70  -6.470   3.639   4.046
  546    HA   ASN  70           HA       ASN  70  -7.307   5.657   5.923
  547   1HB   ASN  70          HB2       ASN  70  -8.517   3.509   5.440
  548   2HB   ASN  70          HB3       ASN  70  -7.220   2.636   6.276
  549   1HD2  ASN  70          HD22      ASN  70  -8.499   1.842   8.029
  550   2HD2  ASN  70          HD21      ASN  70  -9.224   2.916   9.204
  551    H    SER  71           H        SER  71  -4.192   4.306   5.503
  552    HA   SER  71           HA       SER  71  -3.431   5.352   8.143
  553   1HB   SER  71          HB2       SER  71  -2.107   3.243   8.655
  554   2HB   SER  71          HB3       SER  71  -3.859   3.164   8.878
  555    HG   SER  71           HG       SER  71  -4.017   2.152   6.830
  556    H    THR  72           H        THR  72  -2.352   3.925   5.025
  557    HA   THR  72           HA       THR  72  -0.423   4.015   3.935
  558    HB   THR  72           HB       THR  72   0.464   6.357   3.557
  559    HG1  THR  72           HG1      THR  72  -0.812   6.866   5.773
  560   1HG2  THR  72          HG21      THR  72  -2.545   6.027   3.258
  561   2HG2  THR  72          HG22      THR  72  -1.473   7.067   2.296
  562   3HG2  THR  72          HG23      THR  72  -1.332   5.304   2.179
  563    H    GLN  73           H        GLN  73   0.004   3.012   6.590
  564    HA   GLN  73           HA       GLN  73   2.897   3.501   6.853
  565   1HB   GLN  73          HB2       GLN  73   0.876   3.630   9.140
  566   2HB   GLN  73          HB3       GLN  73   2.608   3.415   9.369
  567   1HG   GLN  73          HG2       GLN  73   1.375   5.866   8.036
  568   2HG   GLN  73          HG3       GLN  73   1.768   5.748   9.742
  569   1HE2  GLN  73          HE21      GLN  73   3.170   5.806   6.467
  570   2HE2  GLN  73          HE22      GLN  73   4.788   6.283   6.969
  571    HN3  BTI 135           HN3      BTL  35  -4.447 -25.540  -1.745
  572    HN2  BTI 135           HN2      BTL  35  -2.784 -25.181  -5.386
  573    H4   BTI 135           H4       BTL  35  -1.386 -23.942  -3.652
  574    H2   BTI 135           H2       BTL  35   0.271 -25.578  -3.227
  575    H62  BTI 135           H62      BTL  35  -0.869 -25.962  -0.840
  576    H63  BTI 135           H63      BTL  35  -2.405 -26.858  -0.784
  577    H5   BTI 135           H5       BTL  35  -2.289 -24.234  -1.528
  578    H72  BTI 135           H72      BTL  35  -1.050 -26.901  -5.604
  579    H73  BTI 135           H73      BTL  35  -0.247 -25.321  -5.706
  580    H82  BTI 135           H82      BTL  35   1.866 -26.265  -4.965
  581    H83  BTI 135           H83      BTL  35   1.103 -27.841  -4.672
  582    H92  BTI 135           H92      BTL  35   0.623 -28.109  -7.055
  583    H93  BTI 135           H93      BTL  35   1.221 -26.482  -7.402
  584   H102  BTI 135          H102      BTL  35   2.874 -28.208  -8.021
  585   H103  BTI 135          H103      BTL  35   3.488 -27.106  -6.791
  Start of MODEL    6
    1   1H    THR   2           H1       THR   2   2.511  -1.555   4.174
    2   2H    THR   2           H2       THR   2   1.240  -1.695   3.140
    3   3H    THR   2           H3       THR   2   1.743  -0.210   3.610
    4    HA   THR   2           HA       THR   2   1.160  -0.692   5.894
    5    HB   THR   2           HB       THR   2  -1.172  -0.986   3.963
    6    HG1  THR   2           HG1      THR   2   0.141   1.002   3.758
    7   1HG2  THR   2          HG21      THR   2  -1.952  -1.540   6.200
    8   2HG2  THR   2          HG22      THR   2  -1.072  -0.156   6.894
    9   3HG2  THR   2          HG23      THR   2  -2.460   0.112   5.825
   10    H    VAL   3           H        VAL   3  -0.615  -3.208   3.890
   11    HA   VAL   3           HA       VAL   3  -0.250  -5.093   6.153
   12    HB   VAL   3           HB       VAL   3  -1.720  -5.620   3.550
   13   1HG1  VAL   3          HG11      VAL   3  -1.230  -7.605   4.919
   14   2HG1  VAL   3          HG12      VAL   3  -1.989  -6.833   6.330
   15   3HG1  VAL   3          HG13      VAL   3  -2.960  -7.264   4.908
   16   1HG2  VAL   3          HG21      VAL   3  -2.853  -3.648   4.512
   17   2HG2  VAL   3          HG22      VAL   3  -3.848  -5.081   4.738
   18   3HG2  VAL   3          HG23      VAL   3  -2.908  -4.433   6.102
   19    H    SER   4           H        SER   4   1.005  -6.993   5.835
   20    HA   SER   4           HA       SER   4   2.576  -7.280   3.350
   21   1HB   SER   4          HB2       SER   4   3.779  -7.177   6.144
   22   2HB   SER   4          HB3       SER   4   4.661  -7.461   4.645
   23    HG   SER   4           HG       SER   4   4.785  -5.266   5.415
   24    H    ILE   5           H        ILE   5   3.698  -9.339   3.352
   25    HA   ILE   5           HA       ILE   5   2.063 -11.517   4.415
   26    HB   ILE   5           HB       ILE   5   4.526 -11.379   2.610
   27   1HG1  ILE   5          HG12      ILE   5   2.724 -10.331   1.450
   28   2HG1  ILE   5          HG13      ILE   5   2.900 -11.932   0.785
   29   1HG2  ILE   5          HG21      ILE   5   2.748 -13.714   3.365
   30   2HG2  ILE   5          HG22      ILE   5   3.824 -13.735   1.954
   31   3HG2  ILE   5          HG23      ILE   5   4.514 -13.549   3.554
   32   1HD1  ILE   5          HD11      ILE   5   0.739 -11.017   2.703
   33   2HD1  ILE   5          HD12      ILE   5   0.566 -11.463   0.995
   34   3HD1  ILE   5          HD13      ILE   5   0.958 -12.712   2.188
   35    H    GLN   6           H        GLN   6   3.018 -13.274   5.593
   36    HA   GLN   6           HA       GLN   6   5.086 -12.420   7.557
   37   1HB   GLN   6          HB2       GLN   6   3.707 -13.218   9.314
   38   2HB   GLN   6          HB3       GLN   6   2.718 -12.145   8.338
   39   1HG   GLN   6          HG2       GLN   6   2.627 -15.210   8.288
   40   2HG   GLN   6          HG3       GLN   6   1.491 -14.154   9.108
   41   1HE2  GLN   6          HE22      GLN   6  -0.126 -13.039   7.857
   42   2HE2  GLN   6          HE21      GLN   6  -0.394 -13.426   6.172
   43    H    MET   7           H        MET   7   4.452 -14.676   5.168
   44    HA   MET   7           HA       MET   7   6.267 -16.668   6.355
   45   1HB   MET   7          HB2       MET   7   4.077 -17.394   7.103
   46   2HB   MET   7          HB3       MET   7   3.382 -17.161   5.499
   47   1HG   MET   7          HG2       MET   7   3.774 -19.518   6.097
   48   2HG   MET   7          HG3       MET   7   4.555 -19.016   4.607
   49   1HE   MET   7          HE1       MET   7   6.008 -21.040   4.363
   50   2HE   MET   7          HE2       MET   7   6.927 -21.805   5.681
   51   3HE   MET   7          HE3       MET   7   5.149 -21.733   5.752
   52    H    ALA   8           H        ALA   8   7.261 -17.944   4.767
   53    HA   ALA   8           HA       ALA   8   7.669 -16.784   2.163
   54   1HB   ALA   8          HB1       ALA   8   9.112 -18.762   1.849
   55   2HB   ALA   8          HB2       ALA   8   9.455 -17.917   3.376
   56   3HB   ALA   8          HB3       ALA   8   8.517 -19.438   3.378
   57    H    GLY   9           H        GLY   9   6.720 -17.288   0.232
   58   1HA   GLY   9          HA2       GLY   9   5.470 -19.752  -0.383
   59   2HA   GLY   9          HA3       GLY   9   4.251 -18.702   0.345
   60    H    ASN  10           H        ASN  10   3.157 -18.914  -1.599
   61    HA   ASN  10           HA       ASN  10   3.954 -17.025  -3.751
   62   1HB   ASN  10          HB2       ASN  10   2.838 -19.845  -4.108
   63   2HB   ASN  10          HB3       ASN  10   2.988 -18.642  -5.388
   64   1HD2  ASN  10          HD21      ASN  10   4.740 -20.972  -3.390
   65   2HD2  ASN  10          HD22      ASN  10   6.311 -20.712  -4.128
   66    H    LEU  11           H        LEU  11   2.219 -15.758  -4.302
   67    HA   LEU  11           HA       LEU  11   0.066 -15.757  -2.372
   68   1HB   LEU  11          HB2       LEU  11   1.531 -13.802  -3.203
   69   2HB   LEU  11          HB3       LEU  11   0.564 -13.829  -4.658
   70    HG   LEU  11           HG       LEU  11  -1.489 -13.427  -3.234
   71   1HD1  LEU  11          HD11      LEU  11  -1.014 -12.526  -0.885
   72   2HD1  LEU  11          HD12      LEU  11  -0.842 -14.274  -1.052
   73   3HD1  LEU  11          HD13      LEU  11   0.600 -13.231  -1.009
   74   1HD2  LEU  11          HD21      LEU  11  -0.958 -11.061  -2.830
   75   2HD2  LEU  11          HD22      LEU  11   0.783 -11.421  -2.856
   76   3HD2  LEU  11          HD23      LEU  11  -0.195 -11.591  -4.332
   77    H    TRP  12           H        TRP  12  -0.630 -17.830  -3.246
   78    HA   TRP  12           HA       TRP  12  -1.619 -18.749  -5.515
   79   1HB   TRP  12          HB2       TRP  12  -1.577 -19.978  -3.493
   80   2HB   TRP  12          HB3       TRP  12  -2.710 -18.904  -2.704
   81    HD1  TRP  12           HD1      TRP  12  -4.244 -19.988  -5.931
   82    HE1  TRP  12           HE1      TRP  12  -5.962 -21.804  -5.507
   83    HE3  TRP  12           HE3      TRP  12  -2.941 -21.197  -1.146
   84    HZ2  TRP  12           HZ2      TRP  12  -6.874 -23.400  -3.259
   85    HZ3  TRP  12           HZ3      TRP  12  -4.273 -22.826   0.122
   86    HH2  TRP  12           HH2      TRP  12  -6.251 -23.934  -0.903
   87    H    LYS  13           H        LYS  13  -3.592 -16.471  -3.487
   88    HA   LYS  13           HA       LYS  13  -5.017 -15.702  -5.912
   89   1HB   LYS  13          HB2       LYS  13  -6.504 -16.892  -3.574
   90   2HB   LYS  13          HB3       LYS  13  -7.233 -15.767  -4.736
   91   1HG   LYS  13          HG2       LYS  13  -6.558 -17.273  -6.620
   92   2HG   LYS  13          HG3       LYS  13  -6.028 -18.463  -5.430
   93   1HD   LYS  13          HD2       LYS  13  -8.871 -17.423  -5.739
   94   2HD   LYS  13          HD3       LYS  13  -8.248 -18.977  -6.327
   95   1HE   LYS  13          HE2       LYS  13  -7.560 -19.534  -3.980
   96   2HE   LYS  13          HE3       LYS  13  -8.350 -18.051  -3.428
   97   1HZ   LYS  13          HZ1       LYS  13  -9.727 -20.320  -4.771
   98   2HZ   LYS  13          HZ2       LYS  13  -9.817 -19.974  -3.184
   99   3HZ   LYS  13          HZ3       LYS  13 -10.464 -18.950  -4.272
  100    H    VAL  14           H        VAL  14  -6.088 -13.690  -5.721
  101    HA   VAL  14           HA       VAL  14  -5.528 -12.116  -3.276
  102    HB   VAL  14           HB       VAL  14  -4.824 -11.278  -6.125
  103   1HG1  VAL  14          HG11      VAL  14  -4.753  -9.637  -3.549
  104   2HG1  VAL  14          HG12      VAL  14  -4.051  -9.146  -5.105
  105   3HG1  VAL  14          HG13      VAL  14  -5.794  -9.339  -4.971
  106   1HG2  VAL  14          HG21      VAL  14  -3.061 -12.640  -5.042
  107   2HG2  VAL  14          HG22      VAL  14  -2.545 -10.954  -5.146
  108   3HG2  VAL  14          HG23      VAL  14  -3.137 -11.609  -3.606
  109    H    HIS  15           H        HIS  15  -7.114 -10.650  -2.864
  110    HA   HIS  15           HA       HIS  15  -9.627 -10.815  -4.471
  111   1HB   HIS  15          HB2       HIS  15  -9.390 -11.107  -1.453
  112   2HB   HIS  15          HB3       HIS  15 -10.851 -11.282  -2.423
  113    HD1  HIS  15           HD1      HIS  15 -10.573 -13.489  -4.326
  114    HD2  HIS  15           HD2      HIS  15  -8.158 -13.315  -0.886
  115    HE1  HIS  15           HE1      HIS  15  -9.601 -15.823  -4.006
  116    H    VAL  16           H        VAL  16  -7.404  -8.715  -3.763
  117    HA   VAL  16           HA       VAL  16  -9.245  -6.488  -3.049
  118    HB   VAL  16           HB       VAL  16  -7.073  -5.395  -2.197
  119   1HG1  VAL  16          HG11      VAL  16  -8.293  -7.689  -0.635
  120   2HG1  VAL  16          HG12      VAL  16  -7.426  -6.280   0.043
  121   3HG1  VAL  16          HG13      VAL  16  -8.967  -6.058  -0.794
  122   1HG2  VAL  16          HG21      VAL  16  -5.390  -6.901  -1.209
  123   2HG2  VAL  16          HG22      VAL  16  -6.146  -8.293  -1.956
  124   3HG2  VAL  16          HG23      VAL  16  -5.412  -7.036  -2.978
  125    H    LYS  17           H        LYS  17  -8.662  -4.433  -3.994
  126    HA   LYS  17           HA       LYS  17  -6.959  -4.479  -6.369
  127   1HB   LYS  17          HB2       LYS  17  -9.792  -3.359  -6.585
  128   2HB   LYS  17          HB3       LYS  17  -8.624  -3.650  -7.855
  129   1HG   LYS  17          HG2       LYS  17 -10.005  -5.379  -8.303
  130   2HG   LYS  17          HG3       LYS  17  -8.949  -6.193  -7.161
  131   1HD   LYS  17          HD2       LYS  17 -11.189  -6.791  -6.589
  132   2HD   LYS  17          HD3       LYS  17 -10.690  -5.645  -5.342
  133   1HE   LYS  17          HE2       LYS  17 -11.868  -3.813  -6.605
  134   2HE   LYS  17          HE3       LYS  17 -12.360  -5.000  -7.817
  135   1HZ   LYS  17          HZ1       LYS  17 -14.133  -4.651  -6.281
  136   2HZ   LYS  17          HZ2       LYS  17 -13.580  -6.159  -6.019
  137   3HZ   LYS  17          HZ3       LYS  17 -13.211  -4.942  -4.969
  138    H    ALA  18           H        ALA  18  -6.531  -2.125  -6.983
  139    HA   ALA  18           HA       ALA  18  -6.479  -0.262  -4.814
  140   1HB   ALA  18          HB1       ALA  18  -6.024   1.422  -6.563
  141   2HB   ALA  18          HB2       ALA  18  -5.028  -0.027  -6.795
  142   3HB   ALA  18          HB3       ALA  18  -6.458   0.250  -7.824
  143    H    GLY  19           H        GLY  19  -8.030   1.086  -4.017
  144   1HA   GLY  19          HA2       GLY  19  -9.949   2.334  -3.908
  145   2HA   GLY  19          HA3       GLY  19 -10.466   1.749  -5.493
  146    H    ASP  20           H        ASP  20  -9.688  -1.070  -3.792
  147    HA   ASP  20           HA       ASP  20 -12.496  -1.684  -3.377
  148   1HB   ASP  20          HB2       ASP  20 -10.758  -3.270  -4.251
  149   2HB   ASP  20          HB3       ASP  20  -9.999  -3.274  -2.653
  150    H    GLN  21           H        GLN  21 -13.613  -1.854  -1.433
  151    HA   GLN  21           HA       GLN  21 -12.440  -0.714   1.011
  152   1HB   GLN  21          HB2       GLN  21 -14.768  -0.192   0.365
  153   2HB   GLN  21          HB3       GLN  21 -15.159  -1.906   0.312
  154   1HG   GLN  21          HG2       GLN  21 -16.098  -1.085   2.308
  155   2HG   GLN  21          HG3       GLN  21 -14.725  -2.047   2.800
  156   1HE2  GLN  21          HE22      GLN  21 -13.415  -1.048   4.402
  157   2HE2  GLN  21          HE21      GLN  21 -13.395   0.674   4.668
  158    H    ILE  22           H        ILE  22 -11.753  -1.907   2.754
  159    HA   ILE  22           HA       ILE  22 -12.412  -4.785   2.957
  160    HB   ILE  22           HB       ILE  22 -10.138  -5.324   3.627
  161   1HG1  ILE  22          HG12      ILE  22  -9.368  -2.466   2.885
  162   2HG1  ILE  22          HG13      ILE  22  -9.405  -3.149   4.516
  163   1HG2  ILE  22          HG21      ILE  22 -10.843  -5.548   1.238
  164   2HG2  ILE  22          HG22      ILE  22 -10.052  -3.993   0.895
  165   3HG2  ILE  22          HG23      ILE  22  -9.103  -5.377   1.472
  166   1HD1  ILE  22          HD11      ILE  22  -7.522  -3.853   2.249
  167   2HD1  ILE  22          HD12      ILE  22  -7.143  -3.177   3.851
  168   3HD1  ILE  22          HD13      ILE  22  -7.678  -4.857   3.701
  169    H    GLU  23           H        GLU  23 -11.771  -5.591   5.194
  170    HA   GLU  23           HA       GLU  23 -12.373  -3.625   7.289
  171   1HB   GLU  23          HB2       GLU  23 -14.531  -4.432   6.256
  172   2HB   GLU  23          HB3       GLU  23 -14.076  -6.085   6.700
  173   1HG   GLU  23          HG2       GLU  23 -13.994  -5.400   9.087
  174   2HG   GLU  23          HG3       GLU  23 -14.392  -3.742   8.618
  175    H    LYS  24           H        LYS  24 -11.490  -4.431   9.282
  176    HA   LYS  24           HA       LYS  24  -9.294  -6.127   9.190
  177   1HB   LYS  24          HB2       LYS  24  -9.805  -4.569  11.038
  178   2HB   LYS  24          HB3       LYS  24 -11.149  -5.591  11.548
  179   1HG   LYS  24          HG2       LYS  24  -9.535  -7.462  11.977
  180   2HG   LYS  24          HG3       LYS  24  -8.197  -6.404  11.531
  181   1HD   LYS  24          HD2       LYS  24 -10.179  -5.826  13.776
  182   2HD   LYS  24          HD3       LYS  24  -8.685  -6.708  14.037
  183   1HE   LYS  24          HE2       LYS  24  -8.717  -3.897  12.855
  184   2HE   LYS  24          HE3       LYS  24  -8.731  -4.196  14.594
  185   1HZ   LYS  24          HZ1       LYS  24  -6.497  -3.874  13.864
  186   2HZ   LYS  24          HZ2       LYS  24  -6.644  -5.424  14.336
  187   3HZ   LYS  24          HZ3       LYS  24  -6.583  -5.050  12.737
  188    H    GLY  25           H        GLY  25  -9.018  -8.264   8.926
  189   1HA   GLY  25          HA2       GLY  25  -9.366 -10.525   9.320
  190   2HA   GLY  25          HA3       GLY  25 -10.955 -10.192   9.997
  191    H    GLN  26           H        GLN  26 -10.904  -8.577   6.990
  192    HA   GLN  26           HA       GLN  26 -12.497 -10.669   5.715
  193   1HB   GLN  26          HB2       GLN  26 -12.795  -8.057   5.667
  194   2HB   GLN  26          HB3       GLN  26 -11.536  -8.083   4.434
  195   1HG   GLN  26          HG2       GLN  26 -14.273  -9.444   4.380
  196   2HG   GLN  26          HG3       GLN  26 -13.799  -8.009   3.472
  197   1HE2  GLN  26          HE22      GLN  26 -11.866  -8.346   1.891
  198   2HE2  GLN  26          HE21      GLN  26 -11.615  -9.947   1.232
  199    H    GLU  27           H        GLU  27 -11.730 -11.895   3.939
  200    HA   GLU  27           HA       GLU  27  -8.891 -12.496   3.888
  201   1HB   GLU  27          HB2       GLU  27 -10.677 -14.190   3.725
  202   2HB   GLU  27          HB3       GLU  27 -11.211 -13.499   2.190
  203   1HG   GLU  27          HG2       GLU  27  -9.034 -14.083   1.161
  204   2HG   GLU  27          HG3       GLU  27  -8.438 -14.663   2.718
  205    H    VAL  28           H        VAL  28  -7.444 -11.290   2.814
  206    HA   VAL  28           HA       VAL  28  -8.315  -9.754   0.429
  207    HB   VAL  28           HB       VAL  28  -6.281  -8.396   0.873
  208   1HG1  VAL  28          HG11      VAL  28  -8.168  -8.516   3.263
  209   2HG1  VAL  28          HG12      VAL  28  -7.241  -7.113   2.686
  210   3HG1  VAL  28          HG13      VAL  28  -8.579  -7.771   1.722
  211   1HG2  VAL  28          HG21      VAL  28  -4.966 -10.036   2.245
  212   2HG2  VAL  28          HG22      VAL  28  -5.165  -8.467   3.041
  213   3HG2  VAL  28          HG23      VAL  28  -6.154  -9.839   3.554
  214    H    ALA  29           H        ALA  29  -6.128 -12.382   1.504
  215    HA   ALA  29           HA       ALA  29  -5.743 -13.061  -1.283
  216   1HB   ALA  29          HB1       ALA  29  -3.932 -11.378  -1.019
  217   2HB   ALA  29          HB2       ALA  29  -3.302 -12.261   0.384
  218   3HB   ALA  29          HB3       ALA  29  -3.277 -13.001  -1.227
  219    H    ILE  30           H        ILE  30  -4.145 -15.054  -1.297
  220    HA   ILE  30           HA       ILE  30  -4.229 -16.573   1.254
  221    HB   ILE  30           HB       ILE  30  -4.991 -17.837  -1.412
  222   1HG1  ILE  30          HG12      ILE  30  -6.827 -17.107   0.917
  223   2HG1  ILE  30          HG13      ILE  30  -6.841 -16.396  -0.699
  224   1HG2  ILE  30          HG21      ILE  30  -3.839 -19.358   0.156
  225   2HG2  ILE  30          HG22      ILE  30  -4.987 -18.936   1.443
  226   3HG2  ILE  30          HG23      ILE  30  -5.505 -19.829  -0.010
  227   1HD1  ILE  30          HD11      ILE  30  -7.675 -19.201   0.068
  228   2HD1  ILE  30          HD12      ILE  30  -8.621 -17.927  -0.716
  229   3HD1  ILE  30          HD13      ILE  30  -7.313 -18.736  -1.610
  230    H    LEU  31           H        LEU  31  -2.414 -17.807   1.545
  231    HA   LEU  31           HA       LEU  31  -0.233 -17.675  -0.480
  232   1HB   LEU  31          HB2       LEU  31  -0.344 -18.370   2.470
  233   2HB   LEU  31          HB3       LEU  31   1.071 -18.719   1.502
  234    HG   LEU  31           HG       LEU  31  -0.067 -15.951   2.013
  235   1HD1  LEU  31          HD11      LEU  31   1.965 -15.708   3.410
  236   2HD1  LEU  31          HD12      LEU  31   1.023 -17.081   3.971
  237   3HD1  LEU  31          HD13      LEU  31   2.479 -17.350   2.990
  238   1HD2  LEU  31          HD21      LEU  31   2.402 -16.821   0.461
  239   2HD2  LEU  31          HD22      LEU  31   1.002 -15.919  -0.168
  240   3HD2  LEU  31          HD23      LEU  31   2.071 -15.160   1.010
  241    H    GLU  32           H        GLU  32   0.171 -19.381  -1.543
  242    HA   GLU  32           HA       GLU  32  -0.210 -22.099  -0.459
  243   1HB   GLU  32          HB2       GLU  32  -0.458 -22.064  -2.863
  244   2HB   GLU  32          HB3       GLU  32   0.886 -20.955  -3.078
  245   1HG   GLU  32          HG2       GLU  32   1.551 -23.597  -1.798
  246   2HG   GLU  32          HG3       GLU  32   1.006 -23.640  -3.466
  247    H    SER  33           H        SER  33   1.567 -22.880   0.603
  248    HA   SER  33           HA       SER  33   4.090 -21.305   0.639
  249   1HB   SER  33          HB2       SER  33   2.228 -21.967   2.910
  250   2HB   SER  33          HB3       SER  33   3.978 -21.945   3.199
  251    HG   SER  33           HG       SER  33   4.053 -19.833   2.555
  252    H    MET  34           H        MET  34   4.612 -22.967  -0.884
  253    HA   MET  34           HA       MET  34   5.552 -24.912  -1.510
  254   1HB   MET  34          HB2       MET  34   6.613 -24.929   1.349
  255   2HB   MET  34          HB3       MET  34   7.238 -25.873  -0.006
  256   1HG   MET  34          HG2       MET  34   8.691 -24.064   0.107
  257   2HG   MET  34          HG3       MET  34   7.623 -23.680  -1.237
  258   1HE   MET  34          HE1       MET  34   9.436 -21.434  -0.339
  259   2HE   MET  34          HE2       MET  34   8.084 -21.188  -1.469
  260   3HE   MET  34          HE3       MET  34   8.313 -20.076  -0.104
  261    H    LYS  35           H        BTL  35   2.997 -25.184  -1.141
  262    HA   LYS  35           HA       BTL  35   1.446 -26.666  -1.367
  263   1HB   LYS  35          HB2       BTL  35   3.138 -28.900  -0.205
  264   2HB   LYS  35          HB3       BTL  35   1.635 -29.029  -1.117
  265   1HG   LYS  35          HG2       BTL  35   2.840 -27.797  -3.024
  266   2HG   LYS  35          HG3       BTL  35   4.344 -28.129  -2.149
  267   1HD   LYS  35          HD2       BTL  35   3.733 -30.586  -2.172
  268   2HD   LYS  35          HD3       BTL  35   2.352 -30.182  -3.203
  269   1HE   LYS  35          HE2       BTL  35   5.304 -29.795  -3.852
  270   2HE   LYS  35          HE3       BTL  35   4.206 -30.974  -4.586
  271   1HZ   LYS  35          HZ1       BTL  35   4.313 -28.059  -5.039
  272    H    MET  36           H        MET  36   2.214 -25.239   1.354
  273    HA   MET  36           HA       MET  36   0.010 -26.467   2.945
  274   1HB   MET  36          HB2       MET  36   2.034 -24.328   3.715
  275   2HB   MET  36          HB3       MET  36   0.813 -25.049   4.761
  276   1HG   MET  36          HG2       MET  36   1.878 -27.261   4.515
  277   2HG   MET  36          HG3       MET  36   3.131 -26.562   3.489
  278   1HE   MET  36          HE1       MET  36   5.295 -24.441   5.894
  279   2HE   MET  36          HE2       MET  36   5.096 -25.109   4.258
  280   3HE   MET  36          HE3       MET  36   3.993 -23.846   4.845
  281    H    GLU  37           H        GLU  37  -1.486 -24.784   3.889
  282    HA   GLU  37           HA       GLU  37  -2.110 -22.667   1.885
  283   1HB   GLU  37          HB2       GLU  37  -4.460 -23.245   2.265
  284   2HB   GLU  37          HB3       GLU  37  -3.546 -24.556   1.525
  285   1HG   GLU  37          HG2       GLU  37  -4.398 -24.448   4.457
  286   2HG   GLU  37          HG3       GLU  37  -5.270 -25.250   3.176
  287    H    ILE  38           H        ILE  38  -2.393 -20.639   2.716
  288    HA   ILE  38           HA       ILE  38  -3.099 -20.377   5.591
  289    HB   ILE  38           HB       ILE  38  -0.831 -18.738   4.461
  290   1HG1  ILE  38          HG12      ILE  38  -0.461 -21.334   6.004
  291   2HG1  ILE  38          HG13      ILE  38  -0.075 -21.095   4.292
  292   1HG2  ILE  38          HG21      ILE  38  -2.092 -17.965   6.477
  293   2HG2  ILE  38          HG22      ILE  38  -1.599 -19.452   7.315
  294   3HG2  ILE  38          HG23      ILE  38  -0.389 -18.256   6.793
  295   1HD1  ILE  38          HD11      ILE  38   1.950 -20.964   5.495
  296   2HD1  ILE  38          HD12      ILE  38   1.559 -19.339   4.904
  297   3HD1  ILE  38          HD13      ILE  38   1.311 -19.755   6.621
  298    HA   PRO  39           HA       PRO  39  -5.717 -17.284   3.404
  299   1HB   PRO  39          HB2       PRO  39  -6.561 -16.821   6.263
  300   2HB   PRO  39          HB3       PRO  39  -7.578 -17.003   4.806
  301   1HG   PRO  39          HG2       PRO  39  -7.341 -19.041   6.603
  302   2HG   PRO  39          HG3       PRO  39  -7.373 -19.371   4.841
  303   1HD   PRO  39          HD2       PRO  39  -4.966 -19.225   6.674
  304   2HD   PRO  39          HD3       PRO  39  -5.341 -20.411   5.383
  305    H    ILE  40           H        ILE  40  -5.392 -15.009   3.265
  306    HA   ILE  40           HA       ILE  40  -3.760 -13.715   5.389
  307    HB   ILE  40           HB       ILE  40  -3.707 -12.994   2.448
  308   1HG1  ILE  40          HG12      ILE  40  -2.756 -15.240   2.586
  309   2HG1  ILE  40          HG13      ILE  40  -1.542 -14.051   2.191
  310   1HG2  ILE  40          HG21      ILE  40  -1.624 -11.787   3.108
  311   2HG2  ILE  40          HG22      ILE  40  -3.073 -11.167   3.909
  312   3HG2  ILE  40          HG23      ILE  40  -1.940 -12.199   4.802
  313   1HD1  ILE  40          HD11      ILE  40  -1.824 -14.783   5.109
  314   2HD1  ILE  40          HD12      ILE  40  -1.127 -15.966   4.010
  315   3HD1  ILE  40          HD13      ILE  40  -0.387 -14.352   4.165
  316    H    VAL  41           H        VAL  41  -4.876 -12.189   6.360
  317    HA   VAL  41           HA       VAL  41  -7.387 -11.210   5.131
  318    HB   VAL  41           HB       VAL  41  -8.170 -11.197   7.563
  319   1HG1  VAL  41          HG11      VAL  41  -7.737 -13.839   6.098
  320   2HG1  VAL  41          HG12      VAL  41  -8.808 -13.633   7.501
  321   3HG1  VAL  41          HG13      VAL  41  -9.150 -12.759   6.021
  322   1HG2  VAL  41          HG21      VAL  41  -6.047 -13.370   7.930
  323   2HG2  VAL  41          HG22      VAL  41  -5.890 -11.715   8.592
  324   3HG2  VAL  41          HG23      VAL  41  -7.205 -12.770   9.125
  325    H    ALA  42           H        ALA  42  -8.064  -9.112   5.760
  326    HA   ALA  42           HA       ALA  42  -5.999  -7.203   5.627
  327   1HB   ALA  42          HB1       ALA  42  -8.867  -6.848   6.571
  328   2HB   ALA  42          HB2       ALA  42  -7.803  -5.555   6.005
  329   3HB   ALA  42          HB3       ALA  42  -8.356  -6.815   4.877
  330    H    ASP  43           H        ASP  43  -4.667  -6.501   7.154
  331    HA   ASP  43           HA       ASP  43  -4.858  -7.174   9.917
  332   1HB   ASP  43          HB2       ASP  43  -2.733  -6.717   8.777
  333   2HB   ASP  43          HB3       ASP  43  -3.210  -5.034   8.516
  334    H    ARG  44           H        ARG  44  -6.060  -4.339   8.136
  335    HA   ARG  44           HA       ARG  44  -7.724  -3.685  10.400
  336   1HB   ARG  44          HB2       ARG  44  -7.119  -1.295  10.516
  337   2HB   ARG  44          HB3       ARG  44  -5.835  -2.348  11.065
  338   1HG   ARG  44          HG2       ARG  44  -5.421  -1.803   8.236
  339   2HG   ARG  44          HG3       ARG  44  -5.748  -0.283   9.057
  340   1HD   ARG  44          HD2       ARG  44  -3.636  -2.315   9.883
  341   2HD   ARG  44          HD3       ARG  44  -3.328  -0.864   8.937
  342    HE   ARG  44           HE       ARG  44  -3.900   0.534  10.807
  343   1HH1  ARG  44          HH21      ARG  44  -3.098  -2.864  11.687
  344   2HH1  ARG  44          HH22      ARG  44  -2.943  -2.474  13.361
  345   1HH2  ARG  44          HH11      ARG  44  -3.675   0.981  12.979
  346   2HH2  ARG  44          HH12      ARG  44  -3.205  -0.258  14.102
  347    H    SER  45           H        SER  45  -9.460  -2.198   9.774
  348    HA   SER  45           HA       SER  45 -10.440  -2.651   7.141
  349   1HB   SER  45          HB2       SER  45 -11.291  -0.589   9.225
  350   2HB   SER  45          HB3       SER  45 -12.296  -1.263   7.925
  351    HG   SER  45           HG       SER  45 -12.580  -2.227  10.056
  352    H    GLY  46           H        GLY  46 -10.882  -1.048   5.450
  353   1HA   GLY  46          HA2       GLY  46 -10.272   1.639   5.458
  354   2HA   GLY  46          HA3       GLY  46  -8.721   0.847   5.106
  355    H    ILE  47           H        ILE  47  -9.127   2.219   3.092
  356    HA   ILE  47           HA       ILE  47 -10.391   0.454   1.058
  357    HB   ILE  47           HB       ILE  47 -10.046   3.481   0.985
  358   1HG1  ILE  47          HG12      ILE  47 -12.489   1.642   1.008
  359   2HG1  ILE  47          HG13      ILE  47 -11.997   2.757   2.283
  360   1HG2  ILE  47          HG21      ILE  47 -11.056   1.599  -1.193
  361   2HG2  ILE  47          HG22      ILE  47 -10.995   3.373  -1.294
  362   3HG2  ILE  47          HG23      ILE  47  -9.501   2.465  -1.223
  363   1HD1  ILE  47          HD11      ILE  47 -13.837   3.746   1.139
  364   2HD1  ILE  47          HD12      ILE  47 -12.392   4.666   0.670
  365   3HD1  ILE  47          HD13      ILE  47 -13.111   3.474  -0.448
  366    H    VAL  48           H        VAL  48  -9.005  -0.298  -0.436
  367    HA   VAL  48           HA       VAL  48  -6.189  -0.244   0.129
  368    HB   VAL  48           HB       VAL  48  -7.845  -1.266  -2.193
  369   1HG1  VAL  48          HG11      VAL  48  -5.907  -2.744  -2.714
  370   2HG1  VAL  48          HG12      VAL  48  -5.506  -1.046  -2.943
  371   3HG1  VAL  48          HG13      VAL  48  -4.936  -1.880  -1.485
  372   1HG2  VAL  48          HG21      VAL  48  -7.578  -3.474  -1.158
  373   2HG2  VAL  48          HG22      VAL  48  -6.670  -2.745   0.190
  374   3HG2  VAL  48          HG23      VAL  48  -8.388  -2.379  -0.047
  375    H    LYS  49           H        LYS  49  -4.707   1.173  -0.556
  376    HA   LYS  49           HA       LYS  49  -5.356   3.211  -2.599
  377   1HB   LYS  49          HB2       LYS  49  -4.123   3.849  -0.507
  378   2HB   LYS  49          HB3       LYS  49  -2.810   2.755  -0.967
  379   1HG   LYS  49          HG2       LYS  49  -2.507   4.086  -3.082
  380   2HG   LYS  49          HG3       LYS  49  -3.790   5.182  -2.533
  381   1HD   LYS  49          HD2       LYS  49  -2.414   5.704  -0.500
  382   2HD   LYS  49          HD3       LYS  49  -1.132   4.639  -1.128
  383   1HE   LYS  49          HE2       LYS  49  -0.956   6.053  -3.162
  384   2HE   LYS  49          HE3       LYS  49  -2.240   7.104  -2.553
  385   1HZ   LYS  49          HZ1       LYS  49  -0.060   8.027  -2.110
  386   2HZ   LYS  49          HZ2       LYS  49  -0.792   7.689  -0.696
  387   3HZ   LYS  49          HZ3       LYS  49   0.399   6.718  -1.260
  388    H    GLU  50           H        GLU  50  -3.145   0.347  -1.992
  389    HA   GLU  50           HA       GLU  50  -3.012  -0.077  -4.887
  390   1HB   GLU  50          HB2       GLU  50  -1.223   1.648  -4.371
  391   2HB   GLU  50          HB3       GLU  50  -0.504   0.500  -3.237
  392   1HG   GLU  50          HG2       GLU  50   0.691   0.616  -5.370
  393   2HG   GLU  50          HG3       GLU  50   0.117  -0.999  -5.007
  394    H    VAL  51           H        VAL  51  -2.042  -2.153  -5.384
  395    HA   VAL  51           HA       VAL  51  -1.788  -4.015  -3.061
  396    HB   VAL  51           HB       VAL  51  -2.457  -4.883  -5.890
  397   1HG1  VAL  51          HG11      VAL  51  -3.184  -6.928  -4.785
  398   2HG1  VAL  51          HG12      VAL  51  -1.554  -6.547  -4.215
  399   3HG1  VAL  51          HG13      VAL  51  -2.942  -6.209  -3.180
  400   1HG2  VAL  51          HG21      VAL  51  -4.817  -5.162  -5.210
  401   2HG2  VAL  51          HG22      VAL  51  -4.488  -4.294  -3.699
  402   3HG2  VAL  51          HG23      VAL  51  -4.357  -3.460  -5.264
  403    H    LYS  52           H        LYS  52   0.297  -4.535  -2.729
  404    HA   LYS  52           HA       LYS  52   2.314  -3.640  -4.678
  405   1HB   LYS  52          HB2       LYS  52   2.546  -4.791  -1.857
  406   2HB   LYS  52          HB3       LYS  52   3.869  -4.131  -2.806
  407   1HG   LYS  52          HG2       LYS  52   1.468  -2.513  -1.852
  408   2HG   LYS  52          HG3       LYS  52   3.057  -2.560  -1.089
  409   1HD   LYS  52          HD2       LYS  52   4.090  -1.689  -3.189
  410   2HD   LYS  52          HD3       LYS  52   2.470  -1.541  -3.906
  411   1HE   LYS  52          HE2       LYS  52   1.792   0.037  -2.160
  412   2HE   LYS  52          HE3       LYS  52   3.339  -0.171  -1.327
  413   1HZ   LYS  52          HZ1       LYS  52   3.030   1.002  -4.036
  414   2HZ   LYS  52          HZ2       LYS  52   3.323   1.840  -2.669
  415   3HZ   LYS  52          HZ3       LYS  52   4.445   0.813  -3.242
  416    H    LYS  53           H        LYS  53   0.558  -6.333  -4.666
  417    HA   LYS  53           HA       LYS  53   2.589  -7.980  -5.951
  418   1HB   LYS  53          HB2       LYS  53   0.984  -9.002  -3.552
  419   2HB   LYS  53          HB3       LYS  53   1.912 -10.039  -4.647
  420   1HG   LYS  53          HG2       LYS  53   3.137  -7.884  -2.897
  421   2HG   LYS  53          HG3       LYS  53   3.058  -9.593  -2.507
  422   1HD   LYS  53          HD2       LYS  53   4.370 -10.163  -4.537
  423   2HD   LYS  53          HD3       LYS  53   4.477  -8.457  -4.974
  424   1HE   LYS  53          HE2       LYS  53   5.646  -9.786  -2.510
  425   2HE   LYS  53          HE3       LYS  53   6.533  -9.184  -3.907
  426   1HZ   LYS  53          HZ1       LYS  53   6.615  -7.674  -2.053
  427   2HZ   LYS  53          HZ2       LYS  53   5.796  -6.941  -3.303
  428   3HZ   LYS  53          HZ3       LYS  53   4.994  -7.547  -1.981
  429    H    LYS  54           H        LYS  54   1.218 -10.152  -6.591
  430    HA   LYS  54           HA       LYS  54  -1.495  -9.445  -7.439
  431   1HB   LYS  54          HB2       LYS  54  -0.976 -10.015  -9.813
  432   2HB   LYS  54          HB3       LYS  54  -0.196  -8.531  -9.266
  433   1HG   LYS  54          HG2       LYS  54   1.938  -9.782  -8.935
  434   2HG   LYS  54          HG3       LYS  54   1.160 -11.254  -9.552
  435   1HD   LYS  54          HD2       LYS  54   0.776 -10.158 -11.715
  436   2HD   LYS  54          HD3       LYS  54   1.472  -8.648 -11.117
  437   1HE   LYS  54          HE2       LYS  54   2.966 -11.308 -11.316
  438   2HE   LYS  54          HE3       LYS  54   3.023 -10.031 -12.531
  439   1HZ   LYS  54          HZ1       LYS  54   4.910  -9.852 -11.109
  440   2HZ   LYS  54          HZ2       LYS  54   3.968  -8.559 -10.818
  441   3HZ   LYS  54          HZ3       LYS  54   4.029  -9.804  -9.740
  442    H    GLU  55           H        GLU  55  -2.622 -11.350  -8.224
  443    HA   GLU  55           HA       GLU  55  -2.259 -13.713  -6.811
  444   1HB   GLU  55          HB2       GLU  55  -4.294 -12.919  -7.915
  445   2HB   GLU  55          HB3       GLU  55  -3.599 -13.208  -9.510
  446   1HG   GLU  55          HG2       GLU  55  -3.648 -15.578  -9.224
  447   2HG   GLU  55          HG3       GLU  55  -3.834 -15.443  -7.487
  448    H    GLY  56           H        GLY  56  -0.740 -15.190  -6.856
  449   1HA   GLY  56          HA2       GLY  56   0.437 -16.951  -7.799
  450   2HA   GLY  56          HA3       GLY  56   0.390 -16.183  -9.390
  451    H    ASP  57           H        ASP  57   1.364 -13.710  -7.298
  452    HA   ASP  57           HA       ASP  57   4.082 -13.874  -8.266
  453   1HB   ASP  57          HB2       ASP  57   2.571 -11.803  -7.664
  454   2HB   ASP  57          HB3       ASP  57   3.236 -12.007  -6.051
  455    H    PHE  58           H        PHE  58   5.958 -13.650  -6.707
  456    HA   PHE  58           HA       PHE  58   5.869 -15.834  -4.685
  457   1HB   PHE  58          HB2       PHE  58   7.719 -15.819  -6.330
  458   2HB   PHE  58          HB3       PHE  58   8.167 -14.192  -5.832
  459    HD1  PHE  58           HD1      PHE  58   9.618 -13.842  -3.946
  460    HD2  PHE  58           HD2      PHE  58   7.847 -17.723  -4.603
  461    HE1  PHE  58           HE1      PHE  58  11.074 -14.811  -2.186
  462    HE2  PHE  58           HE2      PHE  58   9.306 -18.684  -2.842
  463    HZ   PHE  58           HZ       PHE  58  10.934 -17.234  -1.643
  464    H    VAL  59           H        VAL  59   6.293 -15.373  -2.472
  465    HA   VAL  59           HA       VAL  59   6.548 -12.565  -1.617
  466    HB   VAL  59           HB       VAL  59   4.541 -13.081  -0.064
  467   1HG1  VAL  59          HG11      VAL  59   4.548 -11.296  -1.717
  468   2HG1  VAL  59          HG12      VAL  59   3.968 -12.424  -2.971
  469   3HG1  VAL  59          HG13      VAL  59   2.950 -12.038  -1.575
  470   1HG2  VAL  59          HG21      VAL  59   3.759 -14.916  -2.373
  471   2HG2  VAL  59          HG22      VAL  59   4.126 -15.420  -0.704
  472   3HG2  VAL  59          HG23      VAL  59   2.720 -14.392  -1.054
  473    H    ASN  60           H        ASN  60   6.878 -12.403   0.764
  474    HA   ASN  60           HA       ASN  60   7.729 -14.850   2.067
  475   1HB   ASN  60          HB2       ASN  60   9.636 -13.351   0.525
  476   2HB   ASN  60          HB3       ASN  60   9.986 -13.019   2.215
  477   1HD2  ASN  60          HD22      ASN  60   9.060 -15.815   0.094
  478   2HD2  ASN  60          HD21      ASN  60  10.179 -16.942   0.830
  479    H    GLU  61           H        GLU  61   8.782 -14.361   4.243
  480    HA   GLU  61           HA       GLU  61   6.952 -12.869   5.816
  481   1HB   GLU  61          HB2       GLU  61   8.402 -14.749   6.596
  482   2HB   GLU  61          HB3       GLU  61   9.826 -13.717   6.415
  483   1HG   GLU  61          HG2       GLU  61   8.801 -12.129   8.097
  484   2HG   GLU  61          HG3       GLU  61   7.479 -13.275   8.303
  485    H    GLY  62           H        GLY  62   6.688 -10.730   5.996
  486   1HA   GLY  62          HA2       GLY  62   7.272  -8.572   6.525
  487   2HA   GLY  62          HA3       GLY  62   8.974  -8.902   6.174
  488    H    ASP  63           H        ASP  63   7.231 -10.126   3.534
  489    HA   ASP  63           HA       ASP  63   8.095  -7.888   1.865
  490   1HB   ASP  63          HB2       ASP  63   8.401 -10.321   1.295
  491   2HB   ASP  63          HB3       ASP  63   6.643 -10.457   1.136
  492    H    VAL  64           H        VAL  64   6.734  -6.355   1.023
  493    HA   VAL  64           HA       VAL  64   4.279  -5.840   2.321
  494    HB   VAL  64           HB       VAL  64   4.069  -4.018   0.606
  495   1HG1  VAL  64          HG11      VAL  64   6.757  -4.201   2.022
  496   2HG1  VAL  64          HG12      VAL  64   5.946  -2.720   1.463
  497   3HG1  VAL  64          HG13      VAL  64   5.215  -3.696   2.748
  498   1HG2  VAL  64          HG21      VAL  64   5.256  -5.176  -1.283
  499   2HG2  VAL  64          HG22      VAL  64   5.862  -3.546  -0.946
  500   3HG2  VAL  64          HG23      VAL  64   6.790  -4.959  -0.413
  501    H    LEU  65           H        LEU  65   2.151  -5.698   1.572
  502    HA   LEU  65           HA       LEU  65   1.449  -7.335  -0.838
  503   1HB   LEU  65          HB2       LEU  65   1.034  -8.701   1.139
  504   2HB   LEU  65          HB3       LEU  65   0.240  -7.361   1.957
  505    HG   LEU  65           HG       LEU  65  -1.609  -7.426   0.242
  506   1HD1  LEU  65          HD11      LEU  65  -0.455  -8.478  -1.635
  507   2HD1  LEU  65          HD12      LEU  65  -0.196  -9.958  -0.685
  508   3HD1  LEU  65          HD13      LEU  65  -1.840  -9.456  -1.149
  509   1HD2  LEU  65          HD21      LEU  65  -2.712  -9.384   1.139
  510   2HD2  LEU  65          HD22      LEU  65  -1.168  -9.997   1.759
  511   3HD2  LEU  65          HD23      LEU  65  -1.863  -8.500   2.414
  512    H    LEU  66           H        LEU  66   0.396  -4.710   1.477
  513    HA   LEU  66           HA       LEU  66  -1.377  -3.668  -0.659
  514   1HB   LEU  66          HB2       LEU  66  -2.288  -5.457   1.218
  515   2HB   LEU  66          HB3       LEU  66  -2.403  -3.982   2.157
  516    HG   LEU  66           HG       LEU  66  -4.021  -3.056   0.595
  517   1HD1  LEU  66          HD11      LEU  66  -3.485  -5.589  -1.008
  518   2HD1  LEU  66          HD12      LEU  66  -4.927  -4.560  -1.235
  519   3HD1  LEU  66          HD13      LEU  66  -3.334  -3.905  -1.548
  520   1HD2  LEU  66          HD21      LEU  66  -4.776  -4.618   2.407
  521   2HD2  LEU  66          HD22      LEU  66  -5.815  -4.739   0.980
  522   3HD2  LEU  66          HD23      LEU  66  -4.602  -5.987   1.295
  523    H    GLU  67           H        GLU  67  -1.750  -1.490  -0.481
  524    HA   GLU  67           HA       GLU  67  -0.732  -0.053   1.909
  525   1HB   GLU  67          HB2       GLU  67   0.696   0.238  -0.244
  526   2HB   GLU  67          HB3       GLU  67  -0.728   0.999  -0.950
  527   1HG   GLU  67          HG2       GLU  67   0.565   2.795  -0.220
  528   2HG   GLU  67          HG3       GLU  67  -0.648   2.646   1.048
  529    H    LEU  68           H        LEU  68  -2.207   1.476   2.677
  530    HA   LEU  68           HA       LEU  68  -4.945   1.268   1.494
  531   1HB   LEU  68          HB2       LEU  68  -4.176   1.357   4.438
  532   2HB   LEU  68          HB3       LEU  68  -5.791   1.199   3.766
  533    HG   LEU  68           HG       LEU  68  -3.588  -0.889   3.665
  534   1HD1  LEU  68          HD11      LEU  68  -6.288  -0.916   5.083
  535   2HD1  LEU  68          HD12      LEU  68  -5.043  -2.184   5.132
  536   3HD1  LEU  68          HD13      LEU  68  -4.728  -0.607   5.869
  537   1HD2  LEU  68          HD21      LEU  68  -5.309  -2.388   2.704
  538   2HD2  LEU  68          HD22      LEU  68  -6.405  -1.000   2.508
  539   3HD2  LEU  68          HD23      LEU  68  -4.863  -1.091   1.617
  540    H    SER  69           H        SER  69  -6.144   3.159   1.452
  541    HA   SER  69           HA       SER  69  -4.901   5.711   1.842
  542   1HB   SER  69          HB2       SER  69  -7.861   4.992   1.753
  543   2HB   SER  69          HB3       SER  69  -7.131   6.558   1.352
  544    HG   SER  69           HG       SER  69  -6.212   5.645  -0.460
  545    H    ASN  70           H        ASN  70  -6.624   3.503   3.972
  546    HA   ASN  70           HA       ASN  70  -6.976   5.519   6.102
  547   1HB   ASN  70          HB2       ASN  70  -8.765   3.810   5.460
  548   2HB   ASN  70          HB3       ASN  70  -7.685   2.566   6.118
  549   1HD2  ASN  70          HD22      ASN  70  -8.784   1.911   8.004
  550   2HD2  ASN  70          HD21      ASN  70  -9.312   3.030   9.240
  551    H    SER  71           H        SER  71  -4.212   4.369   5.184
  552    HA   SER  71           HA       SER  71  -3.262   2.578   7.162
  553   1HB   SER  71          HB2       SER  71  -0.993   3.457   6.319
  554   2HB   SER  71          HB3       SER  71  -2.084   2.692   5.158
  555    HG   SER  71           HG       SER  71  -2.390   4.458   4.148
  556    H    THR  72           H        THR  72  -4.105   5.872   7.587
  557    HA   THR  72           HA       THR  72  -2.289   6.615   9.673
  558    HB   THR  72           HB       THR  72  -4.350   8.185  10.118
  559    HG1  THR  72           HG1      THR  72  -5.844   8.230   8.495
  560   1HG2  THR  72          HG21      THR  72  -3.753   9.603   8.186
  561   2HG2  THR  72          HG22      THR  72  -2.303   8.899   8.914
  562   3HG2  THR  72          HG23      THR  72  -2.944   8.227   7.399
  563    H    GLN  73           H        GLN  73  -5.175   4.570   9.518
  564    HA   GLN  73           HA       GLN  73  -5.692   4.578  12.379
  565   1HB   GLN  73          HB2       GLN  73  -7.498   4.046  10.814
  566   2HB   GLN  73          HB3       GLN  73  -6.552   2.722  10.122
  567   1HG   GLN  73          HG2       GLN  73  -8.291   1.847  11.555
  568   2HG   GLN  73          HG3       GLN  73  -6.711   1.446  12.205
  569   1HE2  GLN  73          HE22      GLN  73  -5.889   2.856  14.023
  570   2HE2  GLN  73          HE21      GLN  73  -7.073   3.477  15.174
  571    HN3  BTI 135           HN3      BTL  35  -4.520 -25.643  -1.785
  572    HN2  BTI 135           HN2      BTL  35  -2.795 -25.183  -5.385
  573    H4   BTI 135           H4       BTL  35  -1.418 -24.003  -3.598
  574    H2   BTI 135           H2       BTL  35   0.225 -25.660  -3.202
  575    H62  BTI 135           H62      BTL  35  -0.943 -26.081  -0.838
  576    H63  BTI 135           H63      BTL  35  -2.483 -26.972  -0.805
  577    H5   BTI 135           H5       BTL  35  -2.371 -24.341  -1.496
  578    H72  BTI 135           H72      BTL  35  -1.093 -26.920  -5.616
  579    H73  BTI 135           H73      BTL  35  -0.274 -25.346  -5.678
  580    H82  BTI 135           H82      BTL  35   1.826 -26.327  -4.953
  581    H83  BTI 135           H83      BTL  35   1.048 -27.901  -4.694
  582    H92  BTI 135           H92      BTL  35   0.570 -28.115  -7.083
  583    H93  BTI 135           H93      BTL  35   1.181 -26.486  -7.395
  584   H102  BTI 135          H102      BTL  35   2.822 -28.202  -8.054
  585   H103  BTI 135          H103      BTL  35   3.443 -27.143  -6.791
  Start of MODEL    7
    1   1H    THR   2           H1       THR   2   1.440   0.008   3.579
    2   2H    THR   2           H2       THR   2   2.394  -1.203   4.169
    3   3H    THR   2           H3       THR   2   1.145  -1.540   3.156
    4    HA   THR   2           HA       THR   2   0.991  -0.544   5.900
    5    HB   THR   2           HB       THR   2  -1.387  -1.127   4.119
    6    HG1  THR   2           HG1      THR   2  -0.258   1.381   4.818
    7   1HG2  THR   2          HG21      THR   2  -2.601   0.179   5.887
    8   2HG2  THR   2          HG22      THR   2  -1.956  -1.364   6.467
    9   3HG2  THR   2          HG23      THR   2  -1.126   0.157   6.871
   10    H    VAL   3           H        VAL   3  -0.649  -3.187   3.927
   11    HA   VAL   3           HA       VAL   3  -0.116  -4.994   6.221
   12    HB   VAL   3           HB       VAL   3  -1.648  -5.851   3.777
   13   1HG1  VAL   3          HG11      VAL   3  -1.136  -7.533   5.465
   14   2HG1  VAL   3          HG12      VAL   3  -1.893  -6.532   6.722
   15   3HG1  VAL   3          HG13      VAL   3  -2.870  -7.225   5.408
   16   1HG2  VAL   3          HG21      VAL   3  -2.896  -4.232   6.045
   17   2HG2  VAL   3          HG22      VAL   3  -2.811  -3.741   4.337
   18   3HG2  VAL   3          HG23      VAL   3  -3.791  -5.129   4.793
   19    H    SER   4           H        SER   4   1.071  -6.930   5.869
   20    HA   SER   4           HA       SER   4   2.597  -7.228   3.357
   21   1HB   SER   4          HB2       SER   4   3.830  -7.110   6.140
   22   2HB   SER   4          HB3       SER   4   4.697  -7.411   4.632
   23    HG   SER   4           HG       SER   4   4.828  -5.211   5.384
   24    H    ILE   5           H        ILE   5   3.728  -9.291   3.362
   25    HA   ILE   5           HA       ILE   5   2.044 -11.461   4.308
   26    HB   ILE   5           HB       ILE   5   4.614 -11.356   2.664
   27   1HG1  ILE   5          HG12      ILE   5   2.934 -10.165   1.439
   28   2HG1  ILE   5          HG13      ILE   5   3.099 -11.738   0.713
   29   1HG2  ILE   5          HG21      ILE   5   3.835 -13.658   1.874
   30   2HG2  ILE   5          HG22      ILE   5   4.438 -13.567   3.512
   31   3HG2  ILE   5          HG23      ILE   5   2.680 -13.641   3.213
   32   1HD1  ILE   5          HD11      ILE   5   1.069 -12.500   2.006
   33   2HD1  ILE   5          HD12      ILE   5   0.848 -10.809   2.514
   34   3HD1  ILE   5          HD13      ILE   5   0.777 -11.244   0.793
   35    H    GLN   6           H        GLN   6   2.918 -13.266   5.443
   36    HA   GLN   6           HA       GLN   6   4.828 -12.507   7.601
   37   1HB   GLN   6          HB2       GLN   6   3.247 -13.446   9.176
   38   2HB   GLN   6          HB3       GLN   6   2.478 -12.179   8.233
   39   1HG   GLN   6          HG2       GLN   6   2.118 -15.185   7.745
   40   2HG   GLN   6          HG3       GLN   6   1.011 -14.165   8.654
   41   1HE2  GLN   6          HE22      GLN   6  -0.127 -12.397   7.454
   42   2HE2  GLN   6          HE21      GLN   6  -0.393 -12.584   5.737
   43    H    MET   7           H        MET   7   4.357 -14.719   5.112
   44    HA   MET   7           HA       MET   7   6.130 -16.688   6.375
   45   1HB   MET   7          HB2       MET   7   3.954 -17.475   7.080
   46   2HB   MET   7          HB3       MET   7   3.276 -17.251   5.469
   47   1HG   MET   7          HG2       MET   7   3.695 -19.601   6.051
   48   2HG   MET   7          HG3       MET   7   4.508 -19.079   4.589
   49   1HE   MET   7          HE1       MET   7   6.890 -21.833   5.725
   50   2HE   MET   7          HE2       MET   7   5.111 -21.786   5.751
   51   3HE   MET   7          HE3       MET   7   5.995 -21.082   4.383
   52    H    ALA   8           H        ALA   8   7.205 -17.950   4.823
   53    HA   ALA   8           HA       ALA   8   7.648 -16.846   2.208
   54   1HB   ALA   8          HB1       ALA   8   8.457 -19.486   3.474
   55   2HB   ALA   8          HB2       ALA   8   9.088 -18.830   1.951
   56   3HB   ALA   8          HB3       ALA   8   9.402 -17.969   3.475
   57    H    GLY   9           H        GLY   9   6.727 -17.352   0.272
   58   1HA   GLY   9          HA2       GLY   9   5.479 -19.808  -0.367
   59   2HA   GLY   9          HA3       GLY   9   4.253 -18.760   0.351
   60    H    ASN  10           H        ASN  10   3.180 -18.942  -1.601
   61    HA   ASN  10           HA       ASN  10   4.013 -17.049  -3.740
   62   1HB   ASN  10          HB2       ASN  10   2.869 -19.859  -4.106
   63   2HB   ASN  10          HB3       ASN  10   3.030 -18.655  -5.384
   64   1HD2  ASN  10          HD21      ASN  10   4.763 -21.006  -3.392
   65   2HD2  ASN  10          HD22      ASN  10   6.336 -20.750  -4.124
   66    H    LEU  11           H        LEU  11   2.274 -15.778  -4.331
   67    HA   LEU  11           HA       LEU  11   0.132 -15.744  -2.384
   68   1HB   LEU  11          HB2       LEU  11   1.595 -13.804  -3.204
   69   2HB   LEU  11          HB3       LEU  11   0.669 -13.847  -4.686
   70    HG   LEU  11           HG       LEU  11  -1.420 -13.402  -3.339
   71   1HD1  LEU  11          HD11      LEU  11  -0.860 -14.240  -1.150
   72   2HD1  LEU  11          HD12      LEU  11   0.600 -13.225  -1.054
   73   3HD1  LEU  11          HD13      LEU  11  -1.006 -12.487  -0.988
   74   1HD2  LEU  11          HD21      LEU  11  -0.093 -11.570  -4.390
   75   2HD2  LEU  11          HD22      LEU  11  -0.880 -11.038  -2.903
   76   3HD2  LEU  11          HD23      LEU  11   0.856 -11.416  -2.893
   77    H    TRP  12           H        TRP  12  -0.585 -17.817  -3.226
   78    HA   TRP  12           HA       TRP  12  -1.565 -18.735  -5.511
   79   1HB   TRP  12          HB2       TRP  12  -1.504 -19.993  -3.519
   80   2HB   TRP  12          HB3       TRP  12  -2.616 -18.927  -2.689
   81    HD1  TRP  12           HD1      TRP  12  -4.187 -19.997  -5.915
   82    HE1  TRP  12           HE1      TRP  12  -5.924 -21.789  -5.468
   83    HE3  TRP  12           HE3      TRP  12  -2.879 -21.172  -1.128
   84    HZ2  TRP  12           HZ2      TRP  12  -6.838 -23.363  -3.196
   85    HZ3  TRP  12           HZ3      TRP  12  -4.241 -22.738   0.187
   86    HH2  TRP  12           HH2      TRP  12  -6.221 -23.857  -0.831
   87    H    LYS  13           H        LYS  13  -3.553 -16.507  -3.441
   88    HA   LYS  13           HA       LYS  13  -4.964 -15.682  -5.867
   89   1HB   LYS  13          HB2       LYS  13  -6.463 -16.902  -3.537
   90   2HB   LYS  13          HB3       LYS  13  -7.190 -15.780  -4.700
   91   1HG   LYS  13          HG2       LYS  13  -6.493 -17.290  -6.579
   92   2HG   LYS  13          HG3       LYS  13  -5.985 -18.478  -5.376
   93   1HD   LYS  13          HD2       LYS  13  -8.817 -17.421  -5.732
   94   2HD   LYS  13          HD3       LYS  13  -8.196 -18.983  -6.301
   95   1HE   LYS  13          HE2       LYS  13  -7.567 -19.542  -3.937
   96   2HE   LYS  13          HE3       LYS  13  -8.351 -18.048  -3.407
   97   1HZ   LYS  13          HZ1       LYS  13 -10.454 -18.923  -4.299
   98   2HZ   LYS  13          HZ2       LYS  13  -9.724 -20.303  -4.776
   99   3HZ   LYS  13          HZ3       LYS  13  -9.844 -19.952  -3.192
  100    H    VAL  14           H        VAL  14  -6.125 -13.713  -5.585
  101    HA   VAL  14           HA       VAL  14  -5.500 -12.118  -3.193
  102    HB   VAL  14           HB       VAL  14  -4.834 -11.320  -6.069
  103   1HG1  VAL  14          HG11      VAL  14  -4.699  -9.666  -3.505
  104   2HG1  VAL  14          HG12      VAL  14  -4.032  -9.184  -5.082
  105   3HG1  VAL  14          HG13      VAL  14  -5.772  -9.371  -4.906
  106   1HG2  VAL  14          HG21      VAL  14  -3.102 -11.675  -3.586
  107   2HG2  VAL  14          HG22      VAL  14  -3.053 -12.676  -5.050
  108   3HG2  VAL  14          HG23      VAL  14  -2.534 -10.990  -5.123
  109    H    HIS  15           H        HIS  15  -7.104 -10.641  -2.814
  110    HA   HIS  15           HA       HIS  15  -9.604 -10.840  -4.436
  111   1HB   HIS  15          HB2       HIS  15  -9.393 -11.103  -1.414
  112   2HB   HIS  15          HB3       HIS  15 -10.846 -11.288  -2.394
  113    HD1  HIS  15           HD1      HIS  15 -10.522 -13.501  -4.297
  114    HD2  HIS  15           HD2      HIS  15  -8.172 -13.307  -0.813
  115    HE1  HIS  15           HE1      HIS  15  -9.535 -15.827  -3.960
  116    H    VAL  16           H        VAL  16  -7.388  -8.728  -3.704
  117    HA   VAL  16           HA       VAL  16  -9.240  -6.492  -3.045
  118    HB   VAL  16           HB       VAL  16  -7.052  -5.367  -2.295
  119   1HG1  VAL  16          HG11      VAL  16  -8.870  -6.097  -0.804
  120   2HG1  VAL  16          HG12      VAL  16  -8.111  -7.693  -0.654
  121   3HG1  VAL  16          HG13      VAL  16  -7.279  -6.235  -0.039
  122   1HG2  VAL  16          HG21      VAL  16  -6.056  -8.241  -1.991
  123   2HG2  VAL  16          HG22      VAL  16  -5.459  -7.087  -3.204
  124   3HG2  VAL  16          HG23      VAL  16  -5.233  -6.775  -1.481
  125    H    LYS  17           H        LYS  17  -8.759  -4.480  -4.102
  126    HA   LYS  17           HA       LYS  17  -6.894  -4.485  -6.344
  127   1HB   LYS  17          HB2       LYS  17  -9.854  -3.752  -6.663
  128   2HB   LYS  17          HB3       LYS  17  -8.595  -3.468  -7.869
  129   1HG   LYS  17          HG2       LYS  17  -8.205  -5.951  -7.980
  130   2HG   LYS  17          HG3       LYS  17  -9.605  -6.178  -6.916
  131   1HD   LYS  17          HD2       LYS  17  -9.662  -4.844  -9.657
  132   2HD   LYS  17          HD3       LYS  17 -10.139  -6.512  -9.311
  133   1HE   LYS  17          HE2       LYS  17 -11.909  -5.683  -7.762
  134   2HE   LYS  17          HE3       LYS  17 -11.463  -4.017  -8.154
  135   1HZ   LYS  17          HZ1       LYS  17 -12.506  -6.001 -10.092
  136   2HZ   LYS  17          HZ2       LYS  17 -13.345  -4.756  -9.464
  137   3HZ   LYS  17          HZ3       LYS  17 -12.089  -4.462 -10.458
  138    H    ALA  18           H        ALA  18  -6.465  -2.155  -6.930
  139    HA   ALA  18           HA       ALA  18  -6.500  -0.270  -4.816
  140   1HB   ALA  18          HB1       ALA  18  -6.447   0.200  -7.828
  141   2HB   ALA  18          HB2       ALA  18  -6.029   1.390  -6.579
  142   3HB   ALA  18          HB3       ALA  18  -5.030  -0.061  -6.781
  143    H    GLY  19           H        GLY  19  -8.017   1.118  -4.058
  144   1HA   GLY  19          HA2       GLY  19  -9.868   2.455  -4.015
  145   2HA   GLY  19          HA3       GLY  19 -10.383   1.855  -5.595
  146    H    ASP  20           H        ASP  20  -9.862  -1.016  -3.961
  147    HA   ASP  20           HA       ASP  20 -12.710  -1.314  -3.434
  148   1HB   ASP  20          HB2       ASP  20 -11.250  -3.105  -4.414
  149   2HB   ASP  20          HB3       ASP  20 -10.419  -3.228  -2.858
  150    H    GLN  21           H        GLN  21 -13.595  -2.018  -1.381
  151    HA   GLN  21           HA       GLN  21 -12.380  -0.690   0.990
  152   1HB   GLN  21          HB2       GLN  21 -14.766  -0.243   0.455
  153   2HB   GLN  21          HB3       GLN  21 -15.097  -1.970   0.451
  154   1HG   GLN  21          HG2       GLN  21 -15.938  -1.143   2.491
  155   2HG   GLN  21          HG3       GLN  21 -14.507  -2.055   2.907
  156   1HE2  GLN  21          HE22      GLN  21 -13.215  -1.000   4.468
  157   2HE2  GLN  21          HE21      GLN  21 -13.207   0.731   4.695
  158    H    ILE  22           H        ILE  22 -11.646  -1.919   2.722
  159    HA   ILE  22           HA       ILE  22 -12.275  -4.803   2.857
  160    HB   ILE  22           HB       ILE  22 -10.007  -5.333   3.578
  161   1HG1  ILE  22          HG12      ILE  22  -9.190  -2.512   2.755
  162   2HG1  ILE  22          HG13      ILE  22  -9.298  -3.108   4.416
  163   1HG2  ILE  22          HG21      ILE  22 -10.692  -5.608   1.199
  164   2HG2  ILE  22          HG22      ILE  22  -9.944  -4.040   0.825
  165   3HG2  ILE  22          HG23      ILE  22  -8.956  -5.386   1.420
  166   1HD1  ILE  22          HD11      ILE  22  -7.341  -3.982   2.263
  167   2HD1  ILE  22          HD12      ILE  22  -7.012  -3.213   3.832
  168   3HD1  ILE  22          HD13      ILE  22  -7.580  -4.885   3.772
  169    H    GLU  23           H        GLU  23 -11.719  -5.639   5.098
  170    HA   GLU  23           HA       GLU  23 -12.382  -3.672   7.179
  171   1HB   GLU  23          HB2       GLU  23 -14.505  -4.475   6.086
  172   2HB   GLU  23          HB3       GLU  23 -14.061  -6.132   6.523
  173   1HG   GLU  23          HG2       GLU  23 -14.051  -5.480   8.919
  174   2HG   GLU  23          HG3       GLU  23 -14.430  -3.816   8.464
  175    H    LYS  24           H        LYS  24 -11.545  -4.445   9.185
  176    HA   LYS  24           HA       LYS  24  -9.331  -6.118   9.085
  177   1HB   LYS  24          HB2       LYS  24  -9.877  -4.464  10.868
  178   2HB   LYS  24          HB3       LYS  24 -11.090  -5.572  11.520
  179   1HG   LYS  24          HG2       LYS  24  -9.357  -7.243  12.011
  180   2HG   LYS  24          HG3       LYS  24  -8.133  -6.260  11.192
  181   1HD   LYS  24          HD2       LYS  24  -8.524  -4.436  12.870
  182   2HD   LYS  24          HD3       LYS  24  -9.640  -5.492  13.740
  183   1HE   LYS  24          HE2       LYS  24  -6.691  -6.082  13.187
  184   2HE   LYS  24          HE3       LYS  24  -7.310  -5.390  14.686
  185   1HZ   LYS  24          HZ1       LYS  24  -7.000  -7.750  14.918
  186   2HZ   LYS  24          HZ2       LYS  24  -8.589  -7.425  15.034
  187   3HZ   LYS  24          HZ3       LYS  24  -7.981  -8.089  13.665
  188    H    GLY  25           H        GLY  25  -9.016  -8.266   8.966
  189   1HA   GLY  25          HA2       GLY  25  -9.371 -10.517   9.408
  190   2HA   GLY  25          HA3       GLY  25 -10.966 -10.167  10.062
  191    H    GLN  26           H        GLN  26 -10.912  -8.611   7.033
  192    HA   GLN  26           HA       GLN  26 -12.466 -10.748   5.779
  193   1HB   GLN  26          HB2       GLN  26 -12.822  -8.145   5.703
  194   2HB   GLN  26          HB3       GLN  26 -11.557  -8.153   4.477
  195   1HG   GLN  26          HG2       GLN  26 -14.259  -9.579   4.418
  196   2HG   GLN  26          HG3       GLN  26 -13.819  -8.136   3.508
  197   1HE2  GLN  26          HE22      GLN  26 -11.848  -8.435   1.952
  198   2HE2  GLN  26          HE21      GLN  26 -11.572 -10.031   1.286
  199    H    GLU  27           H        GLU  27 -11.678 -11.978   4.031
  200    HA   GLU  27           HA       GLU  27  -8.835 -12.534   3.960
  201   1HB   GLU  27          HB2       GLU  27 -10.599 -14.248   3.817
  202   2HB   GLU  27          HB3       GLU  27 -11.153 -13.571   2.283
  203   1HG   GLU  27          HG2       GLU  27  -8.980 -14.140   1.237
  204   2HG   GLU  27          HG3       GLU  27  -8.364 -14.704   2.792
  205    H    VAL  28           H        VAL  28  -7.426 -11.269   2.902
  206    HA   VAL  28           HA       VAL  28  -8.320  -9.752   0.515
  207    HB   VAL  28           HB       VAL  28  -6.249  -8.425   0.928
  208   1HG1  VAL  28          HG11      VAL  28  -8.517  -7.725   1.742
  209   2HG1  VAL  28          HG12      VAL  28  -8.170  -8.488   3.294
  210   3HG1  VAL  28          HG13      VAL  28  -7.187  -7.111   2.745
  211   1HG2  VAL  28          HG21      VAL  28  -6.144  -9.831   3.630
  212   2HG2  VAL  28          HG22      VAL  28  -4.963 -10.064   2.320
  213   3HG2  VAL  28          HG23      VAL  28  -5.134  -8.484   3.096
  214    H    ALA  29           H        ALA  29  -6.103 -12.381   1.572
  215    HA   ALA  29           HA       ALA  29  -5.768 -13.076  -1.219
  216   1HB   ALA  29          HB1       ALA  29  -4.006 -11.379  -1.102
  217   2HB   ALA  29          HB2       ALA  29  -3.365 -12.085   0.388
  218   3HB   ALA  29          HB3       ALA  29  -3.264 -12.978  -1.146
  219    H    ILE  30           H        ILE  30  -4.108 -15.027  -1.250
  220    HA   ILE  30           HA       ILE  30  -4.187 -16.587   1.277
  221    HB   ILE  30           HB       ILE  30  -5.003 -17.746  -1.425
  222   1HG1  ILE  30          HG12      ILE  30  -6.768 -17.099   0.982
  223   2HG1  ILE  30          HG13      ILE  30  -6.825 -16.335  -0.608
  224   1HG2  ILE  30          HG21      ILE  30  -5.006 -19.015   1.356
  225   2HG2  ILE  30          HG22      ILE  30  -5.495 -19.803  -0.162
  226   3HG2  ILE  30          HG23      ILE  30  -3.832 -19.351   0.066
  227   1HD1  ILE  30          HD11      ILE  30  -8.622 -17.851  -0.613
  228   2HD1  ILE  30          HD12      ILE  30  -7.351 -18.639  -1.578
  229   3HD1  ILE  30          HD13      ILE  30  -7.658 -19.158   0.094
  230    H    LEU  31           H        LEU  31  -2.382 -17.848   1.532
  231    HA   LEU  31           HA       LEU  31  -0.202 -17.709  -0.487
  232   1HB   LEU  31          HB2       LEU  31  -0.270 -18.537   2.437
  233   2HB   LEU  31          HB3       LEU  31   1.134 -18.730   1.420
  234    HG   LEU  31           HG       LEU  31  -0.140 -16.127   2.305
  235   1HD1  LEU  31          HD11      LEU  31   2.585 -17.399   2.836
  236   2HD1  LEU  31          HD12      LEU  31   2.037 -15.827   3.444
  237   3HD1  LEU  31          HD13      LEU  31   1.227 -17.303   3.981
  238   1HD2  LEU  31          HD21      LEU  31   2.202 -16.609   0.387
  239   2HD2  LEU  31          HD22      LEU  31   0.688 -15.770   0.000
  240   3HD2  LEU  31          HD23      LEU  31   1.821 -15.040   1.133
  241    H    GLU  32           H        GLU  32   0.203 -19.411  -1.568
  242    HA   GLU  32           HA       GLU  32  -0.208 -22.141  -0.513
  243   1HB   GLU  32          HB2       GLU  32  -0.445 -22.087  -2.917
  244   2HB   GLU  32          HB3       GLU  32   0.907 -20.984  -3.120
  245   1HG   GLU  32          HG2       GLU  32   1.550 -23.638  -1.855
  246   2HG   GLU  32          HG3       GLU  32   1.012 -23.666  -3.525
  247    H    SER  33           H        SER  33   1.552 -22.932   0.578
  248    HA   SER  33           HA       SER  33   4.076 -21.348   0.626
  249   1HB   SER  33          HB2       SER  33   2.207 -22.020   2.887
  250   2HB   SER  33          HB3       SER  33   3.956 -21.980   3.185
  251    HG   SER  33           HG       SER  33   4.020 -19.877   2.548
  252    H    MET  34           H        MET  34   4.593 -23.005  -0.912
  253    HA   MET  34           HA       MET  34   5.534 -24.943  -1.549
  254   1HB   MET  34          HB2       MET  34   6.605 -24.998   1.306
  255   2HB   MET  34          HB3       MET  34   7.221 -25.925  -0.065
  256   1HG   MET  34          HG2       MET  34   8.682 -24.125   0.068
  257   2HG   MET  34          HG3       MET  34   7.610 -23.711  -1.261
  258   1HE   MET  34          HE1       MET  34   8.091 -21.213  -1.444
  259   2HE   MET  34          HE2       MET  34   8.335 -20.133  -0.056
  260   3HE   MET  34          HE3       MET  34   9.445 -21.496  -0.325
  261    H    LYS  35           H        BTL  35   2.979 -25.193  -1.171
  262    HA   LYS  35           HA       BTL  35   1.409 -26.658  -1.399
  263   1HB   LYS  35          HB2       BTL  35   3.072 -28.909  -0.229
  264   2HB   LYS  35          HB3       BTL  35   1.565 -29.022  -1.136
  265   1HG   LYS  35          HG2       BTL  35   2.779 -27.822  -3.056
  266   2HG   LYS  35          HG3       BTL  35   4.282 -28.163  -2.182
  267   1HD   LYS  35          HD2       BTL  35   3.639 -30.614  -2.180
  268   2HD   LYS  35          HD3       BTL  35   2.264 -30.201  -3.216
  269   1HE   LYS  35          HE2       BTL  35   5.224 -29.862  -3.864
  270   2HE   LYS  35          HE3       BTL  35   4.112 -31.033  -4.587
  271   1HZ   LYS  35          HZ1       BTL  35   4.272 -28.131  -5.083
  272    H    MET  36           H        MET  36   2.238 -25.264   1.356
  273    HA   MET  36           HA       MET  36   0.059 -26.483   2.971
  274   1HB   MET  36          HB2       MET  36   2.042 -24.274   3.653
  275   2HB   MET  36          HB3       MET  36   0.825 -24.955   4.730
  276   1HG   MET  36          HG2       MET  36   1.881 -27.181   4.552
  277   2HG   MET  36          HG3       MET  36   3.143 -26.514   3.516
  278   1HE   MET  36          HE1       MET  36   4.031 -23.787   4.780
  279   2HE   MET  36          HE2       MET  36   5.310 -24.357   5.872
  280   3HE   MET  36          HE3       MET  36   5.124 -25.089   4.263
  281    H    GLU  37           H        GLU  37  -1.468 -24.796   3.918
  282    HA   GLU  37           HA       GLU  37  -2.311 -22.876   1.782
  283   1HB   GLU  37          HB2       GLU  37  -3.969 -24.798   3.491
  284   2HB   GLU  37          HB3       GLU  37  -4.614 -23.638   2.331
  285   1HG   GLU  37          HG2       GLU  37  -3.564 -24.876   0.479
  286   2HG   GLU  37          HG3       GLU  37  -2.773 -25.968   1.607
  287    H    ILE  38           H        ILE  38  -2.315 -20.796   2.669
  288    HA   ILE  38           HA       ILE  38  -3.089 -20.520   5.535
  289    HB   ILE  38           HB       ILE  38  -0.683 -19.074   4.416
  290   1HG1  ILE  38          HG12      ILE  38  -0.592 -21.661   6.019
  291   2HG1  ILE  38          HG13      ILE  38  -0.123 -21.478   4.323
  292   1HG2  ILE  38          HG21      ILE  38  -1.561 -19.639   7.276
  293   2HG2  ILE  38          HG22      ILE  38  -0.242 -18.568   6.750
  294   3HG2  ILE  38          HG23      ILE  38  -1.906 -18.137   6.395
  295   1HD1  ILE  38          HD11      ILE  38   1.292 -20.256   6.698
  296   2HD1  ILE  38          HD12      ILE  38   1.874 -21.496   5.575
  297   3HD1  ILE  38          HD13      ILE  38   1.623 -19.838   4.996
  298    HA   PRO  39           HA       PRO  39  -5.504 -17.272   3.359
  299   1HB   PRO  39          HB2       PRO  39  -6.285 -16.721   6.221
  300   2HB   PRO  39          HB3       PRO  39  -7.323 -16.830   4.772
  301   1HG   PRO  39          HG2       PRO  39  -7.226 -18.877   6.565
  302   2HG   PRO  39          HG3       PRO  39  -7.272 -19.211   4.803
  303   1HD   PRO  39          HD2       PRO  39  -4.869 -19.203   6.648
  304   2HD   PRO  39          HD3       PRO  39  -5.315 -20.379   5.371
  305    H    ILE  40           H        ILE  40  -5.404 -14.924   3.397
  306    HA   ILE  40           HA       ILE  40  -3.682 -13.670   5.453
  307    HB   ILE  40           HB       ILE  40  -3.714 -12.858   2.529
  308   1HG1  ILE  40          HG12      ILE  40  -1.233 -13.994   3.845
  309   2HG1  ILE  40          HG13      ILE  40  -2.373 -15.083   3.049
  310   1HG2  ILE  40          HG21      ILE  40  -2.161 -11.920   4.986
  311   2HG2  ILE  40          HG22      ILE  40  -1.740 -11.425   3.348
  312   3HG2  ILE  40          HG23      ILE  40  -3.311 -10.983   4.017
  313   1HD1  ILE  40          HD11      ILE  40  -0.457 -14.146   1.606
  314   2HD1  ILE  40          HD12      ILE  40  -2.097 -14.130   0.944
  315   3HD1  ILE  40          HD13      ILE  40  -1.359 -12.644   1.569
  316    H    VAL  41           H        VAL  41  -4.880 -12.219   6.464
  317    HA   VAL  41           HA       VAL  41  -7.386 -11.235   5.228
  318    HB   VAL  41           HB       VAL  41  -8.210 -11.226   7.634
  319   1HG1  VAL  41          HG11      VAL  41  -9.127 -12.832   6.092
  320   2HG1  VAL  41          HG12      VAL  41  -7.702 -13.889   6.231
  321   3HG1  VAL  41          HG13      VAL  41  -8.811 -13.668   7.601
  322   1HG2  VAL  41          HG21      VAL  41  -6.043 -13.342   8.073
  323   2HG2  VAL  41          HG22      VAL  41  -5.948 -11.678   8.721
  324   3HG2  VAL  41          HG23      VAL  41  -7.245 -12.765   9.236
  325    H    ALA  42           H        ALA  42  -8.040  -9.118   5.852
  326    HA   ALA  42           HA       ALA  42  -5.937  -7.250   5.746
  327   1HB   ALA  42          HB1       ALA  42  -7.701  -5.569   6.068
  328   2HB   ALA  42          HB2       ALA  42  -8.291  -6.839   4.975
  329   3HB   ALA  42          HB3       ALA  42  -8.802  -6.813   6.672
  330    H    ASP  43           H        ASP  43  -4.616  -6.546   7.280
  331    HA   ASP  43           HA       ASP  43  -4.796  -7.179  10.049
  332   1HB   ASP  43          HB2       ASP  43  -2.676  -6.739   8.962
  333   2HB   ASP  43          HB3       ASP  43  -3.172  -5.092   8.550
  334    H    ARG  44           H        ARG  44  -6.042  -4.412   8.215
  335    HA   ARG  44           HA       ARG  44  -7.683  -3.663  10.467
  336   1HB   ARG  44          HB2       ARG  44  -7.076  -1.292  10.507
  337   2HB   ARG  44          HB3       ARG  44  -5.743  -2.309  11.007
  338   1HG   ARG  44          HG2       ARG  44  -5.435  -1.868   8.173
  339   2HG   ARG  44          HG3       ARG  44  -5.859  -0.320   8.890
  340   1HD   ARG  44          HD2       ARG  44  -3.575  -2.135   9.763
  341   2HD   ARG  44          HD3       ARG  44  -3.413  -0.709   8.752
  342    HE   ARG  44           HE       ARG  44  -4.035   0.707  10.594
  343   1HH1  ARG  44          HH21      ARG  44  -3.105  -2.636  11.573
  344   2HH1  ARG  44          HH22      ARG  44  -2.860  -2.169  13.216
  345   1HH2  ARG  44          HH11      ARG  44  -3.509   1.279  12.726
  346   2HH2  ARG  44          HH12      ARG  44  -3.075   0.058  13.877
  347    H    SER  45           H        SER  45  -9.461  -2.244   9.743
  348    HA   SER  45           HA       SER  45 -10.377  -2.749   7.085
  349   1HB   SER  45          HB2       SER  45 -11.251  -0.622   9.094
  350   2HB   SER  45          HB3       SER  45 -12.226  -1.299   7.773
  351    HG   SER  45           HG       SER  45 -12.611  -2.209   9.913
  352    H    GLY  46           H        GLY  46 -10.812  -1.073   5.399
  353   1HA   GLY  46          HA2       GLY  46 -10.250   1.594   5.479
  354   2HA   GLY  46          HA3       GLY  46  -8.662   0.889   5.131
  355    H    ILE  47           H        ILE  47  -9.273   2.382   3.165
  356    HA   ILE  47           HA       ILE  47 -10.483   0.651   1.058
  357    HB   ILE  47           HB       ILE  47 -10.019   3.657   1.119
  358   1HG1  ILE  47          HG12      ILE  47 -12.502   1.879   0.938
  359   2HG1  ILE  47          HG13      ILE  47 -12.033   2.891   2.303
  360   1HG2  ILE  47          HG21      ILE  47 -10.885   3.707  -1.193
  361   2HG2  ILE  47          HG22      ILE  47  -9.415   2.759  -1.124
  362   3HG2  ILE  47          HG23      ILE  47 -10.988   1.931  -1.206
  363   1HD1  ILE  47          HD11      ILE  47 -12.324   4.916   0.821
  364   2HD1  ILE  47          HD12      ILE  47 -13.024   3.824  -0.409
  365   3HD1  ILE  47          HD13      ILE  47 -13.806   3.998   1.166
  366    H    VAL  48           H        VAL  48  -9.117  -0.086  -0.500
  367    HA   VAL  48           HA       VAL  48  -6.296  -0.165   0.125
  368    HB   VAL  48           HB       VAL  48  -7.923  -1.126  -2.260
  369   1HG1  VAL  48          HG11      VAL  48  -5.930  -2.654  -2.620
  370   2HG1  VAL  48          HG12      VAL  48  -5.612  -0.955  -2.960
  371   3HG1  VAL  48          HG13      VAL  48  -5.033  -1.648  -1.447
  372   1HG2  VAL  48          HG21      VAL  48  -6.941  -2.617   0.215
  373   2HG2  VAL  48          HG22      VAL  48  -8.624  -2.256  -0.194
  374   3HG2  VAL  48          HG23      VAL  48  -7.709  -3.370  -1.202
  375    H    LYS  49           H        LYS  49  -4.736   1.214  -0.578
  376    HA   LYS  49           HA       LYS  49  -5.380   3.276  -2.602
  377   1HB   LYS  49          HB2       LYS  49  -4.059   3.851  -0.512
  378   2HB   LYS  49          HB3       LYS  49  -2.790   2.746  -1.065
  379   1HG   LYS  49          HG2       LYS  49  -2.676   4.149  -3.214
  380   2HG   LYS  49          HG3       LYS  49  -3.767   5.294  -2.413
  381   1HD   LYS  49          HD2       LYS  49  -2.053   5.504  -0.553
  382   2HD   LYS  49          HD3       LYS  49  -1.014   4.389  -1.454
  383   1HE   LYS  49          HE2       LYS  49  -0.221   6.601  -1.890
  384   2HE   LYS  49          HE3       LYS  49  -0.959   5.983  -3.368
  385   1HZ   LYS  49          HZ1       LYS  49  -2.926   7.325  -2.857
  386   2HZ   LYS  49          HZ2       LYS  49  -2.241   7.876  -1.474
  387   3HZ   LYS  49          HZ3       LYS  49  -1.601   8.268  -2.917
  388    H    GLU  50           H        GLU  50  -3.174   0.416  -1.997
  389    HA   GLU  50           HA       GLU  50  -3.057  -0.061  -4.893
  390   1HB   GLU  50          HB2       GLU  50  -1.287   1.716  -4.235
  391   2HB   GLU  50          HB3       GLU  50  -0.492   0.438  -3.306
  392   1HG   GLU  50          HG2       GLU  50  -0.079  -0.851  -5.305
  393   2HG   GLU  50          HG3       GLU  50  -1.152   0.182  -6.263
  394    H    VAL  51           H        VAL  51  -2.148  -2.193  -5.330
  395    HA   VAL  51           HA       VAL  51  -1.792  -3.936  -2.938
  396    HB   VAL  51           HB       VAL  51  -2.631  -4.915  -5.689
  397   1HG1  VAL  51          HG11      VAL  51  -1.604  -6.539  -4.072
  398   2HG1  VAL  51          HG12      VAL  51  -2.871  -6.147  -2.900
  399   3HG1  VAL  51          HG13      VAL  51  -3.287  -6.921  -4.447
  400   1HG2  VAL  51          HG21      VAL  51  -4.933  -5.171  -4.847
  401   2HG2  VAL  51          HG22      VAL  51  -4.498  -4.298  -3.364
  402   3HG2  VAL  51          HG23      VAL  51  -4.485  -3.468  -4.937
  403    H    LYS  52           H        LYS  52   0.297  -4.551  -2.735
  404    HA   LYS  52           HA       LYS  52   2.229  -3.590  -4.719
  405   1HB   LYS  52          HB2       LYS  52   2.559  -4.960  -2.008
  406   2HB   LYS  52          HB3       LYS  52   3.860  -4.256  -2.955
  407   1HG   LYS  52          HG2       LYS  52   1.518  -2.675  -1.794
  408   2HG   LYS  52          HG3       LYS  52   3.132  -2.798  -1.098
  409   1HD   LYS  52          HD2       LYS  52   4.086  -1.797  -3.197
  410   2HD   LYS  52          HD3       LYS  52   2.426  -1.542  -3.782
  411   1HE   LYS  52          HE2       LYS  52   1.929  -0.156  -1.799
  412   2HE   LYS  52          HE3       LYS  52   3.572  -0.413  -1.188
  413   1HZ   LYS  52          HZ1       LYS  52   2.866   0.958  -3.723
  414   2HZ   LYS  52          HZ2       LYS  52   3.374   1.698  -2.350
  415   3HZ   LYS  52          HZ3       LYS  52   4.399   0.732  -3.171
  416    H    LYS  53           H        LYS  53   0.500  -6.416  -4.538
  417    HA   LYS  53           HA       LYS  53   2.506  -7.982  -6.031
  418   1HB   LYS  53          HB2       LYS  53   1.019  -8.956  -3.542
  419   2HB   LYS  53          HB3       LYS  53   1.867 -10.029  -4.662
  420   1HG   LYS  53          HG2       LYS  53   3.279  -7.821  -3.124
  421   2HG   LYS  53          HG3       LYS  53   3.096  -9.478  -2.556
  422   1HD   LYS  53          HD2       LYS  53   4.257 -10.344  -4.541
  423   2HD   LYS  53          HD3       LYS  53   4.486  -8.690  -5.168
  424   1HE   LYS  53          HE2       LYS  53   5.882  -8.093  -3.306
  425   2HE   LYS  53          HE3       LYS  53   5.399  -9.532  -2.409
  426   1HZ   LYS  53          HZ1       LYS  53   7.186  -9.473  -4.748
  427   2HZ   LYS  53          HZ2       LYS  53   7.480  -9.964  -3.185
  428   3HZ   LYS  53          HZ3       LYS  53   6.531 -10.868  -4.149
  429    H    LYS  54           H        LYS  54   1.158 -10.173  -6.618
  430    HA   LYS  54           HA       LYS  54  -1.583  -9.511  -7.434
  431   1HB   LYS  54          HB2       LYS  54  -1.066 -10.110  -9.800
  432   2HB   LYS  54          HB3       LYS  54  -0.279  -8.619  -9.283
  433   1HG   LYS  54          HG2       LYS  54   1.857  -9.843  -8.960
  434   2HG   LYS  54          HG3       LYS  54   1.082 -11.350  -9.483
  435   1HD   LYS  54          HD2       LYS  54   0.622 -10.350 -11.690
  436   2HD   LYS  54          HD3       LYS  54   1.368  -8.830 -11.186
  437   1HE   LYS  54          HE2       LYS  54   2.795 -11.532 -11.308
  438   2HE   LYS  54          HE3       LYS  54   2.844 -10.310 -12.581
  439   1HZ   LYS  54          HZ1       LYS  54   4.778 -10.116 -11.230
  440   2HZ   LYS  54          HZ2       LYS  54   3.876  -8.789 -10.961
  441   3HZ   LYS  54          HZ3       LYS  54   3.946  -9.992  -9.836
  442    H    GLU  55           H        GLU  55  -2.681 -11.451  -8.225
  443    HA   GLU  55           HA       GLU  55  -2.274 -13.841  -6.848
  444   1HB   GLU  55          HB2       GLU  55  -4.326 -13.145  -8.017
  445   2HB   GLU  55          HB3       GLU  55  -3.530 -13.319  -9.586
  446   1HG   GLU  55          HG2       GLU  55  -3.273 -15.750  -9.201
  447   2HG   GLU  55          HG3       GLU  55  -3.972 -15.569  -7.599
  448    H    GLY  56           H        GLY  56  -0.647 -15.212  -6.869
  449   1HA   GLY  56          HA2       GLY  56   0.634 -16.900  -7.806
  450   2HA   GLY  56          HA3       GLY  56   0.542 -16.140  -9.398
  451    H    ASP  57           H        ASP  57   1.410 -13.660  -7.209
  452    HA   ASP  57           HA       ASP  57   4.135 -13.638  -8.181
  453   1HB   ASP  57          HB2       ASP  57   2.539 -11.668  -7.375
  454   2HB   ASP  57          HB3       ASP  57   3.244 -12.011  -5.810
  455    H    PHE  58           H        PHE  58   6.022 -13.507  -6.583
  456    HA   PHE  58           HA       PHE  58   5.921 -15.818  -4.703
  457   1HB   PHE  58          HB2       PHE  58   7.762 -15.746  -6.363
  458   2HB   PHE  58          HB3       PHE  58   8.237 -14.156  -5.780
  459    HD1  PHE  58           HD1      PHE  58   9.613 -13.902  -3.808
  460    HD2  PHE  58           HD2      PHE  58   7.935 -17.754  -4.789
  461    HE1  PHE  58           HE1      PHE  58  11.023 -14.965  -2.064
  462    HE2  PHE  58           HE2      PHE  58   9.346 -18.811  -3.044
  463    HZ   PHE  58           HZ       PHE  58  10.900 -17.421  -1.685
  464    H    VAL  59           H        VAL  59   6.312 -15.430  -2.452
  465    HA   VAL  59           HA       VAL  59   6.632 -12.634  -1.565
  466    HB   VAL  59           HB       VAL  59   4.630 -13.017  -0.058
  467   1HG1  VAL  59          HG11      VAL  59   4.621 -11.388  -1.881
  468   2HG1  VAL  59          HG12      VAL  59   3.998 -12.627  -3.003
  469   3HG1  VAL  59          HG13      VAL  59   3.023 -12.094  -1.625
  470   1HG2  VAL  59          HG21      VAL  59   3.817 -15.047  -2.185
  471   2HG2  VAL  59          HG22      VAL  59   4.201 -15.407  -0.483
  472   3HG2  VAL  59          HG23      VAL  59   2.792 -14.410  -0.902
  473    H    ASN  60           H        ASN  60   6.938 -12.480   0.806
  474    HA   ASN  60           HA       ASN  60   7.745 -14.925   2.135
  475   1HB   ASN  60          HB2       ASN  60   9.698 -13.408   0.636
  476   2HB   ASN  60          HB3       ASN  60  10.017 -13.143   2.342
  477   1HD2  ASN  60          HD22      ASN  60   9.065 -15.884   0.149
  478   2HD2  ASN  60          HD21      ASN  60  10.190 -17.028   0.851
  479    H    GLU  61           H        GLU  61   8.683 -14.426   4.350
  480    HA   GLU  61           HA       GLU  61   6.817 -12.869   5.805
  481   1HB   GLU  61          HB2       GLU  61   8.202 -14.754   6.688
  482   2HB   GLU  61          HB3       GLU  61   9.641 -13.733   6.579
  483   1HG   GLU  61          HG2       GLU  61   8.511 -12.108   8.163
  484   2HG   GLU  61          HG3       GLU  61   7.182 -13.256   8.311
  485    H    GLY  62           H        GLY  62   6.588 -10.712   5.919
  486   1HA   GLY  62          HA2       GLY  62   7.197  -8.548   6.397
  487   2HA   GLY  62          HA3       GLY  62   8.904  -8.927   6.130
  488    H    ASP  63           H        ASP  63   7.219 -10.171   3.445
  489    HA   ASP  63           HA       ASP  63   8.113  -7.951   1.753
  490   1HB   ASP  63          HB2       ASP  63   8.342 -10.422   1.190
  491   2HB   ASP  63          HB3       ASP  63   6.588 -10.469   0.980
  492    H    VAL  64           H        VAL  64   6.695  -6.459   0.824
  493    HA   VAL  64           HA       VAL  64   4.320  -5.910   2.306
  494    HB   VAL  64           HB       VAL  64   4.069  -4.050   0.630
  495   1HG1  VAL  64          HG11      VAL  64   5.269  -3.774   2.754
  496   2HG1  VAL  64          HG12      VAL  64   6.785  -4.297   1.989
  497   3HG1  VAL  64          HG13      VAL  64   5.994  -2.792   1.471
  498   1HG2  VAL  64          HG21      VAL  64   6.787  -4.939  -0.444
  499   2HG2  VAL  64          HG22      VAL  64   5.256  -5.203  -1.297
  500   3HG2  VAL  64          HG23      VAL  64   5.810  -3.554  -0.958
  501    H    LEU  65           H        LEU  65   2.139  -5.612   1.530
  502    HA   LEU  65           HA       LEU  65   1.374  -7.263  -0.842
  503   1HB   LEU  65          HB2       LEU  65   1.007  -8.651   1.118
  504   2HB   LEU  65          HB3       LEU  65   0.203  -7.333   1.966
  505    HG   LEU  65           HG       LEU  65  -1.657  -7.386   0.312
  506   1HD1  LEU  65          HD11      LEU  65  -0.231  -9.836  -0.800
  507   2HD1  LEU  65          HD12      LEU  65  -1.897  -9.348  -1.189
  508   3HD1  LEU  65          HD13      LEU  65  -0.549  -8.315  -1.661
  509   1HD2  LEU  65          HD21      LEU  65  -2.739  -9.362   1.126
  510   2HD2  LEU  65          HD22      LEU  65  -1.187 -10.069   1.602
  511   3HD2  LEU  65          HD23      LEU  65  -1.804  -8.621   2.433
  512    H    LEU  66           H        LEU  66   0.375  -4.636   1.486
  513    HA   LEU  66           HA       LEU  66  -1.434  -3.545  -0.620
  514   1HB   LEU  66          HB2       LEU  66  -2.081  -4.708   2.080
  515   2HB   LEU  66          HB3       LEU  66  -2.942  -3.265   1.634
  516    HG   LEU  66           HG       LEU  66  -2.945  -5.696  -0.186
  517   1HD1  LEU  66          HD11      LEU  66  -4.876  -5.024   2.084
  518   2HD1  LEU  66          HD12      LEU  66  -5.086  -6.318   0.886
  519   3HD1  LEU  66          HD13      LEU  66  -3.755  -6.403   2.043
  520   1HD2  LEU  66          HD21      LEU  66  -5.095  -4.621  -0.912
  521   2HD2  LEU  66          HD22      LEU  66  -4.744  -3.275   0.179
  522   3HD2  LEU  66          HD23      LEU  66  -3.674  -3.611  -1.197
  523    H    GLU  67           H        GLU  67  -1.776  -1.382  -0.419
  524    HA   GLU  67           HA       GLU  67  -0.704   0.064   1.941
  525   1HB   GLU  67          HB2       GLU  67   0.731   0.360  -0.175
  526   2HB   GLU  67          HB3       GLU  67  -0.690   1.044  -0.947
  527   1HG   GLU  67          HG2       GLU  67   0.661   2.858  -0.215
  528   2HG   GLU  67          HG3       GLU  67  -0.762   2.824   0.820
  529    H    LEU  68           H        LEU  68  -2.221   1.463   2.773
  530    HA   LEU  68           HA       LEU  68  -4.921   1.320   1.489
  531   1HB   LEU  68          HB2       LEU  68  -4.268   1.391   4.449
  532   2HB   LEU  68          HB3       LEU  68  -5.844   1.208   3.702
  533    HG   LEU  68           HG       LEU  68  -3.603  -0.841   3.669
  534   1HD1  LEU  68          HD11      LEU  68  -6.351  -0.931   4.984
  535   2HD1  LEU  68          HD12      LEU  68  -5.080  -2.172   5.074
  536   3HD1  LEU  68          HD13      LEU  68  -4.831  -0.593   5.829
  537   1HD2  LEU  68          HD21      LEU  68  -4.818  -1.032   1.560
  538   2HD2  LEU  68          HD22      LEU  68  -5.218  -2.376   2.611
  539   3HD2  LEU  68          HD23      LEU  68  -6.375  -1.033   2.424
  540    H    SER  69           H        SER  69  -6.176   3.143   1.506
  541    HA   SER  69           HA       SER  69  -4.900   5.670   1.536
  542   1HB   SER  69          HB2       SER  69  -7.865   4.991   1.582
  543   2HB   SER  69          HB3       SER  69  -7.118   6.474   0.951
  544    HG   SER  69           HG       SER  69  -7.573   5.036  -0.737
  545    H    ASN  70           H        ASN  70  -6.117   3.863   4.184
  546    HA   ASN  70           HA       ASN  70  -6.211   6.275   5.919
  547   1HB   ASN  70          HB2       ASN  70  -8.531   5.437   5.297
  548   2HB   ASN  70          HB3       ASN  70  -8.132   3.923   6.114
  549   1HD2  ASN  70          HD22      ASN  70  -9.972   4.388   7.573
  550   2HD2  ASN  70          HD21      ASN  70  -9.806   5.573   8.842
  551    H    SER  71           H        SER  71  -3.966   4.574   5.404
  552    HA   SER  71           HA       SER  71  -3.602   2.495   7.296
  553   1HB   SER  71          HB2       SER  71  -1.166   2.976   6.741
  554   2HB   SER  71          HB3       SER  71  -2.231   2.674   5.355
  555    HG   SER  71           HG       SER  71  -0.927   4.482   4.973
  556    H    THR  72           H        THR  72  -3.747   5.931   7.756
  557    HA   THR  72           HA       THR  72  -1.997   6.280   9.947
  558    HB   THR  72           HB       THR  72  -3.584   8.392  10.133
  559    HG1  THR  72           HG1      THR  72  -5.321   7.733   8.922
  560   1HG2  THR  72          HG21      THR  72  -2.472   9.412   8.184
  561   2HG2  THR  72          HG22      THR  72  -1.335   8.424   9.113
  562   3HG2  THR  72          HG23      THR  72  -2.000   7.804   7.586
  563    H    GLN  73           H        GLN  73  -4.976   4.576   9.893
  564    HA   GLN  73           HA       GLN  73  -6.093   5.139  12.443
  565   1HB   GLN  73          HB2       GLN  73  -5.893   2.575  10.815
  566   2HB   GLN  73          HB3       GLN  73  -6.800   2.682  12.322
  567   1HG   GLN  73          HG2       GLN  73  -8.364   4.257  11.420
  568   2HG   GLN  73          HG3       GLN  73  -7.378   4.526   9.979
  569   1HE2  GLN  73          HE22      GLN  73  -7.089   2.753   8.453
  570   2HE2  GLN  73          HE21      GLN  73  -8.248   1.425   8.357
  571    HN3  BTI 135           HN3      BTL  35  -4.524 -25.652  -1.777
  572    HN2  BTI 135           HN2      BTL  35  -2.870 -25.228  -5.417
  573    H4   BTI 135           H4       BTL  35  -1.466 -24.016  -3.668
  574    H2   BTI 135           H2       BTL  35   0.188 -25.662  -3.269
  575    H62  BTI 135           H62      BTL  35  -0.947 -26.071  -0.887
  576    H63  BTI 135           H63      BTL  35  -2.485 -26.964  -0.836
  577    H5   BTI 135           H5       BTL  35  -2.370 -24.333  -1.548
  578    H72  BTI 135           H72      BTL  35  -1.144 -26.946  -5.661
  579    H73  BTI 135           H73      BTL  35  -0.321 -25.373  -5.741
  580    H82  BTI 135           H82      BTL  35   1.779 -26.355  -5.011
  581    H83  BTI 135           H83      BTL  35   0.996 -27.923  -4.736
  582    H92  BTI 135           H92      BTL  35   0.512 -28.154  -7.126
  583    H93  BTI 135           H93      BTL  35   1.144 -26.535  -7.450
  584   H102  BTI 135          H102      BTL  35   2.768 -28.281  -8.083
  585   H103  BTI 135          H103      BTL  35   3.396 -27.213  -6.831
  Start of MODEL    8
    1   1H    THR   2           H1       THR   2   1.137  -1.674   3.117
    2   2H    THR   2           H2       THR   2   2.231  -0.540   3.585
    3   3H    THR   2           H3       THR   2   2.569  -2.138   3.776
    4    HA   THR   2           HA       THR   2   1.979  -1.097   5.857
    5    HB   THR   2           HB       THR   2  -0.395  -0.490   6.225
    6    HG1  THR   2           HG1      THR   2  -1.783  -0.455   4.662
    7   1HG2  THR   2          HG21      THR   2  -0.291   1.721   5.150
    8   2HG2  THR   2          HG22      THR   2   1.281   1.289   5.833
    9   3HG2  THR   2          HG23      THR   2   0.995   1.183   4.078
   10    H    VAL   3           H        VAL   3  -0.709  -3.012   4.228
   11    HA   VAL   3           HA       VAL   3  -0.315  -5.121   6.235
   12    HB   VAL   3           HB       VAL   3  -1.798  -5.489   3.619
   13   1HG1  VAL   3          HG11      VAL   3  -1.430  -7.497   5.011
   14   2HG1  VAL   3          HG12      VAL   3  -2.191  -6.676   6.395
   15   3HG1  VAL   3          HG13      VAL   3  -3.140  -7.071   4.946
   16   1HG2  VAL   3          HG21      VAL   3  -2.840  -3.474   4.557
   17   2HG2  VAL   3          HG22      VAL   3  -3.911  -4.863   4.794
   18   3HG2  VAL   3          HG23      VAL   3  -2.950  -4.244   6.156
   19    H    SER   4           H        SER   4   0.900  -7.029   5.870
   20    HA   SER   4           HA       SER   4   2.482  -7.289   3.382
   21   1HB   SER   4          HB2       SER   4   3.633  -7.155   6.196
   22   2HB   SER   4          HB3       SER   4   4.551  -7.497   4.731
   23    HG   SER   4           HG       SER   4   4.673  -5.279   5.425
   24    H    ILE   5           H        ILE   5   3.699  -9.334   3.434
   25    HA   ILE   5           HA       ILE   5   2.019 -11.541   4.368
   26    HB   ILE   5           HB       ILE   5   4.509 -11.327   2.606
   27   1HG1  ILE   5          HG12      ILE   5   2.709 -10.309   1.435
   28   2HG1  ILE   5          HG13      ILE   5   2.900 -11.903   0.758
   29   1HG2  ILE   5          HG21      ILE   5   3.918 -13.680   1.895
   30   2HG2  ILE   5          HG22      ILE   5   4.522 -13.525   3.529
   31   3HG2  ILE   5          HG23      ILE   5   2.772 -13.725   3.242
   32   1HD1  ILE   5          HD11      ILE   5   0.963 -12.702   2.186
   33   2HD1  ILE   5          HD12      ILE   5   0.715 -10.999   2.656
   34   3HD1  ILE   5          HD13      ILE   5   0.558 -11.495   0.963
   35    H    GLN   6           H        GLN   6   2.883 -13.300   5.572
   36    HA   GLN   6           HA       GLN   6   4.946 -12.487   7.565
   37   1HB   GLN   6          HB2       GLN   6   3.485 -13.332   9.283
   38   2HB   GLN   6          HB3       GLN   6   2.593 -12.188   8.284
   39   1HG   GLN   6          HG2       GLN   6   1.667 -14.236   7.002
   40   2HG   GLN   6          HG3       GLN   6   2.368 -15.232   8.275
   41   1HE2  GLN   6          HE22      GLN   6  -0.234 -13.080   7.395
   42   2HE2  GLN   6          HE21      GLN   6  -1.126 -13.186   8.893
   43    H    MET   7           H        MET   7   4.572 -14.674   5.121
   44    HA   MET   7           HA       MET   7   6.328 -16.651   6.360
   45   1HB   MET   7          HB2       MET   7   4.177 -17.492   7.080
   46   2HB   MET   7          HB3       MET   7   3.470 -17.251   5.485
   47   1HG   MET   7          HG2       MET   7   3.935 -19.607   6.029
   48   2HG   MET   7          HG3       MET   7   4.694 -19.048   4.554
   49   1HE   MET   7          HE1       MET   7   6.151 -21.027   4.254
   50   2HE   MET   7          HE2       MET   7   7.108 -21.810   5.536
   51   3HE   MET   7          HE3       MET   7   5.329 -21.766   5.640
   52    H    ALA   8           H        ALA   8   7.331 -17.961   4.739
   53    HA   ALA   8           HA       ALA   8   7.739 -16.774   2.144
   54   1HB   ALA   8          HB1       ALA   8   9.170 -18.752   1.809
   55   2HB   ALA   8          HB2       ALA   8   9.523 -17.923   3.343
   56   3HB   ALA   8          HB3       ALA   8   8.578 -19.439   3.335
   57    H    GLY   9           H        GLY   9   6.767 -17.262   0.208
   58   1HA   GLY   9          HA2       GLY   9   5.497 -19.724  -0.391
   59   2HA   GLY   9          HA3       GLY   9   4.292 -18.662   0.339
   60    H    ASN  10           H        ASN  10   3.190 -18.894  -1.599
   61    HA   ASN  10           HA       ASN  10   3.979 -17.023  -3.775
   62   1HB   ASN  10          HB2       ASN  10   2.840 -19.840  -4.101
   63   2HB   ASN  10          HB3       ASN  10   3.006 -18.651  -5.393
   64   1HD2  ASN  10          HD21      ASN  10   4.727 -20.975  -3.358
   65   2HD2  ASN  10          HD22      ASN  10   6.304 -20.738  -4.088
   66    H    LEU  11           H        LEU  11   2.229 -15.755  -4.329
   67    HA   LEU  11           HA       LEU  11   0.103 -15.749  -2.369
   68   1HB   LEU  11          HB2       LEU  11   1.547 -13.795  -3.231
   69   2HB   LEU  11          HB3       LEU  11   0.562 -13.839  -4.670
   70    HG   LEU  11           HG       LEU  11  -1.480 -13.447  -3.215
   71   1HD1  LEU  11          HD11      LEU  11  -0.776 -14.253  -1.036
   72   2HD1  LEU  11          HD12      LEU  11   0.663 -13.208  -1.044
   73   3HD1  LEU  11          HD13      LEU  11  -0.947 -12.505  -0.886
   74   1HD2  LEU  11          HD21      LEU  11   0.763 -11.402  -2.899
   75   2HD2  LEU  11          HD22      LEU  11  -0.216 -11.617  -4.368
   76   3HD2  LEU  11          HD23      LEU  11  -0.985 -11.074  -2.880
   77    H    TRP  12           H        TRP  12  -0.613 -17.824  -3.207
   78    HA   TRP  12           HA       TRP  12  -1.607 -18.785  -5.449
   79   1HB   TRP  12          HB2       TRP  12  -1.589 -19.961  -3.397
   80   2HB   TRP  12          HB3       TRP  12  -2.720 -18.858  -2.644
   81    HD1  TRP  12           HD1      TRP  12  -4.239 -20.004  -5.855
   82    HE1  TRP  12           HE1      TRP  12  -5.961 -21.808  -5.408
   83    HE3  TRP  12           HE3      TRP  12  -2.959 -21.122  -1.043
   84    HZ2  TRP  12           HZ2      TRP  12  -6.874 -23.377  -3.136
   85    HZ3  TRP  12           HZ3      TRP  12  -4.288 -22.738   0.244
   86    HH2  TRP  12           HH2      TRP  12  -6.262 -23.867  -0.768
   87    H    LYS  13           H        LYS  13  -3.619 -16.507  -3.458
   88    HA   LYS  13           HA       LYS  13  -4.988 -15.704  -5.915
   89   1HB   LYS  13          HB2       LYS  13  -6.494 -16.944  -3.595
   90   2HB   LYS  13          HB3       LYS  13  -7.235 -15.794  -4.720
   91   1HG   LYS  13          HG2       LYS  13  -6.603 -17.236  -6.645
   92   2HG   LYS  13          HG3       LYS  13  -6.001 -18.451  -5.517
   93   1HD   LYS  13          HD2       LYS  13  -8.880 -17.479  -5.655
   94   2HD   LYS  13          HD3       LYS  13  -8.248 -18.965  -6.385
   95   1HE   LYS  13          HE2       LYS  13  -7.473 -19.709  -4.119
   96   2HE   LYS  13          HE3       LYS  13  -8.252 -18.284  -3.419
   97   1HZ   LYS  13          HZ1       LYS  13  -9.663 -20.440  -4.893
   98   2HZ   LYS  13          HZ2       LYS  13  -9.690 -20.231  -3.280
   99   3HZ   LYS  13          HZ3       LYS  13 -10.385 -19.123  -4.251
  100    H    VAL  14           H        VAL  14  -6.183 -13.734  -5.636
  101    HA   VAL  14           HA       VAL  14  -5.522 -12.102  -3.276
  102    HB   VAL  14           HB       VAL  14  -4.880 -11.397  -6.177
  103   1HG1  VAL  14          HG11      VAL  14  -5.876  -9.409  -5.139
  104   2HG1  VAL  14          HG12      VAL  14  -4.808  -9.590  -3.717
  105   3HG1  VAL  14          HG13      VAL  14  -4.140  -9.196  -5.316
  106   1HG2  VAL  14          HG21      VAL  14  -3.174 -11.587  -3.657
  107   2HG2  VAL  14          HG22      VAL  14  -3.084 -12.660  -5.065
  108   3HG2  VAL  14          HG23      VAL  14  -2.598 -10.969  -5.217
  109    H    HIS  15           H        HIS  15  -7.116 -10.618  -2.890
  110    HA   HIS  15           HA       HIS  15  -9.661 -10.862  -4.434
  111   1HB   HIS  15          HB2       HIS  15  -9.382 -11.109  -1.413
  112   2HB   HIS  15          HB3       HIS  15 -10.850 -11.314  -2.364
  113    HD1  HIS  15           HD1      HIS  15 -10.622 -13.556  -4.204
  114    HD2  HIS  15           HD2      HIS  15  -8.061 -13.283  -0.877
  115    HE1  HIS  15           HE1      HIS  15  -9.606 -15.873  -3.876
  116    H    VAL  16           H        VAL  16  -7.508  -8.697  -3.960
  117    HA   VAL  16           HA       VAL  16  -9.365  -6.488  -3.272
  118    HB   VAL  16           HB       VAL  16  -7.246  -5.336  -2.372
  119   1HG1  VAL  16          HG11      VAL  16  -9.160  -6.000  -0.996
  120   2HG1  VAL  16          HG12      VAL  16  -8.453  -7.610  -0.777
  121   3HG1  VAL  16          HG13      VAL  16  -7.632  -6.161  -0.121
  122   1HG2  VAL  16          HG21      VAL  16  -6.263  -8.204  -2.044
  123   2HG2  VAL  16          HG22      VAL  16  -5.533  -6.959  -3.075
  124   3HG2  VAL  16          HG23      VAL  16  -5.553  -6.779  -1.312
  125    H    LYS  17           H        LYS  17  -8.696  -4.431  -4.202
  126    HA   LYS  17           HA       LYS  17  -6.629  -4.382  -6.188
  127   1HB   LYS  17          HB2       LYS  17  -8.156  -3.426  -7.975
  128   2HB   LYS  17          HB3       LYS  17  -8.175  -5.164  -7.733
  129   1HG   LYS  17          HG2       LYS  17 -10.381  -4.658  -8.104
  130   2HG   LYS  17          HG3       LYS  17 -10.324  -4.843  -6.358
  131   1HD   LYS  17          HD2       LYS  17 -10.241  -2.338  -6.139
  132   2HD   LYS  17          HD3       LYS  17 -10.311  -2.188  -7.894
  133   1HE   LYS  17          HE2       LYS  17 -12.437  -3.498  -6.138
  134   2HE   LYS  17          HE3       LYS  17 -12.483  -1.824  -6.695
  135   1HZ   LYS  17          HZ1       LYS  17 -13.810  -3.230  -8.114
  136   2HZ   LYS  17          HZ2       LYS  17 -12.565  -2.641  -8.979
  137   3HZ   LYS  17          HZ3       LYS  17 -12.551  -4.198  -8.469
  138    H    ALA  18           H        ALA  18  -6.368  -2.084  -6.939
  139    HA   ALA  18           HA       ALA  18  -6.460  -0.171  -4.859
  140   1HB   ALA  18          HB1       ALA  18  -6.345   0.240  -7.880
  141   2HB   ALA  18          HB2       ALA  18  -5.976   1.465  -6.650
  142   3HB   ALA  18          HB3       ALA  18  -4.953   0.024  -6.792
  143    H    GLY  19           H        GLY  19  -8.113   0.851  -3.999
  144   1HA   GLY  19          HA2       GLY  19  -9.934   2.324  -4.062
  145   2HA   GLY  19          HA3       GLY  19 -10.496   1.620  -5.581
  146    H    ASP  20           H        ASP  20  -9.759  -1.092  -3.747
  147    HA   ASP  20           HA       ASP  20 -12.587  -1.555  -3.283
  148   1HB   ASP  20          HB2       ASP  20 -11.008  -3.310  -4.101
  149   2HB   ASP  20          HB3       ASP  20 -10.182  -3.269  -2.541
  150    H    GLN  21           H        GLN  21 -13.706  -1.583  -1.388
  151    HA   GLN  21           HA       GLN  21 -12.530  -0.418   1.031
  152   1HB   GLN  21          HB2       GLN  21 -14.888  -0.015  -0.019
  153   2HB   GLN  21          HB3       GLN  21 -15.325  -1.587   0.630
  154   1HG   GLN  21          HG2       GLN  21 -14.433   0.873   2.193
  155   2HG   GLN  21          HG3       GLN  21 -16.077   0.273   2.049
  156   1HE2  GLN  21          HE22      GLN  21 -13.319   0.244   4.000
  157   2HE2  GLN  21          HE21      GLN  21 -13.629  -1.195   4.908
  158    H    ILE  22           H        ILE  22 -11.897  -1.665   2.841
  159    HA   ILE  22           HA       ILE  22 -12.582  -4.546   2.901
  160    HB   ILE  22           HB       ILE  22 -10.307  -5.181   3.422
  161   1HG1  ILE  22          HG12      ILE  22  -9.454  -2.311   2.814
  162   2HG1  ILE  22          HG13      ILE  22  -9.522  -3.045   4.422
  163   1HG2  ILE  22          HG21      ILE  22  -9.359  -5.108   1.221
  164   2HG2  ILE  22          HG22      ILE  22 -11.112  -5.214   1.057
  165   3HG2  ILE  22          HG23      ILE  22 -10.294  -3.663   0.786
  166   1HD1  ILE  22          HD11      ILE  22  -7.263  -3.150   3.741
  167   2HD1  ILE  22          HD12      ILE  22  -7.885  -4.799   3.619
  168   3HD1  ILE  22          HD13      ILE  22  -7.679  -3.829   2.149
  169    H    GLU  23           H        GLU  23 -11.983  -5.553   5.019
  170    HA   GLU  23           HA       GLU  23 -12.443  -3.668   7.248
  171   1HB   GLU  23          HB2       GLU  23 -14.619  -4.233   6.334
  172   2HB   GLU  23          HB3       GLU  23 -14.239  -5.954   6.356
  173   1HG   GLU  23          HG2       GLU  23 -14.086  -5.895   8.821
  174   2HG   GLU  23          HG3       GLU  23 -14.345  -4.146   8.804
  175    H    LYS  24           H        LYS  24 -11.575  -4.487   9.184
  176    HA   LYS  24           HA       LYS  24  -9.389  -6.207   9.085
  177   1HB   LYS  24          HB2       LYS  24  -9.904  -4.635  10.943
  178   2HB   LYS  24          HB3       LYS  24 -11.238  -5.669  11.452
  179   1HG   LYS  24          HG2       LYS  24  -9.617  -7.533  11.865
  180   2HG   LYS  24          HG3       LYS  24  -8.283  -6.471  11.415
  181   1HD   LYS  24          HD2       LYS  24 -10.252  -5.896  13.672
  182   2HD   LYS  24          HD3       LYS  24  -8.767  -6.794  13.925
  183   1HE   LYS  24          HE2       LYS  24  -8.756  -3.986  12.742
  184   2HE   LYS  24          HE3       LYS  24  -8.803  -4.273  14.483
  185   1HZ   LYS  24          HZ1       LYS  24  -6.727  -5.522  14.273
  186   2HZ   LYS  24          HZ2       LYS  24  -6.635  -5.170  12.670
  187   3HZ   LYS  24          HZ3       LYS  24  -6.553  -3.981  13.783
  188    H    GLY  25           H        GLY  25  -9.126  -8.364   8.899
  189   1HA   GLY  25          HA2       GLY  25  -9.544 -10.615   9.296
  190   2HA   GLY  25          HA3       GLY  25 -11.127 -10.229   9.962
  191    H    GLN  26           H        GLN  26 -11.051  -8.612   6.974
  192    HA   GLN  26           HA       GLN  26 -12.593 -10.674   5.589
  193   1HB   GLN  26          HB2       GLN  26 -12.942  -8.145   5.334
  194   2HB   GLN  26          HB3       GLN  26 -11.359  -8.085   4.545
  195   1HG   GLN  26          HG2       GLN  26 -12.482  -9.984   2.984
  196   2HG   GLN  26          HG3       GLN  26 -13.964  -9.250   3.566
  197   1HE2  GLN  26          HE22      GLN  26 -11.244  -8.965   1.419
  198   2HE2  GLN  26          HE21      GLN  26 -11.680  -7.408   0.723
  199    H    GLU  27           H        GLU  27 -11.687 -12.031   4.006
  200    HA   GLU  27           HA       GLU  27  -8.859 -12.486   3.821
  201   1HB   GLU  27          HB2       GLU  27 -10.824 -14.078   3.239
  202   2HB   GLU  27          HB3       GLU  27 -10.977 -13.162   1.745
  203   1HG   GLU  27          HG2       GLU  27  -9.644 -14.958   1.108
  204   2HG   GLU  27          HG3       GLU  27  -8.436 -13.706   1.394
  205    H    VAL  28           H        VAL  28  -7.336 -11.403   2.569
  206    HA   VAL  28           HA       VAL  28  -8.331  -9.782   0.282
  207    HB   VAL  28           HB       VAL  28  -6.474  -8.205   0.727
  208   1HG1  VAL  28          HG11      VAL  28  -7.623  -6.971   2.470
  209   2HG1  VAL  28          HG12      VAL  28  -8.850  -7.790   1.490
  210   3HG1  VAL  28          HG13      VAL  28  -8.420  -8.447   3.067
  211   1HG2  VAL  28          HG21      VAL  28  -5.434  -8.074   2.930
  212   2HG2  VAL  28          HG22      VAL  28  -6.287  -9.533   3.454
  213   3HG2  VAL  28          HG23      VAL  28  -5.037  -9.636   2.192
  214    H    ALA  29           H        ALA  29  -5.978 -12.194   1.461
  215    HA   ALA  29           HA       ALA  29  -5.646 -12.964  -1.303
  216   1HB   ALA  29          HB1       ALA  29  -3.179 -12.132   0.302
  217   2HB   ALA  29          HB2       ALA  29  -3.193 -12.899  -1.300
  218   3HB   ALA  29          HB3       ALA  29  -3.832 -11.265  -1.104
  219    H    ILE  30           H        ILE  30  -4.071 -14.964  -1.283
  220    HA   ILE  30           HA       ILE  30  -4.136 -16.423   1.306
  221    HB   ILE  30           HB       ILE  30  -4.902 -17.745  -1.331
  222   1HG1  ILE  30          HG12      ILE  30  -6.762 -16.980   0.964
  223   2HG1  ILE  30          HG13      ILE  30  -6.740 -16.257  -0.648
  224   1HG2  ILE  30          HG21      ILE  30  -4.887 -18.743   1.559
  225   2HG2  ILE  30          HG22      ILE  30  -5.459 -19.686   0.156
  226   3HG2  ILE  30          HG23      ILE  30  -3.781 -19.241   0.262
  227   1HD1  ILE  30          HD11      ILE  30  -8.536 -17.773  -0.698
  228   2HD1  ILE  30          HD12      ILE  30  -7.223 -18.571  -1.595
  229   3HD1  ILE  30          HD13      ILE  30  -7.605 -19.066   0.070
  230    H    LEU  31           H        LEU  31  -2.343 -17.703   1.600
  231    HA   LEU  31           HA       LEU  31  -0.173 -17.622  -0.445
  232   1HB   LEU  31          HB2       LEU  31  -0.261 -18.351   2.496
  233   2HB   LEU  31          HB3       LEU  31   1.148 -18.659   1.510
  234    HG   LEU  31           HG       LEU  31  -0.039 -15.925   2.088
  235   1HD1  LEU  31          HD11      LEU  31   1.977 -15.666   3.498
  236   2HD1  LEU  31          HD12      LEU  31   1.084 -17.088   4.011
  237   3HD1  LEU  31          HD13      LEU  31   2.547 -17.275   3.022
  238   1HD2  LEU  31          HD21      LEU  31   2.437 -16.701   0.500
  239   2HD2  LEU  31          HD22      LEU  31   1.006 -15.835  -0.109
  240   3HD2  LEU  31          HD23      LEU  31   2.061 -15.056   1.067
  241    H    GLU  32           H        GLU  32   0.190 -19.338  -1.507
  242    HA   GLU  32           HA       GLU  32  -0.211 -22.037  -0.389
  243   1HB   GLU  32          HB2       GLU  32  -0.485 -22.038  -2.791
  244   2HB   GLU  32          HB3       GLU  32   0.871 -20.947  -3.034
  245   1HG   GLU  32          HG2       GLU  32   1.537 -23.556  -1.701
  246   2HG   GLU  32          HG3       GLU  32   0.950 -23.660  -3.348
  247    H    SER  33           H        SER  33   1.575 -22.831   0.646
  248    HA   SER  33           HA       SER  33   4.109 -21.270   0.641
  249   1HB   SER  33          HB2       SER  33   2.272 -21.914   2.938
  250   2HB   SER  33          HB3       SER  33   4.028 -21.910   3.203
  251    HG   SER  33           HG       SER  33   4.113 -19.799   2.550
  252    H    MET  34           H        MET  34   4.589 -22.937  -0.892
  253    HA   MET  34           HA       MET  34   5.502 -24.886  -1.537
  254   1HB   MET  34          HB2       MET  34   6.647 -24.889   1.289
  255   2HB   MET  34          HB3       MET  34   7.237 -25.832  -0.081
  256   1HG   MET  34          HG2       MET  34   8.687 -24.023  -0.010
  257   2HG   MET  34          HG3       MET  34   7.582 -23.638  -1.322
  258   1HE   MET  34          HE1       MET  34   9.464 -21.419  -0.392
  259   2HE   MET  34          HE2       MET  34   8.125 -21.148  -1.532
  260   3HE   MET  34          HE3       MET  34   8.359 -20.047  -0.159
  261    H    LYS  35           H        BTL  35   2.955 -25.172  -1.084
  262    HA   LYS  35           HA       BTL  35   1.424 -26.696  -1.277
  263   1HB   LYS  35          HB2       BTL  35   3.206 -28.839  -0.072
  264   2HB   LYS  35          HB3       BTL  35   1.658 -29.065  -0.877
  265   1HG   LYS  35          HG2       BTL  35   2.596 -28.078  -2.965
  266   2HG   LYS  35          HG3       BTL  35   4.190 -27.998  -2.195
  267   1HD   LYS  35          HD2       BTL  35   4.120 -30.455  -1.820
  268   2HD   LYS  35          HD3       BTL  35   2.550 -30.528  -2.651
  269   1HE   LYS  35          HE2       BTL  35   5.084 -29.459  -3.968
  270   2HE   LYS  35          HE3       BTL  35   4.576 -31.155  -4.047
  271   1HZ   LYS  35          HZ1       BTL  35   2.526 -30.489  -5.120
  272    H    MET  36           H        MET  36   2.216 -25.177   1.397
  273    HA   MET  36           HA       MET  36   0.034 -26.373   3.042
  274   1HB   MET  36          HB2       MET  36   2.093 -24.245   3.753
  275   2HB   MET  36          HB3       MET  36   0.875 -24.927   4.827
  276   1HG   MET  36          HG2       MET  36   1.894 -27.163   4.607
  277   2HG   MET  36          HG3       MET  36   3.146 -26.506   3.552
  278   1HE   MET  36          HE1       MET  36   5.394 -24.400   5.882
  279   2HE   MET  36          HE2       MET  36   5.157 -25.100   4.265
  280   3HE   MET  36          HE3       MET  36   4.094 -23.795   4.835
  281    H    GLU  37           H        GLU  37  -1.371 -24.561   4.045
  282    HA   GLU  37           HA       GLU  37  -2.047 -22.531   1.973
  283   1HB   GLU  37          HB2       GLU  37  -4.417 -23.116   2.396
  284   2HB   GLU  37          HB3       GLU  37  -3.484 -24.407   1.626
  285   1HG   GLU  37          HG2       GLU  37  -3.334 -25.573   3.842
  286   2HG   GLU  37          HG3       GLU  37  -4.347 -24.311   4.547
  287    H    ILE  38           H        ILE  38  -2.326 -20.496   2.803
  288    HA   ILE  38           HA       ILE  38  -2.962 -20.237   5.694
  289    HB   ILE  38           HB       ILE  38  -0.711 -18.624   4.503
  290   1HG1  ILE  38          HG12      ILE  38  -0.365 -21.209   6.074
  291   2HG1  ILE  38          HG13      ILE  38   0.007 -20.994   4.356
  292   1HG2  ILE  38          HG21      ILE  38  -0.214 -18.121   6.823
  293   2HG2  ILE  38          HG22      ILE  38  -1.914 -17.798   6.531
  294   3HG2  ILE  38          HG23      ILE  38  -1.439 -19.283   7.380
  295   1HD1  ILE  38          HD11      ILE  38   1.688 -19.276   4.926
  296   2HD1  ILE  38          HD12      ILE  38   1.449 -19.661   6.653
  297   3HD1  ILE  38          HD13      ILE  38   2.042 -20.903   5.537
  298    HA   PRO  39           HA       PRO  39  -5.682 -17.123   3.668
  299   1HB   PRO  39          HB2       PRO  39  -6.215 -16.587   6.594
  300   2HB   PRO  39          HB3       PRO  39  -7.385 -16.758   5.263
  301   1HG   PRO  39          HG2       PRO  39  -7.043 -18.778   7.022
  302   2HG   PRO  39          HG3       PRO  39  -7.214 -19.120   5.267
  303   1HD   PRO  39          HD2       PRO  39  -4.669 -18.970   6.908
  304   2HD   PRO  39          HD3       PRO  39  -5.163 -20.194   5.693
  305    H    ILE  40           H        ILE  40  -5.334 -14.855   3.399
  306    HA   ILE  40           HA       ILE  40  -3.572 -13.488   5.360
  307    HB   ILE  40           HB       ILE  40  -3.580 -12.918   2.383
  308   1HG1  ILE  40          HG12      ILE  40  -2.580 -15.108   2.620
  309   2HG1  ILE  40          HG13      ILE  40  -1.381 -13.919   2.181
  310   1HG2  ILE  40          HG21      ILE  40  -1.622 -11.544   2.868
  311   2HG2  ILE  40          HG22      ILE  40  -3.007 -11.007   3.818
  312   3HG2  ILE  40          HG23      ILE  40  -1.723 -11.953   4.595
  313   1HD1  ILE  40          HD11      ILE  40  -1.614 -14.448   5.129
  314   2HD1  ILE  40          HD12      ILE  40  -1.043 -15.780   4.127
  315   3HD1  ILE  40          HD13      ILE  40  -0.185 -14.214   4.116
  316    H    VAL  41           H        VAL  41  -5.244 -12.700   6.488
  317    HA   VAL  41           HA       VAL  41  -7.458 -11.351   5.116
  318    HB   VAL  41           HB       VAL  41  -8.313 -11.061   7.458
  319   1HG1  VAL  41          HG11      VAL  41  -9.019 -13.419   7.715
  320   2HG1  VAL  41          HG12      VAL  41  -9.128 -12.883   6.040
  321   3HG1  VAL  41          HG13      VAL  41  -7.785 -13.924   6.542
  322   1HG2  VAL  41          HG21      VAL  41  -6.157 -13.093   8.238
  323   2HG2  VAL  41          HG22      VAL  41  -6.094 -11.359   8.663
  324   3HG2  VAL  41          HG23      VAL  41  -7.398 -12.382   9.279
  325    H    ALA  42           H        ALA  42  -8.046  -9.165   5.657
  326    HA   ALA  42           HA       ALA  42  -5.967  -7.260   5.556
  327   1HB   ALA  42          HB1       ALA  42  -8.873  -6.953   6.432
  328   2HB   ALA  42          HB2       ALA  42  -7.795  -5.641   5.928
  329   3HB   ALA  42          HB3       ALA  42  -8.304  -6.872   4.759
  330    H    ASP  43           H        ASP  43  -4.626  -6.767   7.137
  331    HA   ASP  43           HA       ASP  43  -4.893  -7.360   9.897
  332   1HB   ASP  43          HB2       ASP  43  -2.741  -6.928   8.838
  333   2HB   ASP  43          HB3       ASP  43  -3.215  -5.272   8.458
  334    H    ARG  44           H        ARG  44  -6.142  -4.589   8.063
  335    HA   ARG  44           HA       ARG  44  -7.819  -3.945  10.309
  336   1HB   ARG  44          HB2       ARG  44  -7.305  -1.523  10.356
  337   2HB   ARG  44          HB3       ARG  44  -6.021  -2.503  11.018
  338   1HG   ARG  44          HG2       ARG  44  -5.879  -1.571   8.116
  339   2HG   ARG  44          HG3       ARG  44  -5.497  -0.481   9.456
  340   1HD   ARG  44          HD2       ARG  44  -3.903  -2.320  10.289
  341   2HD   ARG  44          HD3       ARG  44  -4.057  -3.026   8.665
  342    HE   ARG  44           HE       ARG  44  -3.483  -0.390   8.163
  343   1HH1  ARG  44          HH11      ARG  44  -1.829  -2.883  10.120
  344   2HH1  ARG  44          HH12      ARG  44  -0.324  -2.018  10.137
  345   1HH2  ARG  44          HH21      ARG  44  -1.625   0.723   8.253
  346   2HH2  ARG  44          HH22      ARG  44  -0.188   0.124   9.044
  347    H    SER  45           H        SER  45  -9.509  -2.384   9.695
  348    HA   SER  45           HA       SER  45 -10.489  -2.702   7.041
  349   1HB   SER  45          HB2       SER  45 -11.251  -0.651   9.166
  350   2HB   SER  45          HB3       SER  45 -12.280  -1.264   7.855
  351    HG   SER  45           HG       SER  45 -12.628  -2.239   9.966
  352    H    GLY  46           H        GLY  46 -10.930  -0.918   5.504
  353   1HA   GLY  46          HA2       GLY  46 -10.112   1.695   5.621
  354   2HA   GLY  46          HA3       GLY  46  -8.642   0.823   5.134
  355    H    ILE  47           H        ILE  47  -8.786   2.013   3.122
  356    HA   ILE  47           HA       ILE  47 -10.359   0.482   1.164
  357    HB   ILE  47           HB       ILE  47  -9.950   3.505   1.038
  358   1HG1  ILE  47          HG12      ILE  47 -12.412   1.764   1.463
  359   2HG1  ILE  47          HG13      ILE  47 -11.770   2.996   2.544
  360   1HG2  ILE  47          HG21      ILE  47 -11.112   3.391  -1.126
  361   2HG2  ILE  47          HG22      ILE  47  -9.691   2.370  -1.182
  362   3HG2  ILE  47          HG23      ILE  47 -11.292   1.629  -0.964
  363   1HD1  ILE  47          HD11      ILE  47 -12.362   4.731   0.805
  364   2HD1  ILE  47          HD12      ILE  47 -13.191   3.434  -0.104
  365   3HD1  ILE  47          HD13      ILE  47 -13.741   3.867   1.520
  366    H    VAL  48           H        VAL  48  -9.040  -0.313  -0.351
  367    HA   VAL  48           HA       VAL  48  -6.209  -0.251   0.096
  368    HB   VAL  48           HB       VAL  48  -7.883  -1.304  -2.215
  369   1HG1  VAL  48          HG11      VAL  48  -5.547  -1.075  -2.942
  370   2HG1  VAL  48          HG12      VAL  48  -4.972  -1.848  -1.453
  371   3HG1  VAL  48          HG13      VAL  48  -5.902  -2.775  -2.661
  372   1HG2  VAL  48          HG21      VAL  48  -8.441  -2.391  -0.059
  373   2HG2  VAL  48          HG22      VAL  48  -7.613  -3.496  -1.149
  374   3HG2  VAL  48          HG23      VAL  48  -6.723  -2.746   0.199
  375    H    LYS  49           H        LYS  49  -4.750   1.147  -0.632
  376    HA   LYS  49           HA       LYS  49  -5.454   3.138  -2.707
  377   1HB   LYS  49          HB2       LYS  49  -4.203   3.769  -0.591
  378   2HB   LYS  49          HB3       LYS  49  -2.864   2.744  -1.140
  379   1HG   LYS  49          HG2       LYS  49  -2.899   4.152  -3.316
  380   2HG   LYS  49          HG3       LYS  49  -3.980   5.257  -2.459
  381   1HD   LYS  49          HD2       LYS  49  -1.170   4.425  -1.618
  382   2HD   LYS  49          HD3       LYS  49  -1.602   5.974  -2.366
  383   1HE   LYS  49          HE2       LYS  49  -3.017   6.540  -0.404
  384   2HE   LYS  49          HE3       LYS  49  -2.639   4.973   0.326
  385   1HZ   LYS  49          HZ1       LYS  49  -0.736   7.174  -0.136
  386   2HZ   LYS  49          HZ2       LYS  49  -1.228   6.495   1.292
  387   3HZ   LYS  49          HZ3       LYS  49  -0.273   5.640   0.269
  388    H    GLU  50           H        GLU  50  -3.181   0.334  -2.011
  389    HA   GLU  50           HA       GLU  50  -3.070  -0.173  -4.910
  390   1HB   GLU  50          HB2       GLU  50  -1.286   1.574  -4.354
  391   2HB   GLU  50          HB3       GLU  50  -0.513   0.362  -3.325
  392   1HG   GLU  50          HG2       GLU  50  -0.044  -1.057  -5.213
  393   2HG   GLU  50          HG3       GLU  50  -1.112  -0.123  -6.268
  394    H    VAL  51           H        VAL  51  -2.259  -2.305  -5.365
  395    HA   VAL  51           HA       VAL  51  -1.883  -4.091  -3.009
  396    HB   VAL  51           HB       VAL  51  -2.633  -4.991  -5.817
  397   1HG1  VAL  51          HG11      VAL  51  -1.632  -6.669  -4.240
  398   2HG1  VAL  51          HG12      VAL  51  -2.930  -6.332  -3.084
  399   3HG1  VAL  51          HG13      VAL  51  -3.306  -7.046  -4.664
  400   1HG2  VAL  51          HG21      VAL  51  -4.520  -3.606  -5.096
  401   2HG2  VAL  51          HG22      VAL  51  -4.940  -5.322  -5.035
  402   3HG2  VAL  51          HG23      VAL  51  -4.570  -4.456  -3.536
  403    H    LYS  52           H        LYS  52   0.198  -4.714  -2.754
  404    HA   LYS  52           HA       LYS  52   2.164  -3.668  -4.667
  405   1HB   LYS  52          HB2       LYS  52   2.472  -5.096  -1.985
  406   2HB   LYS  52          HB3       LYS  52   3.759  -4.296  -2.876
  407   1HG   LYS  52          HG2       LYS  52   1.305  -2.870  -1.747
  408   2HG   LYS  52          HG3       LYS  52   2.888  -2.941  -0.984
  409   1HD   LYS  52          HD2       LYS  52   3.905  -1.768  -2.917
  410   2HD   LYS  52          HD3       LYS  52   2.299  -1.658  -3.687
  411   1HE   LYS  52          HE2       LYS  52   1.432  -0.401  -1.798
  412   2HE   LYS  52          HE3       LYS  52   2.983  -0.522  -0.947
  413   1HZ   LYS  52          HZ1       LYS  52   2.649   1.595  -2.057
  414   2HZ   LYS  52          HZ2       LYS  52   3.969   0.829  -2.681
  415   3HZ   LYS  52          HZ3       LYS  52   2.555   0.866  -3.532
  416    H    LYS  53           H        LYS  53   0.463  -6.465  -4.705
  417    HA   LYS  53           HA       LYS  53   2.533  -8.038  -6.085
  418   1HB   LYS  53          HB2       LYS  53   0.905  -9.021  -3.685
  419   2HB   LYS  53          HB3       LYS  53   1.824 -10.086  -4.757
  420   1HG   LYS  53          HG2       LYS  53   3.109  -7.893  -3.077
  421   2HG   LYS  53          HG3       LYS  53   2.937  -9.575  -2.590
  422   1HD   LYS  53          HD2       LYS  53   4.224 -10.328  -4.545
  423   2HD   LYS  53          HD3       LYS  53   4.433  -8.644  -5.090
  424   1HE   LYS  53          HE2       LYS  53   5.744  -8.083  -3.181
  425   2HE   LYS  53          HE3       LYS  53   5.277  -9.561  -2.342
  426   1HZ   LYS  53          HZ1       LYS  53   7.408  -9.887  -3.094
  427   2HZ   LYS  53          HZ2       LYS  53   6.498 -10.816  -4.071
  428   3HZ   LYS  53          HZ3       LYS  53   7.106  -9.387  -4.649
  429    H    LYS  54           H        LYS  54   1.201 -10.198  -6.788
  430    HA   LYS  54           HA       LYS  54  -1.577  -9.540  -7.492
  431   1HB   LYS  54          HB2       LYS  54  -1.250 -10.182  -9.833
  432   2HB   LYS  54          HB3       LYS  54  -0.300  -8.753  -9.446
  433   1HG   LYS  54          HG2       LYS  54   1.755 -10.068  -9.310
  434   2HG   LYS  54          HG3       LYS  54   0.877 -11.580  -9.532
  435   1HD   LYS  54          HD2       LYS  54   1.018  -9.328 -11.574
  436   2HD   LYS  54          HD3       LYS  54   2.062 -10.743 -11.584
  437   1HE   LYS  54          HE2       LYS  54  -0.983 -10.833 -11.839
  438   2HE   LYS  54          HE3       LYS  54   0.146 -10.853 -13.192
  439   1HZ   LYS  54          HZ1       LYS  54   1.064 -12.933 -12.298
  440   2HZ   LYS  54          HZ2       LYS  54  -0.077 -12.961 -11.111
  441   3HZ   LYS  54          HZ3       LYS  54  -0.512 -13.071 -12.675
  442    H    GLU  55           H        GLU  55  -2.690 -11.506  -8.285
  443    HA   GLU  55           HA       GLU  55  -2.325 -13.876  -6.861
  444   1HB   GLU  55          HB2       GLU  55  -4.336 -13.219  -8.135
  445   2HB   GLU  55          HB3       GLU  55  -3.456 -13.378  -9.660
  446   1HG   GLU  55          HG2       GLU  55  -3.160 -15.816  -9.217
  447   2HG   GLU  55          HG3       GLU  55  -4.044 -15.627  -7.709
  448    H    GLY  56           H        GLY  56  -0.719 -15.306  -6.854
  449   1HA   GLY  56          HA2       GLY  56   0.638 -16.947  -7.741
  450   2HA   GLY  56          HA3       GLY  56   0.510 -16.225  -9.350
  451    H    ASP  57           H        ASP  57   1.363 -13.661  -7.260
  452    HA   ASP  57           HA       ASP  57   4.090 -13.659  -8.215
  453   1HB   ASP  57          HB2       ASP  57   2.560 -11.643  -7.448
  454   2HB   ASP  57          HB3       ASP  57   3.180 -12.015  -5.855
  455    H    PHE  58           H        PHE  58   5.971 -13.594  -6.722
  456    HA   PHE  58           HA       PHE  58   5.899 -15.799  -4.723
  457   1HB   PHE  58          HB2       PHE  58   7.749 -15.750  -6.373
  458   2HB   PHE  58          HB3       PHE  58   8.187 -14.128  -5.846
  459    HD1  PHE  58           HD1      PHE  58   9.629 -13.805  -3.946
  460    HD2  PHE  58           HD2      PHE  58   7.884 -17.683  -4.682
  461    HE1  PHE  58           HE1      PHE  58  11.082 -14.795  -2.196
  462    HE2  PHE  58           HE2      PHE  58   9.339 -18.667  -2.930
  463    HZ   PHE  58           HZ       PHE  58  10.952 -17.229  -1.695
  464    H    VAL  59           H        VAL  59   6.319 -15.349  -2.507
  465    HA   VAL  59           HA       VAL  59   6.551 -12.543  -1.637
  466    HB   VAL  59           HB       VAL  59   4.546 -13.059  -0.099
  467   1HG1  VAL  59          HG11      VAL  59   4.518 -11.306  -1.772
  468   2HG1  VAL  59          HG12      VAL  59   3.959 -12.461  -3.014
  469   3HG1  VAL  59          HG13      VAL  59   2.936 -12.071  -1.623
  470   1HG2  VAL  59          HG21      VAL  59   2.743 -14.416  -1.068
  471   2HG2  VAL  59          HG22      VAL  59   3.794 -14.949  -2.374
  472   3HG2  VAL  59          HG23      VAL  59   4.163 -15.415  -0.694
  473    H    ASN  60           H        ASN  60   6.863 -12.403   0.756
  474    HA   ASN  60           HA       ASN  60   7.735 -14.854   2.030
  475   1HB   ASN  60          HB2       ASN  60   9.639 -13.307   0.527
  476   2HB   ASN  60          HB3       ASN  60   9.969 -13.004   2.226
  477   1HD2  ASN  60          HD22      ASN  60   9.091 -15.781   0.053
  478   2HD2  ASN  60          HD21      ASN  60  10.227 -16.898   0.776
  479    H    GLU  61           H        GLU  61   8.721 -14.393   4.234
  480    HA   GLU  61           HA       GLU  61   6.870 -12.877   5.773
  481   1HB   GLU  61          HB2       GLU  61   8.262 -14.786   6.591
  482   2HB   GLU  61          HB3       GLU  61   9.710 -13.783   6.443
  483   1HG   GLU  61          HG2       GLU  61   8.670 -12.168   8.093
  484   2HG   GLU  61          HG3       GLU  61   7.327 -13.294   8.276
  485    H    GLY  62           H        GLY  62   6.648 -10.733   5.935
  486   1HA   GLY  62          HA2       GLY  62   7.262  -8.573   6.426
  487   2HA   GLY  62          HA3       GLY  62   8.966  -8.949   6.139
  488    H    ASP  63           H        ASP  63   7.264 -10.184   3.466
  489    HA   ASP  63           HA       ASP  63   8.109  -7.954   1.771
  490   1HB   ASP  63          HB2       ASP  63   8.314 -10.437   1.203
  491   2HB   ASP  63          HB3       ASP  63   6.557 -10.453   1.003
  492    H    VAL  64           H        VAL  64   6.660  -6.538   0.776
  493    HA   VAL  64           HA       VAL  64   4.320  -5.920   2.319
  494    HB   VAL  64           HB       VAL  64   4.049  -4.111   0.592
  495   1HG1  VAL  64          HG11      VAL  64   5.281  -3.781   2.690
  496   2HG1  VAL  64          HG12      VAL  64   6.786  -4.314   1.911
  497   3HG1  VAL  64          HG13      VAL  64   5.978  -2.827   1.369
  498   1HG2  VAL  64          HG21      VAL  64   5.204  -5.325  -1.318
  499   2HG2  VAL  64          HG22      VAL  64   5.762  -3.665  -1.040
  500   3HG2  VAL  64          HG23      VAL  64   6.748  -5.032  -0.498
  501    H    LEU  65           H        LEU  65   2.130  -5.649   1.549
  502    HA   LEU  65           HA       LEU  65   1.363  -7.445  -0.709
  503   1HB   LEU  65          HB2       LEU  65   1.204  -8.585   1.487
  504   2HB   LEU  65          HB3       LEU  65   0.125  -7.347   2.082
  505    HG   LEU  65           HG       LEU  65  -0.844  -9.577   1.395
  506   1HD1  LEU  65          HD11      LEU  65  -2.275  -7.616   1.786
  507   2HD1  LEU  65          HD12      LEU  65  -2.195  -7.239   0.041
  508   3HD1  LEU  65          HD13      LEU  65  -2.927  -8.746   0.597
  509   1HD2  LEU  65          HD21      LEU  65   0.382  -9.822  -0.762
  510   2HD2  LEU  65          HD22      LEU  65  -1.376 -10.034  -0.892
  511   3HD2  LEU  65          HD23      LEU  65  -0.628  -8.529  -1.451
  512    H    LEU  66           H        LEU  66   0.363  -4.705   1.484
  513    HA   LEU  66           HA       LEU  66  -1.407  -3.710  -0.673
  514   1HB   LEU  66          HB2       LEU  66  -2.299  -5.358   1.357
  515   2HB   LEU  66          HB3       LEU  66  -2.383  -3.819   2.173
  516    HG   LEU  66           HG       LEU  66  -4.058  -3.016   0.648
  517   1HD1  LEU  66          HD11      LEU  66  -3.405  -3.885  -1.493
  518   2HD1  LEU  66          HD12      LEU  66  -3.554  -5.564  -0.936
  519   3HD1  LEU  66          HD13      LEU  66  -4.993  -4.530  -1.132
  520   1HD2  LEU  66          HD21      LEU  66  -4.590  -5.948   1.384
  521   2HD2  LEU  66          HD22      LEU  66  -4.744  -4.581   2.499
  522   3HD2  LEU  66          HD23      LEU  66  -5.821  -4.711   1.098
  523    H    GLU  67           H        GLU  67  -1.906  -1.484  -0.407
  524    HA   GLU  67           HA       GLU  67  -0.751  -0.052   1.921
  525   1HB   GLU  67          HB2       GLU  67   0.701   0.295  -0.085
  526   2HB   GLU  67          HB3       GLU  67  -0.688   1.004  -0.937
  527   1HG   GLU  67          HG2       GLU  67  -0.861   2.706   0.901
  528   2HG   GLU  67          HG3       GLU  67   0.559   1.985   1.672
  529    H    LEU  68           H        LEU  68  -2.208   1.337   2.781
  530    HA   LEU  68           HA       LEU  68  -4.951   1.337   1.596
  531   1HB   LEU  68          HB2       LEU  68  -4.190   1.207   4.541
  532   2HB   LEU  68          HB3       LEU  68  -5.799   1.119   3.851
  533    HG   LEU  68           HG       LEU  68  -3.633  -1.005   3.648
  534   1HD1  LEU  68          HD11      LEU  68  -6.299  -0.960   5.131
  535   2HD1  LEU  68          HD12      LEU  68  -5.164  -2.322   5.061
  536   3HD1  LEU  68          HD13      LEU  68  -4.686  -0.822   5.866
  537   1HD2  LEU  68          HD21      LEU  68  -4.912  -1.069   1.607
  538   2HD2  LEU  68          HD22      LEU  68  -5.404  -2.406   2.628
  539   3HD2  LEU  68          HD23      LEU  68  -6.455  -0.977   2.501
  540    H    SER  69           H        SER  69  -5.912   3.340   1.540
  541    HA   SER  69           HA       SER  69  -4.490   5.719   2.178
  542   1HB   SER  69          HB2       SER  69  -7.494   5.299   1.945
  543   2HB   SER  69          HB3       SER  69  -6.605   6.823   1.720
  544    HG   SER  69           HG       SER  69  -7.078   5.791  -0.275
  545    H    ASN  70           H        ASN  70  -6.836   3.771   4.067
  546    HA   ASN  70           HA       ASN  70  -7.138   5.560   6.243
  547   1HB   ASN  70          HB2       ASN  70  -8.591   3.583   5.755
  548   2HB   ASN  70          HB3       ASN  70  -7.273   2.518   6.278
  549   1HD2  ASN  70          HD22      ASN  70  -8.249   1.611   8.161
  550   2HD2  ASN  70          HD21      ASN  70  -8.720   2.596   9.524
  551    H    SER  71           H        SER  71  -4.346   3.683   5.379
  552    HA   SER  71           HA       SER  71  -3.211   3.855   8.132
  553   1HB   SER  71          HB2       SER  71  -2.400   2.306   5.649
  554   2HB   SER  71          HB3       SER  71  -1.483   2.333   7.164
  555    HG   SER  71           HG       SER  71  -4.223   1.608   7.047
  556    H    THR  72           H        THR  72  -3.301   5.763   5.299
  557    HA   THR  72           HA       THR  72  -0.566   6.825   5.822
  558    HB   THR  72           HB       THR  72  -0.243   6.875   3.348
  559    HG1  THR  72           HG1      THR  72  -2.386   5.006   3.259
  560   1HG2  THR  72          HG21      THR  72  -0.669   4.035   4.353
  561   2HG2  THR  72          HG22      THR  72   0.396   4.576   3.044
  562   3HG2  THR  72          HG23      THR  72   0.755   5.038   4.716
  563    H    GLN  73           H        GLN  73  -3.731   7.693   5.880
  564    HA   GLN  73           HA       GLN  73  -3.138  10.501   5.160
  565   1HB   GLN  73          HB2       GLN  73  -5.640   8.933   4.389
  566   2HB   GLN  73          HB3       GLN  73  -5.437  10.667   4.202
  567   1HG   GLN  73          HG2       GLN  73  -3.695   8.621   2.750
  568   2HG   GLN  73          HG3       GLN  73  -5.189   9.277   2.107
  569   1HE2  GLN  73          HE22      GLN  73  -1.896  10.217   3.182
  570   2HE2  GLN  73          HE21      GLN  73  -1.818  11.679   2.212
  571    HN3  BTI 135           HN3      BTL  35  -4.583 -25.637  -1.673
  572    HN2  BTI 135           HN2      BTL  35  -2.812 -25.071  -5.235
  573    H4   BTI 135           H4       BTL  35  -1.399 -24.033  -3.392
  574    H2   BTI 135           H2       BTL  35   0.160 -25.818  -3.046
  575    H62  BTI 135           H62      BTL  35  -1.013 -26.256  -0.752
  576    H63  BTI 135           H63      BTL  35  -2.603 -27.055  -0.711
  577    H5   BTI 135           H5       BTL  35  -2.391 -24.416  -1.310
  578    H72  BTI 135           H72      BTL  35  -1.194 -26.764  -5.573
  579    H73  BTI 135           H73      BTL  35  -0.143 -25.331  -5.469
  580    H82  BTI 135           H82      BTL  35   1.711 -26.713  -4.638
  581    H83  BTI 135           H83      BTL  35   0.665 -28.139  -4.639
  582    H92  BTI 135           H92      BTL  35   0.347 -27.638  -7.179
  583    H93  BTI 135           H93      BTL  35   1.743 -26.562  -7.007
  584   H102  BTI 135          H102      BTL  35   1.549 -29.569  -6.735
  585   H103  BTI 135          H103      BTL  35   2.576 -28.646  -7.823
  Start of MODEL    9
    1   1H    THR   2           H1       THR   2  -0.423   0.692   5.184
    2   2H    THR   2           H2       THR   2  -1.630  -0.337   5.593
    3   3H    THR   2           H3       THR   2  -0.314  -0.211   6.560
    4    HA   THR   2           HA       THR   2  -0.264  -1.202   3.807
    5    HB   THR   2           HB       THR   2   1.918  -1.154   5.926
    6    HG1  THR   2           HG1      THR   2   2.769   0.462   4.627
    7   1HG2  THR   2          HG21      THR   2   3.461  -1.762   4.125
    8   2HG2  THR   2          HG22      THR   2   2.246  -3.030   4.297
    9   3HG2  THR   2          HG23      THR   2   2.129  -1.859   2.960
   10    H    VAL   3           H        VAL   3  -0.216  -3.486   3.557
   11    HA   VAL   3           HA       VAL   3  -0.554  -5.138   5.987
   12    HB   VAL   3           HB       VAL   3  -2.094  -5.736   3.434
   13   1HG1  VAL   3          HG11      VAL   3  -1.678  -7.642   4.927
   14   2HG1  VAL   3          HG12      VAL   3  -2.376  -6.738   6.289
   15   3HG1  VAL   3          HG13      VAL   3  -3.392  -7.227   4.914
   16   1HG2  VAL   3          HG21      VAL   3  -4.184  -5.025   4.570
   17   2HG2  VAL   3          HG22      VAL   3  -3.222  -4.340   5.904
   18   3HG2  VAL   3          HG23      VAL   3  -3.116  -3.656   4.270
   19    H    SER   4           H        SER   4   0.620  -7.110   5.741
   20    HA   SER   4           HA       SER   4   2.316  -7.381   3.325
   21   1HB   SER   4          HB2       SER   4   3.325  -7.264   6.196
   22   2HB   SER   4          HB3       SER   4   4.315  -7.525   4.762
   23    HG   SER   4           HG       SER   4   4.325  -5.329   5.532
   24    H    ILE   5           H        ILE   5   3.516  -9.369   3.385
   25    HA   ILE   5           HA       ILE   5   1.843 -11.624   4.154
   26    HB   ILE   5           HB       ILE   5   4.513 -11.419   2.683
   27   1HG1  ILE   5          HG12      ILE   5   2.911 -10.096   1.433
   28   2HG1  ILE   5          HG13      ILE   5   3.208 -11.585   0.597
   29   1HG2  ILE   5          HG21      ILE   5   4.185 -13.673   3.407
   30   2HG2  ILE   5          HG22      ILE   5   2.475 -13.668   2.902
   31   3HG2  ILE   5          HG23      ILE   5   3.780 -13.645   1.707
   32   1HD1  ILE   5          HD11      ILE   5   0.869 -11.085   0.480
   33   2HD1  ILE   5          HD12      ILE   5   1.084 -12.524   1.476
   34   3HD1  ILE   5          HD13      ILE   5   0.745 -10.950   2.248
   35    H    GLN   6           H        GLN   6   2.627 -13.382   5.431
   36    HA   GLN   6           HA       GLN   6   4.590 -12.572   7.528
   37   1HB   GLN   6          HB2       GLN   6   3.051 -13.427   9.163
   38   2HB   GLN   6          HB3       GLN   6   2.202 -12.293   8.113
   39   1HG   GLN   6          HG2       GLN   6   1.355 -14.339   6.792
   40   2HG   GLN   6          HG3       GLN   6   2.025 -15.344   8.073
   41   1HE2  GLN   6          HE22      GLN   6  -0.619 -13.317   7.105
   42   2HE2  GLN   6          HE21      GLN   6  -1.563 -13.475   8.568
   43    H    MET   7           H        MET   7   4.340 -14.761   5.065
   44    HA   MET   7           HA       MET   7   6.084 -16.700   6.373
   45   1HB   MET   7          HB2       MET   7   3.934 -17.578   7.033
   46   2HB   MET   7          HB3       MET   7   3.265 -17.354   5.420
   47   1HG   MET   7          HG2       MET   7   3.750 -19.698   6.002
   48   2HG   MET   7          HG3       MET   7   4.518 -19.143   4.530
   49   1HE   MET   7          HE1       MET   7   6.950 -21.867   5.557
   50   2HE   MET   7          HE2       MET   7   5.171 -21.847   5.649
   51   3HE   MET   7          HE3       MET   7   5.991 -21.105   4.264
   52    H    ALA   8           H        ALA   8   7.137 -18.020   4.790
   53    HA   ALA   8           HA       ALA   8   7.631 -16.869   2.195
   54   1HB   ALA   8          HB1       ALA   8   8.383 -19.536   3.436
   55   2HB   ALA   8          HB2       ALA   8   9.025 -18.882   1.916
   56   3HB   ALA   8          HB3       ALA   8   9.355 -18.036   3.449
   57    H    GLY   9           H        GLY   9   6.649 -17.294   0.264
   58   1HA   GLY   9          HA2       GLY   9   5.250 -19.699  -0.336
   59   2HA   GLY   9          HA3       GLY   9   4.109 -18.568   0.390
   60    H    ASN  10           H        ASN  10   3.031 -18.829  -1.592
   61    HA   ASN  10           HA       ASN  10   3.871 -16.963  -3.747
   62   1HB   ASN  10          HB2       ASN  10   2.828 -19.817  -4.084
   63   2HB   ASN  10          HB3       ASN  10   2.981 -18.637  -5.383
   64   1HD2  ASN  10          HD21      ASN  10   4.712 -20.965  -3.397
   65   2HD2  ASN  10          HD22      ASN  10   6.291 -20.677  -4.102
   66    H    LEU  11           H        LEU  11   2.129 -15.771  -4.413
   67    HA   LEU  11           HA       LEU  11  -0.236 -15.796  -2.737
   68   1HB   LEU  11          HB2       LEU  11   0.890 -14.094  -4.946
   69   2HB   LEU  11          HB3       LEU  11  -0.800 -13.878  -4.532
   70    HG   LEU  11           HG       LEU  11   1.460 -13.725  -2.507
   71   1HD1  LEU  11          HD11      LEU  11   1.699 -11.990  -4.189
   72   2HD1  LEU  11          HD12      LEU  11   0.003 -11.499  -3.987
   73   3HD1  LEU  11          HD13      LEU  11   1.166 -11.273  -2.659
   74   1HD2  LEU  11          HD21      LEU  11  -0.762 -14.184  -1.472
   75   2HD2  LEU  11          HD22      LEU  11  -0.211 -12.551  -1.100
   76   3HD2  LEU  11          HD23      LEU  11  -1.438 -12.809  -2.355
   77    H    TRP  12           H        TRP  12  -0.989 -17.890  -3.196
   78    HA   TRP  12           HA       TRP  12  -1.876 -19.003  -5.580
   79   1HB   TRP  12          HB2       TRP  12  -1.810 -20.202  -3.533
   80   2HB   TRP  12          HB3       TRP  12  -2.876 -19.073  -2.729
   81    HD1  TRP  12           HD1      TRP  12  -4.582 -20.148  -5.877
   82    HE1  TRP  12           HE1      TRP  12  -6.351 -21.883  -5.333
   83    HE3  TRP  12           HE3      TRP  12  -3.068 -21.360  -1.159
   84    HZ2  TRP  12           HZ2      TRP  12  -7.224 -23.384  -2.999
   85    HZ3  TRP  12           HZ3      TRP  12  -4.411 -22.878   0.220
   86    HH2  TRP  12           HH2      TRP  12  -6.521 -23.882  -0.656
   87    H    LYS  13           H        LYS  13  -3.622 -16.587  -3.507
   88    HA   LYS  13           HA       LYS  13  -5.070 -15.682  -5.878
   89   1HB   LYS  13          HB2       LYS  13  -6.546 -16.807  -3.496
   90   2HB   LYS  13          HB3       LYS  13  -7.248 -15.636  -4.627
   91   1HG   LYS  13          HG2       LYS  13  -6.774 -17.162  -6.539
   92   2HG   LYS  13          HG3       LYS  13  -6.209 -18.385  -5.397
   93   1HD   LYS  13          HD2       LYS  13  -9.032 -17.270  -5.476
   94   2HD   LYS  13          HD3       LYS  13  -8.488 -18.814  -6.164
   95   1HE   LYS  13          HE2       LYS  13  -7.590 -19.444  -3.906
   96   2HE   LYS  13          HE3       LYS  13  -8.333 -17.984  -3.241
   97   1HZ   LYS  13          HZ1       LYS  13  -9.821 -20.212  -4.536
   98   2HZ   LYS  13          HZ2       LYS  13  -9.773 -19.925  -2.935
   99   3HZ   LYS  13          HZ3       LYS  13 -10.512 -18.864  -3.928
  100    H    VAL  14           H        VAL  14  -6.033 -13.622  -5.565
  101    HA   VAL  14           HA       VAL  14  -5.377 -12.134  -3.112
  102    HB   VAL  14           HB       VAL  14  -4.695 -11.244  -5.954
  103   1HG1  VAL  14          HG11      VAL  14  -3.917  -9.124  -4.913
  104   2HG1  VAL  14          HG12      VAL  14  -5.657  -9.325  -4.771
  105   3HG1  VAL  14          HG13      VAL  14  -4.607  -9.635  -3.359
  106   1HG2  VAL  14          HG21      VAL  14  -2.917 -12.620  -4.907
  107   2HG2  VAL  14          HG22      VAL  14  -2.402 -10.933  -5.030
  108   3HG2  VAL  14          HG23      VAL  14  -2.950 -11.573  -3.474
  109    H    HIS  15           H        HIS  15  -7.012 -10.632  -2.682
  110    HA   HIS  15           HA       HIS  15  -9.510 -10.855  -4.303
  111   1HB   HIS  15          HB2       HIS  15  -9.262 -11.146  -1.282
  112   2HB   HIS  15          HB3       HIS  15 -10.737 -11.277  -2.232
  113    HD1  HIS  15           HD1      HIS  15 -10.660 -13.476  -4.087
  114    HD2  HIS  15           HD2      HIS  15  -7.999 -13.387  -0.830
  115    HE1  HIS  15           HE1      HIS  15  -9.766 -15.845  -3.816
  116    H    VAL  16           H        VAL  16  -7.348  -8.709  -3.699
  117    HA   VAL  16           HA       VAL  16  -9.212  -6.487  -3.061
  118    HB   VAL  16           HB       VAL  16  -7.104  -5.375  -2.109
  119   1HG1  VAL  16          HG11      VAL  16  -8.303  -7.707  -0.578
  120   2HG1  VAL  16          HG12      VAL  16  -7.484  -6.278   0.113
  121   3HG1  VAL  16          HG13      VAL  16  -9.019  -6.093  -0.754
  122   1HG2  VAL  16          HG21      VAL  16  -5.376  -6.983  -2.830
  123   2HG2  VAL  16          HG22      VAL  16  -5.434  -6.876  -1.059
  124   3HG2  VAL  16          HG23      VAL  16  -6.133  -8.266  -1.858
  125    H    LYS  17           H        LYS  17  -8.662  -4.483  -4.097
  126    HA   LYS  17           HA       LYS  17  -6.693  -4.521  -6.265
  127   1HB   LYS  17          HB2       LYS  17  -9.647  -3.832  -6.689
  128   2HB   LYS  17          HB3       LYS  17  -8.353  -3.549  -7.859
  129   1HG   LYS  17          HG2       LYS  17  -7.913  -6.025  -7.904
  130   2HG   LYS  17          HG3       LYS  17  -9.342  -6.259  -6.884
  131   1HD   LYS  17          HD2       LYS  17  -9.332  -4.983  -9.653
  132   2HD   LYS  17          HD3       LYS  17  -9.788  -6.653  -9.287
  133   1HE   LYS  17          HE2       LYS  17 -11.627  -5.827  -7.817
  134   2HE   LYS  17          HE3       LYS  17 -11.200  -4.161  -8.229
  135   1HZ   LYS  17          HZ1       LYS  17 -12.136  -6.206 -10.158
  136   2HZ   LYS  17          HZ2       LYS  17 -13.022  -4.966  -9.585
  137   3HZ   LYS  17          HZ3       LYS  17 -11.738  -4.668 -10.543
  138    H    ALA  18           H        ALA  18  -6.246  -2.185  -6.881
  139    HA   ALA  18           HA       ALA  18  -6.396  -0.294  -4.755
  140   1HB   ALA  18          HB1       ALA  18  -4.779  -0.104  -6.611
  141   2HB   ALA  18          HB2       ALA  18  -6.114   0.160  -7.761
  142   3HB   ALA  18          HB3       ALA  18  -5.783   1.355  -6.491
  143    H    GLY  19           H        GLY  19  -7.929   1.206  -4.197
  144   1HA   GLY  19          HA2       GLY  19  -9.838   2.462  -4.280
  145   2HA   GLY  19          HA3       GLY  19 -10.220   1.830  -5.885
  146    H    ASP  20           H        ASP  20  -9.727  -0.981  -4.141
  147    HA   ASP  20           HA       ASP  20 -12.560  -1.427  -3.591
  148   1HB   ASP  20          HB2       ASP  20 -10.916  -3.177  -4.379
  149   2HB   ASP  20          HB3       ASP  20 -10.133  -3.075  -2.795
  150    H    GLN  21           H        GLN  21 -12.990  -2.422  -1.216
  151    HA   GLN  21           HA       GLN  21 -11.563  -0.840   0.853
  152   1HB   GLN  21          HB2       GLN  21 -13.893   0.136   0.227
  153   2HB   GLN  21          HB3       GLN  21 -14.562  -1.320   0.975
  154   1HG   GLN  21          HG2       GLN  21 -13.289  -0.748   3.079
  155   2HG   GLN  21          HG3       GLN  21 -12.742   0.742   2.314
  156   1HE2  GLN  21          HE22      GLN  21 -14.237   0.463   4.784
  157   2HE2  GLN  21          HE21      GLN  21 -15.742   1.309   4.565
  158    H    ILE  22           H        ILE  22 -11.375  -1.904   2.841
  159    HA   ILE  22           HA       ILE  22 -12.250  -4.725   3.037
  160    HB   ILE  22           HB       ILE  22 -10.031  -5.398   3.776
  161   1HG1  ILE  22          HG12      ILE  22  -9.123  -2.556   3.132
  162   2HG1  ILE  22          HG13      ILE  22  -9.194  -3.306   4.729
  163   1HG2  ILE  22          HG21      ILE  22  -8.943  -5.501   1.661
  164   2HG2  ILE  22          HG22      ILE  22 -10.680  -5.538   1.357
  165   3HG2  ILE  22          HG23      ILE  22  -9.758  -4.045   1.067
  166   1HD1  ILE  22          HD11      ILE  22  -6.920  -3.339   4.033
  167   2HD1  ILE  22          HD12      ILE  22  -7.495  -5.007   3.890
  168   3HD1  ILE  22          HD13      ILE  22  -7.339  -4.002   2.438
  169    H    GLU  23           H        GLU  23 -11.745  -5.565   5.290
  170    HA   GLU  23           HA       GLU  23 -12.287  -3.523   7.336
  171   1HB   GLU  23          HB2       GLU  23 -14.456  -4.321   6.303
  172   2HB   GLU  23          HB3       GLU  23 -14.038  -5.967   6.811
  173   1HG   GLU  23          HG2       GLU  23 -13.945  -5.189   9.170
  174   2HG   GLU  23          HG3       GLU  23 -14.311  -3.545   8.635
  175    H    LYS  24           H        LYS  24 -11.377  -4.231   9.302
  176    HA   LYS  24           HA       LYS  24  -9.176  -5.884   9.167
  177   1HB   LYS  24          HB2       LYS  24  -9.766  -4.145  10.897
  178   2HB   LYS  24          HB3       LYS  24 -10.809  -5.329  11.687
  179   1HG   LYS  24          HG2       LYS  24  -8.845  -6.802  12.073
  180   2HG   LYS  24          HG3       LYS  24  -7.823  -5.683  11.162
  181   1HD   LYS  24          HD2       LYS  24  -8.463  -3.880  12.874
  182   2HD   LYS  24          HD3       LYS  24  -9.212  -5.180  13.825
  183   1HE   LYS  24          HE2       LYS  24  -6.963  -6.370  13.780
  184   2HE   LYS  24          HE3       LYS  24  -6.285  -4.941  12.982
  185   1HZ   LYS  24          HZ1       LYS  24  -5.911  -4.880  15.360
  186   2HZ   LYS  24          HZ2       LYS  24  -6.883  -3.643  14.941
  187   3HZ   LYS  24          HZ3       LYS  24  -7.505  -4.962  15.683
  188    H    GLY  25           H        GLY  25  -8.853  -8.025   9.043
  189   1HA   GLY  25          HA2       GLY  25  -9.125 -10.269   9.561
  190   2HA   GLY  25          HA3       GLY  25 -10.689  -9.942  10.302
  191    H    GLN  26           H        GLN  26 -10.797  -8.461   7.220
  192    HA   GLN  26           HA       GLN  26 -12.402 -10.594   6.045
  193   1HB   GLN  26          HB2       GLN  26 -12.763  -8.085   5.673
  194   2HB   GLN  26          HB3       GLN  26 -11.227  -8.067   4.797
  195   1HG   GLN  26          HG2       GLN  26 -12.445 -10.024   3.383
  196   2HG   GLN  26          HG3       GLN  26 -13.888  -9.262   4.023
  197   1HE2  GLN  26          HE22      GLN  26 -11.256  -9.054   1.739
  198   2HE2  GLN  26          HE21      GLN  26 -11.741  -7.538   0.996
  199    H    GLU  27           H        GLU  27 -11.628 -11.978   4.393
  200    HA   GLU  27           HA       GLU  27  -8.813 -12.517   4.104
  201   1HB   GLU  27          HB2       GLU  27 -10.667 -14.142   3.790
  202   2HB   GLU  27          HB3       GLU  27 -11.175 -13.276   2.336
  203   1HG   GLU  27          HG2       GLU  27  -9.063 -13.839   1.224
  204   2HG   GLU  27          HG3       GLU  27  -8.417 -14.526   2.719
  205    H    VAL  28           H        VAL  28  -7.333 -11.557   2.790
  206    HA   VAL  28           HA       VAL  28  -8.277  -9.862   0.543
  207    HB   VAL  28           HB       VAL  28  -6.304  -8.418   0.992
  208   1HG1  VAL  28          HG11      VAL  28  -7.289  -7.164   2.815
  209   2HG1  VAL  28          HG12      VAL  28  -8.604  -7.845   1.829
  210   3HG1  VAL  28          HG13      VAL  28  -8.195  -8.588   3.376
  211   1HG2  VAL  28          HG21      VAL  28  -6.132  -9.858   3.669
  212   2HG2  VAL  28          HG22      VAL  28  -4.926  -9.990   2.366
  213   3HG2  VAL  28          HG23      VAL  28  -5.200  -8.439   3.176
  214    H    ALA  29           H        ALA  29  -6.058 -12.461   1.626
  215    HA   ALA  29           HA       ALA  29  -5.689 -13.120  -1.167
  216   1HB   ALA  29          HB1       ALA  29  -3.332 -12.098   0.469
  217   2HB   ALA  29          HB2       ALA  29  -3.128 -13.190  -0.909
  218   3HB   ALA  29          HB3       ALA  29  -3.850 -11.588  -1.138
  219    H    ILE  30           H        ILE  30  -4.162 -15.135  -1.239
  220    HA   ILE  30           HA       ILE  30  -4.212 -16.693   1.279
  221    HB   ILE  30           HB       ILE  30  -5.173 -17.814  -1.393
  222   1HG1  ILE  30          HG12      ILE  30  -6.760 -17.192   1.143
  223   2HG1  ILE  30          HG13      ILE  30  -6.927 -16.411  -0.432
  224   1HG2  ILE  30          HG21      ILE  30  -4.978 -19.130   1.360
  225   2HG2  ILE  30          HG22      ILE  30  -5.591 -19.894  -0.127
  226   3HG2  ILE  30          HG23      ILE  30  -3.909 -19.448  -0.024
  227   1HD1  ILE  30          HD11      ILE  30  -8.733 -17.913  -0.315
  228   2HD1  ILE  30          HD12      ILE  30  -7.547 -18.708  -1.374
  229   3HD1  ILE  30          HD13      ILE  30  -7.732 -19.231   0.314
  230    H    LEU  31           H        LEU  31  -2.399 -17.901   1.505
  231    HA   LEU  31           HA       LEU  31  -0.292 -17.799  -0.584
  232   1HB   LEU  31          HB2       LEU  31  -0.273 -18.579   2.354
  233   2HB   LEU  31          HB3       LEU  31   1.104 -18.799   1.308
  234    HG   LEU  31           HG       LEU  31  -0.135 -16.212   2.250
  235   1HD1  LEU  31          HD11      LEU  31   2.094 -15.844   3.190
  236   2HD1  LEU  31          HD12      LEU  31   1.463 -17.408   3.715
  237   3HD1  LEU  31          HD13      LEU  31   2.693 -17.334   2.436
  238   1HD2  LEU  31          HD21      LEU  31   1.927 -16.575   0.014
  239   2HD2  LEU  31          HD22      LEU  31   0.353 -15.745  -0.098
  240   3HD2  LEU  31          HD23      LEU  31   1.637 -15.044   0.876
  241    H    GLU  32           H        GLU  32   0.103 -19.484  -1.665
  242    HA   GLU  32           HA       GLU  32  -0.241 -22.213  -0.590
  243   1HB   GLU  32          HB2       GLU  32  -0.478 -22.152  -3.005
  244   2HB   GLU  32          HB3       GLU  32   0.858 -21.035  -3.193
  245   1HG   GLU  32          HG2       GLU  32   1.549 -23.668  -1.921
  246   2HG   GLU  32          HG3       GLU  32   0.999 -23.731  -3.583
  247    H    SER  33           H        SER  33   1.530 -22.977   0.475
  248    HA   SER  33           HA       SER  33   4.038 -21.381   0.541
  249   1HB   SER  33          HB2       SER  33   2.159 -22.071   2.789
  250   2HB   SER  33          HB3       SER  33   3.906 -22.055   3.094
  251    HG   SER  33           HG       SER  33   3.988 -19.931   2.487
  252    H    MET  34           H        MET  34   4.595 -23.029  -0.981
  253    HA   MET  34           HA       MET  34   5.583 -24.974  -1.585
  254   1HB   MET  34          HB2       MET  34   6.828 -24.663   1.181
  255   2HB   MET  34          HB3       MET  34   7.468 -25.623  -0.156
  256   1HG   MET  34          HG2       MET  34   8.715 -23.681  -0.261
  257   2HG   MET  34          HG3       MET  34   7.520 -23.477  -1.535
  258   1HE   MET  34          HE1       MET  34   7.988 -20.932  -1.812
  259   2HE   MET  34          HE2       MET  34   8.124 -19.786  -0.462
  260   3HE   MET  34          HE3       MET  34   9.311 -21.097  -0.633
  261    H    LYS  35           H        BTL  35   3.131 -25.583  -1.059
  262    HA   LYS  35           HA       BTL  35   1.851 -27.352  -1.106
  263   1HB   LYS  35          HB2       BTL  35   3.830 -29.052   0.452
  264   2HB   LYS  35          HB3       BTL  35   2.414 -29.593  -0.423
  265   1HG   LYS  35          HG2       BTL  35   4.920 -28.425  -1.697
  266   2HG   LYS  35          HG3       BTL  35   4.421 -30.115  -1.666
  267   1HD   LYS  35          HD2       BTL  35   2.371 -29.522  -2.962
  268   2HD   LYS  35          HD3       BTL  35   2.935 -27.841  -3.054
  269   1HE   LYS  35          HE2       BTL  35   4.971 -28.573  -4.258
  270   2HE   LYS  35          HE3       BTL  35   4.426 -30.261  -4.154
  271   1HZ   LYS  35          HZ1       BTL  35   2.615 -29.794  -5.596
  272    H    MET  36           H        MET  36   2.149 -25.309   1.184
  273    HA   MET  36           HA       MET  36   0.063 -26.588   2.887
  274   1HB   MET  36          HB2       MET  36   2.061 -24.433   3.680
  275   2HB   MET  36          HB3       MET  36   0.815 -25.139   4.706
  276   1HG   MET  36          HG2       MET  36   1.893 -27.344   4.556
  277   2HG   MET  36          HG3       MET  36   3.160 -26.682   3.523
  278   1HE   MET  36          HE1       MET  36   4.017 -23.924   4.781
  279   2HE   MET  36          HE2       MET  36   5.313 -24.494   5.854
  280   3HE   MET  36          HE3       MET  36   5.110 -25.218   4.242
  281    H    GLU  37           H        GLU  37  -1.359 -24.814   3.851
  282    HA   GLU  37           HA       GLU  37  -2.082 -22.809   1.776
  283   1HB   GLU  37          HB2       GLU  37  -4.451 -23.512   2.274
  284   2HB   GLU  37          HB3       GLU  37  -3.473 -24.674   1.367
  285   1HG   GLU  37          HG2       GLU  37  -3.183 -26.029   3.434
  286   2HG   GLU  37          HG3       GLU  37  -4.180 -24.877   4.324
  287    H    ILE  38           H        ILE  38  -2.324 -20.782   2.648
  288    HA   ILE  38           HA       ILE  38  -3.000 -20.553   5.538
  289    HB   ILE  38           HB       ILE  38  -0.653 -19.046   4.363
  290   1HG1  ILE  38          HG12      ILE  38  -0.463 -21.636   5.955
  291   2HG1  ILE  38          HG13      ILE  38  -0.049 -21.438   4.243
  292   1HG2  ILE  38          HG21      ILE  38  -1.831 -18.141   6.388
  293   2HG2  ILE  38          HG22      ILE  38  -1.438 -19.642   7.246
  294   3HG2  ILE  38          HG23      ILE  38  -0.152 -18.547   6.690
  295   1HD1  ILE  38          HD11      ILE  38   1.672 -19.764   4.867
  296   2HD1  ILE  38          HD12      ILE  38   1.412 -20.206   6.577
  297   3HD1  ILE  38          HD13      ILE  38   1.979 -21.423   5.419
  298    HA   PRO  39           HA       PRO  39  -5.480 -17.262   3.511
  299   1HB   PRO  39          HB2       PRO  39  -6.080 -16.631   6.398
  300   2HB   PRO  39          HB3       PRO  39  -7.208 -16.789   5.022
  301   1HG   PRO  39          HG2       PRO  39  -6.990 -18.771   6.884
  302   2HG   PRO  39          HG3       PRO  39  -7.176 -19.160   5.144
  303   1HD   PRO  39          HD2       PRO  39  -4.638 -19.131   6.795
  304   2HD   PRO  39          HD3       PRO  39  -5.195 -20.333   5.589
  305    H    ILE  40           H        ILE  40  -5.344 -14.926   3.500
  306    HA   ILE  40           HA       ILE  40  -3.508 -13.634   5.435
  307    HB   ILE  40           HB       ILE  40  -3.690 -12.916   2.493
  308   1HG1  ILE  40          HG12      ILE  40  -1.164 -14.026   3.748
  309   2HG1  ILE  40          HG13      ILE  40  -2.334 -15.117   3.005
  310   1HG2  ILE  40          HG21      ILE  40  -1.768 -11.391   3.077
  311   2HG2  ILE  40          HG22      ILE  40  -3.216 -11.011   3.999
  312   3HG2  ILE  40          HG23      ILE  40  -1.889 -11.916   4.756
  313   1HD1  ILE  40          HD11      ILE  40  -0.408 -14.179   1.547
  314   2HD1  ILE  40          HD12      ILE  40  -2.035 -14.301   0.870
  315   3HD1  ILE  40          HD13      ILE  40  -1.378 -12.737   1.407
  316    H    VAL  41           H        VAL  41  -4.700 -12.176   6.481
  317    HA   VAL  41           HA       VAL  41  -7.244 -11.239   5.288
  318    HB   VAL  41           HB       VAL  41  -8.011 -11.115   7.704
  319   1HG1  VAL  41          HG11      VAL  41  -7.511 -13.850   6.434
  320   2HG1  VAL  41          HG12      VAL  41  -8.604 -13.555   7.804
  321   3HG1  VAL  41          HG13      VAL  41  -8.940 -12.807   6.252
  322   1HG2  VAL  41          HG21      VAL  41  -5.709 -11.512   8.747
  323   2HG2  VAL  41          HG22      VAL  41  -6.988 -12.574   9.354
  324   3HG2  VAL  41          HG23      VAL  41  -5.821 -13.207   8.183
  325    H    ALA  42           H        ALA  42  -7.956  -9.173   5.967
  326    HA   ALA  42           HA       ALA  42  -6.034  -7.157   5.625
  327   1HB   ALA  42          HB1       ALA  42  -8.434  -6.929   5.032
  328   2HB   ALA  42          HB2       ALA  42  -8.862  -7.039   6.744
  329   3HB   ALA  42          HB3       ALA  42  -7.947  -5.643   6.157
  330    H    ASP  43           H        ASP  43  -4.495  -6.715   7.069
  331    HA   ASP  43           HA       ASP  43  -4.560  -7.087   9.862
  332   1HB   ASP  43          HB2       ASP  43  -2.493  -6.728   8.609
  333   2HB   ASP  43          HB3       ASP  43  -2.971  -5.066   8.241
  334    H    ARG  44           H        ARG  44  -5.998  -4.478   7.972
  335    HA   ARG  44           HA       ARG  44  -7.378  -3.500  10.311
  336   1HB   ARG  44          HB2       ARG  44  -6.656  -1.185  10.169
  337   2HB   ARG  44          HB3       ARG  44  -5.274  -2.227  10.493
  338   1HG   ARG  44          HG2       ARG  44  -4.856  -2.140   7.906
  339   2HG   ARG  44          HG3       ARG  44  -5.980  -0.773   7.918
  340   1HD   ARG  44          HD2       ARG  44  -3.393  -1.045   9.488
  341   2HD   ARG  44          HD3       ARG  44  -3.634  -0.046   8.046
  342    HE   ARG  44           HE       ARG  44  -5.304   0.437  10.458
  343   1HH1  ARG  44          HH21      ARG  44  -2.822   1.845   8.212
  344   2HH1  ARG  44          HH22      ARG  44  -2.606   3.206   9.278
  345   1HH2  ARG  44          HH11      ARG  44  -5.073   2.418  11.592
  346   2HH2  ARG  44          HH12      ARG  44  -3.926   3.594  11.029
  347    H    SER  45           H        SER  45  -9.160  -2.051   9.670
  348    HA   SER  45           HA       SER  45 -10.275  -2.545   7.068
  349   1HB   SER  45          HB2       SER  45 -10.985  -0.429   9.147
  350   2HB   SER  45          HB3       SER  45 -12.045  -1.066   7.874
  351    HG   SER  45           HG       SER  45 -12.344  -1.980  10.021
  352    H    GLY  46           H        GLY  46 -10.715  -0.871   5.409
  353   1HA   GLY  46          HA2       GLY  46 -10.139   1.774   5.421
  354   2HA   GLY  46          HA3       GLY  46  -8.540   1.087   5.107
  355    H    ILE  47           H        ILE  47  -9.195   2.580   3.175
  356    HA   ILE  47           HA       ILE  47 -10.528   1.078   0.973
  357    HB   ILE  47           HB       ILE  47  -9.358   3.874   1.280
  358   1HG1  ILE  47          HG12      ILE  47 -11.704   3.446   2.104
  359   2HG1  ILE  47          HG13      ILE  47 -11.528   4.726   0.915
  360   1HG2  ILE  47          HG21      ILE  47 -10.240   2.565  -1.319
  361   2HG2  ILE  47          HG22      ILE  47 -10.032   4.317  -1.093
  362   3HG2  ILE  47          HG23      ILE  47  -8.647   3.238  -0.923
  363   1HD1  ILE  47          HD11      ILE  47 -13.539   3.252   0.590
  364   2HD1  ILE  47          HD12      ILE  47 -12.493   3.367  -0.833
  365   3HD1  ILE  47          HD13      ILE  47 -12.442   1.917   0.186
  366    H    VAL  48           H        VAL  48  -9.163   0.157  -0.649
  367    HA   VAL  48           HA       VAL  48  -6.345  -0.233   0.108
  368    HB   VAL  48           HB       VAL  48  -7.935  -1.145  -2.313
  369   1HG1  VAL  48          HG11      VAL  48  -5.526  -1.116  -2.798
  370   2HG1  VAL  48          HG12      VAL  48  -5.167  -1.906  -1.260
  371   3HG1  VAL  48          HG13      VAL  48  -6.032  -2.787  -2.552
  372   1HG2  VAL  48          HG21      VAL  48  -7.218  -2.634   0.249
  373   2HG2  VAL  48          HG22      VAL  48  -8.847  -2.176  -0.288
  374   3HG2  VAL  48          HG23      VAL  48  -7.936  -3.374  -1.203
  375    H    LYS  49           H        LYS  49  -4.830   1.259  -0.452
  376    HA   LYS  49           HA       LYS  49  -5.349   3.270  -2.540
  377   1HB   LYS  49          HB2       LYS  49  -4.130   3.783  -0.411
  378   2HB   LYS  49          HB3       LYS  49  -2.883   2.625  -0.858
  379   1HG   LYS  49          HG2       LYS  49  -2.318   3.964  -2.851
  380   2HG   LYS  49          HG3       LYS  49  -3.583   5.141  -2.427
  381   1HD   LYS  49          HD2       LYS  49  -2.448   5.701  -0.344
  382   2HD   LYS  49          HD3       LYS  49  -1.338   4.334  -0.532
  383   1HE   LYS  49          HE2       LYS  49  -0.398   5.403  -2.586
  384   2HE   LYS  49          HE3       LYS  49  -1.404   6.827  -2.277
  385   1HZ   LYS  49          HZ1       LYS  49  -0.235   7.134  -0.195
  386   2HZ   LYS  49          HZ2       LYS  49   0.607   5.736  -0.375
  387   3HZ   LYS  49          HZ3       LYS  49   0.877   7.010  -1.381
  388    H    GLU  50           H        GLU  50  -3.233   0.351  -1.952
  389    HA   GLU  50           HA       GLU  50  -2.941   0.030  -4.860
  390   1HB   GLU  50          HB2       GLU  50  -1.188   1.727  -4.135
  391   2HB   GLU  50          HB3       GLU  50  -0.543   0.512  -3.026
  392   1HG   GLU  50          HG2       GLU  50   0.781   0.750  -5.075
  393   2HG   GLU  50          HG3       GLU  50   0.196  -0.882  -4.830
  394    H    VAL  51           H        VAL  51  -1.901  -2.017  -5.377
  395    HA   VAL  51           HA       VAL  51  -1.689  -3.945  -3.114
  396    HB   VAL  51           HB       VAL  51  -2.347  -4.809  -5.939
  397   1HG1  VAL  51          HG11      VAL  51  -2.932  -6.101  -3.235
  398   2HG1  VAL  51          HG12      VAL  51  -3.113  -6.832  -4.841
  399   3HG1  VAL  51          HG13      VAL  51  -1.504  -6.454  -4.208
  400   1HG2  VAL  51          HG21      VAL  51  -4.726  -5.065  -5.272
  401   2HG2  VAL  51          HG22      VAL  51  -4.412  -4.102  -3.816
  402   3HG2  VAL  51          HG23      VAL  51  -4.239  -3.374  -5.427
  403    H    LYS  52           H        LYS  52   0.391  -4.458  -2.812
  404    HA   LYS  52           HA       LYS  52   2.412  -3.463  -4.685
  405   1HB   LYS  52          HB2       LYS  52   2.667  -4.961  -2.029
  406   2HB   LYS  52          HB3       LYS  52   3.965  -4.139  -2.887
  407   1HG   LYS  52          HG2       LYS  52   1.509  -2.748  -1.722
  408   2HG   LYS  52          HG3       LYS  52   3.089  -2.841  -0.960
  409   1HD   LYS  52          HD2       LYS  52   4.119  -1.566  -2.785
  410   2HD   LYS  52          HD3       LYS  52   2.560  -1.488  -3.643
  411   1HE   LYS  52          HE2       LYS  52   1.537  -0.288  -1.796
  412   2HE   LYS  52          HE3       LYS  52   3.008  -0.424  -0.825
  413   1HZ   LYS  52          HZ1       LYS  52   4.126   1.019  -2.382
  414   2HZ   LYS  52          HZ2       LYS  52   2.815   1.095  -3.363
  415   3HZ   LYS  52          HZ3       LYS  52   2.745   1.737  -1.855
  416    H    LYS  53           H        LYS  53   0.642  -6.262  -4.635
  417    HA   LYS  53           HA       LYS  53   2.618  -7.835  -6.145
  418   1HB   LYS  53          HB2       LYS  53   1.134  -8.892  -3.696
  419   2HB   LYS  53          HB3       LYS  53   2.047  -9.880  -4.844
  420   1HG   LYS  53          HG2       LYS  53   3.380  -7.717  -3.183
  421   2HG   LYS  53          HG3       LYS  53   3.176  -9.384  -2.657
  422   1HD   LYS  53          HD2       LYS  53   4.387 -10.215  -4.625
  423   2HD   LYS  53          HD3       LYS  53   4.652  -8.547  -5.199
  424   1HE   LYS  53          HE2       LYS  53   6.028  -8.019  -3.326
  425   2HE   LYS  53          HE3       LYS  53   5.449  -9.412  -2.417
  426   1HZ   LYS  53          HZ1       LYS  53   7.330  -9.486  -4.681
  427   2HZ   LYS  53          HZ2       LYS  53   7.544  -9.939  -3.097
  428   3HZ   LYS  53          HZ3       LYS  53   6.605 -10.843  -4.069
  429    H    LYS  54           H        LYS  54   1.202 -10.024  -6.702
  430    HA   LYS  54           HA       LYS  54  -1.578  -9.394  -7.252
  431   1HB   LYS  54          HB2       LYS  54  -1.442  -9.843  -9.639
  432   2HB   LYS  54          HB3       LYS  54  -0.540  -8.400  -9.237
  433   1HG   LYS  54          HG2       LYS  54   0.804 -11.111  -9.661
  434   2HG   LYS  54          HG3       LYS  54   0.435  -9.998 -10.976
  435   1HD   LYS  54          HD2       LYS  54   1.843  -8.244  -9.909
  436   2HD   LYS  54          HD3       LYS  54   2.284  -9.397  -8.636
  437   1HE   LYS  54          HE2       LYS  54   3.151 -10.951 -10.411
  438   2HE   LYS  54          HE3       LYS  54   2.876  -9.674 -11.604
  439   1HZ   LYS  54          HZ1       LYS  54   4.428  -8.281 -10.354
  440   2HZ   LYS  54          HZ2       LYS  54   4.641  -9.462  -9.225
  441   3HZ   LYS  54          HZ3       LYS  54   5.158  -9.679 -10.770
  442    H    GLU  55           H        GLU  55  -2.655 -11.373  -8.128
  443    HA   GLU  55           HA       GLU  55  -1.995 -13.774  -6.802
  444   1HB   GLU  55          HB2       GLU  55  -4.205 -13.149  -7.723
  445   2HB   GLU  55          HB3       GLU  55  -3.578 -13.292  -9.371
  446   1HG   GLU  55          HG2       GLU  55  -3.145 -15.708  -8.995
  447   2HG   GLU  55          HG3       GLU  55  -3.707 -15.552  -7.339
  448    H    GLY  56           H        GLY  56  -0.547 -15.316  -7.220
  449   1HA   GLY  56          HA2       GLY  56   0.730 -16.764  -8.503
  450   2HA   GLY  56          HA3       GLY  56   0.703 -15.643  -9.868
  451    H    ASP  57           H        ASP  57   1.476 -13.611  -7.279
  452    HA   ASP  57           HA       ASP  57   4.250 -13.618  -8.177
  453   1HB   ASP  57          HB2       ASP  57   2.716 -11.584  -7.458
  454   2HB   ASP  57          HB3       ASP  57   3.303 -11.967  -5.851
  455    H    PHE  58           H        PHE  58   6.049 -13.626  -6.629
  456    HA   PHE  58           HA       PHE  58   5.868 -15.839  -4.646
  457   1HB   PHE  58          HB2       PHE  58   7.701 -15.912  -6.305
  458   2HB   PHE  58          HB3       PHE  58   8.217 -14.299  -5.835
  459    HD1  PHE  58           HD1      PHE  58   9.592 -13.930  -3.872
  460    HD2  PHE  58           HD2      PHE  58   7.925 -17.832  -4.656
  461    HE1  PHE  58           HE1      PHE  58  11.036 -14.906  -2.106
  462    HE2  PHE  58           HE2      PHE  58   9.375 -18.803  -2.894
  463    HZ   PHE  58           HZ       PHE  58  10.939 -17.343  -1.621
  464    H    VAL  59           H        VAL  59   6.323 -15.392  -2.440
  465    HA   VAL  59           HA       VAL  59   6.792 -12.609  -1.606
  466    HB   VAL  59           HB       VAL  59   4.815 -12.802  -0.078
  467   1HG1  VAL  59          HG11      VAL  59   4.061 -12.615  -3.015
  468   2HG1  VAL  59          HG12      VAL  59   3.196 -11.919  -1.639
  469   3HG1  VAL  59          HG13      VAL  59   4.809 -11.325  -2.034
  470   1HG2  VAL  59          HG21      VAL  59   3.824 -14.936  -2.024
  471   2HG2  VAL  59          HG22      VAL  59   4.289 -15.215  -0.329
  472   3HG2  VAL  59          HG23      VAL  59   2.906 -14.178  -0.720
  473    H    ASN  60           H        ASN  60   7.019 -12.474   0.815
  474    HA   ASN  60           HA       ASN  60   7.703 -14.956   2.137
  475   1HB   ASN  60          HB2       ASN  60   9.766 -13.426   0.786
  476   2HB   ASN  60          HB3       ASN  60   9.998 -13.247   2.517
  477   1HD2  ASN  60          HD22      ASN  60   9.073 -15.872   0.182
  478   2HD2  ASN  60          HD21      ASN  60  10.125 -17.079   0.887
  479    H    GLU  61           H        GLU  61   8.542 -14.507   4.404
  480    HA   GLU  61           HA       GLU  61   6.628 -12.942   5.797
  481   1HB   GLU  61          HB2       GLU  61   7.956 -14.851   6.723
  482   2HB   GLU  61          HB3       GLU  61   9.414 -13.853   6.663
  483   1HG   GLU  61          HG2       GLU  61   8.262 -12.219   8.225
  484   2HG   GLU  61          HG3       GLU  61   6.918 -13.354   8.335
  485    H    GLY  62           H        GLY  62   6.405 -10.802   5.949
  486   1HA   GLY  62          HA2       GLY  62   7.014  -8.650   6.506
  487   2HA   GLY  62          HA3       GLY  62   8.726  -9.031   6.272
  488    H    ASP  63           H        ASP  63   7.115 -10.227   3.530
  489    HA   ASP  63           HA       ASP  63   7.993  -7.966   1.886
  490   1HB   ASP  63          HB2       ASP  63   8.230 -10.435   1.277
  491   2HB   ASP  63          HB3       ASP  63   6.479 -10.468   1.045
  492    H    VAL  64           H        VAL  64   6.541  -6.518   0.911
  493    HA   VAL  64           HA       VAL  64   4.100  -6.057   2.385
  494    HB   VAL  64           HB       VAL  64   3.887  -4.127   0.787
  495   1HG1  VAL  64          HG11      VAL  64   6.528  -4.357   2.284
  496   2HG1  VAL  64          HG12      VAL  64   5.720  -2.853   1.790
  497   3HG1  VAL  64          HG13      VAL  64   4.957  -3.912   2.984
  498   1HG2  VAL  64          HG21      VAL  64   6.685  -4.885  -0.172
  499   2HG2  VAL  64          HG22      VAL  64   5.213  -5.157  -1.121
  500   3HG2  VAL  64          HG23      VAL  64   5.693  -3.509  -0.680
  501    H    LEU  65           H        LEU  65   1.966  -5.769   1.463
  502    HA   LEU  65           HA       LEU  65   1.408  -7.273  -1.058
  503   1HB   LEU  65          HB2       LEU  65   0.882  -8.778   0.772
  504   2HB   LEU  65          HB3       LEU  65   0.030  -7.513   1.645
  505    HG   LEU  65           HG       LEU  65  -1.732  -7.450  -0.122
  506   1HD1  LEU  65          HD11      LEU  65  -0.259  -9.854  -1.283
  507   2HD1  LEU  65          HD12      LEU  65  -1.884  -9.312  -1.750
  508   3HD1  LEU  65          HD13      LEU  65  -0.493  -8.278  -2.070
  509   1HD2  LEU  65          HD21      LEU  65  -2.846  -9.485   0.515
  510   2HD2  LEU  65          HD22      LEU  65  -1.317 -10.209   1.050
  511   3HD2  LEU  65          HD23      LEU  65  -1.997  -8.809   1.913
  512    H    LEU  66           H        LEU  66   0.306  -4.768   1.341
  513    HA   LEU  66           HA       LEU  66  -1.402  -3.605  -0.792
  514   1HB   LEU  66          HB2       LEU  66  -2.343  -5.425   1.048
  515   2HB   LEU  66          HB3       LEU  66  -2.427  -3.967   2.018
  516    HG   LEU  66           HG       LEU  66  -3.986  -2.963   0.402
  517   1HD1  LEU  66          HD11      LEU  66  -3.324  -3.956  -1.707
  518   2HD1  LEU  66          HD12      LEU  66  -3.548  -5.595  -1.082
  519   3HD1  LEU  66          HD13      LEU  66  -4.946  -4.528  -1.377
  520   1HD2  LEU  66          HD21      LEU  66  -5.861  -4.529   0.812
  521   2HD2  LEU  66          HD22      LEU  66  -4.721  -5.831   1.196
  522   3HD2  LEU  66          HD23      LEU  66  -4.834  -4.415   2.253
  523    H    GLU  67           H        GLU  67  -1.862  -1.405  -0.473
  524    HA   GLU  67           HA       GLU  67  -0.810  -0.083   1.973
  525   1HB   GLU  67          HB2       GLU  67   0.648   0.313  -0.095
  526   2HB   GLU  67          HB3       GLU  67  -0.727   1.191  -0.793
  527   1HG   GLU  67          HG2       GLU  67  -0.738   2.655   1.249
  528   2HG   GLU  67          HG3       GLU  67   0.683   1.781   1.840
  529    H    LEU  68           H        LEU  68  -2.244   1.658   2.654
  530    HA   LEU  68           HA       LEU  68  -4.956   1.382   1.464
  531   1HB   LEU  68          HB2       LEU  68  -4.247   1.616   4.391
  532   2HB   LEU  68          HB3       LEU  68  -5.842   1.365   3.704
  533    HG   LEU  68           HG       LEU  68  -3.563  -0.647   3.673
  534   1HD1  LEU  68          HD11      LEU  68  -4.615  -0.279   5.871
  535   2HD1  LEU  68          HD12      LEU  68  -6.205  -0.654   5.181
  536   3HD1  LEU  68          HD13      LEU  68  -4.943  -1.907   5.242
  537   1HD2  LEU  68          HD21      LEU  68  -4.928  -0.986   1.666
  538   2HD2  LEU  68          HD22      LEU  68  -5.228  -2.258   2.831
  539   3HD2  LEU  68          HD23      LEU  68  -6.417  -0.946   2.638
  540    H    SER  69           H        SER  69  -6.424   2.953   2.191
  541    HA   SER  69           HA       SER  69  -5.534   5.664   2.876
  542   1HB   SER  69          HB2       SER  69  -7.302   4.897   0.510
  543   2HB   SER  69          HB3       SER  69  -7.171   6.541   1.160
  544    HG   SER  69           HG       SER  69  -5.771   6.244  -0.588
  545    H    ASN  70           H        ASN  70  -7.847   6.911   3.268
  546    HA   ASN  70           HA       ASN  70  -9.366   7.159   4.901
  547   1HB   ASN  70          HB2       ASN  70 -10.771   6.010   3.177
  548   2HB   ASN  70          HB3       ASN  70 -10.458   4.479   4.002
  549   1HD2  ASN  70          HD22      ASN  70 -12.615   4.056   4.697
  550   2HD2  ASN  70          HD21      ASN  70 -13.456   5.089   5.819
  551    H    SER  71           H        SER  71  -6.886   6.042   5.600
  552    HA   SER  71           HA       SER  71  -7.172   5.141   8.286
  553   1HB   SER  71          HB2       SER  71  -5.833   3.017   7.850
  554   2HB   SER  71          HB3       SER  71  -7.522   2.946   7.336
  555    HG   SER  71           HG       SER  71  -6.874   3.297   5.210
  556    H    THR  72           H        THR  72  -4.735   4.971   9.122
  557    HA   THR  72           HA       THR  72  -3.531   7.367   8.220
  558    HB   THR  72           HB       THR  72  -1.659   6.649   9.796
  559    HG1  THR  72           HG1      THR  72  -1.935   4.844  10.947
  560   1HG2  THR  72          HG21      THR  72  -3.570   8.054  10.532
  561   2HG2  THR  72          HG22      THR  72  -4.513   6.590  10.891
  562   3HG2  THR  72          HG23      THR  72  -3.036   6.951  11.809
  563    H    GLN  73           H        GLN  73  -2.861   4.001   7.300
  564    HA   GLN  73           HA       GLN  73  -1.259   4.735   5.069
  565   1HB   GLN  73          HB2       GLN  73   0.456   5.144   6.828
  566   2HB   GLN  73          HB3       GLN  73   0.142   3.556   7.521
  567   1HG   GLN  73          HG2       GLN  73   2.229   3.579   6.297
  568   2HG   GLN  73          HG3       GLN  73   1.094   2.477   5.546
  569   1HE2  GLN  73          HE22      GLN  73  -0.123   3.340   3.619
  570   2HE2  GLN  73          HE21      GLN  73   0.800   4.326   2.468
  571    HN3  BTI 135           HN3      BTL  35  -4.852 -25.809  -1.728
  572    HN2  BTI 135           HN2      BTL  35  -3.117 -24.799  -5.208
  573    H4   BTI 135           H4       BTL  35  -1.722 -23.925  -3.270
  574    H2   BTI 135           H2       BTL  35  -0.110 -25.687  -3.128
  575    H62  BTI 135           H62      BTL  35  -1.255 -26.376  -0.866
  576    H63  BTI 135           H63      BTL  35  -2.810 -27.233  -0.901
  577    H5   BTI 135           H5       BTL  35  -2.703 -24.549  -1.240
  578    H72  BTI 135           H72      BTL  35  -1.457 -26.404  -5.732
  579    H73  BTI 135           H73      BTL  35  -0.476 -24.941  -5.477
  580    H82  BTI 135           H82      BTL  35   1.436 -26.346  -4.763
  581    H83  BTI 135           H83      BTL  35   0.454 -27.789  -5.005
  582    H92  BTI 135           H92      BTL  35   0.182 -26.951  -7.471
  583    H93  BTI 135           H93      BTL  35   1.478 -25.812  -7.089
  584   H102  BTI 135          H102      BTL  35   1.570 -28.842  -7.192
  585   H103  BTI 135          H103      BTL  35   2.503 -27.701  -8.159
  Start of MODEL   10
    1   1H    THR   2           H1       THR   2   1.118  -2.078   3.271
    2   2H    THR   2           H2       THR   2   1.693  -0.658   3.858
    3   3H    THR   2           H3       THR   2   2.412  -2.081   4.293
    4    HA   THR   2           HA       THR   2   1.135  -1.259   6.079
    5    HB   THR   2           HB       THR   2  -1.315  -1.387   4.302
    6    HG1  THR   2           HG1      THR   2  -0.901   1.053   4.746
    7   1HG2  THR   2          HG21      THR   2  -0.805  -0.047   6.996
    8   2HG2  THR   2          HG22      THR   2  -2.323  -0.022   6.073
    9   3HG2  THR   2          HG23      THR   2  -1.737  -1.546   6.753
   10    H    VAL   3           H        VAL   3  -0.843  -3.529   3.975
   11    HA   VAL   3           HA       VAL   3  -0.536  -5.582   6.088
   12    HB   VAL   3           HB       VAL   3  -1.916  -5.964   3.415
   13   1HG1  VAL   3          HG11      VAL   3  -2.321  -7.254   6.143
   14   2HG1  VAL   3          HG12      VAL   3  -3.216  -7.642   4.660
   15   3HG1  VAL   3          HG13      VAL   3  -1.487  -7.990   4.753
   16   1HG2  VAL   3          HG21      VAL   3  -3.068  -4.012   4.389
   17   2HG2  VAL   3          HG22      VAL   3  -4.086  -5.440   4.561
   18   3HG2  VAL   3          HG23      VAL   3  -3.171  -4.828   5.959
   19    H    SER   4           H        SER   4   0.782  -7.414   5.711
   20    HA   SER   4           HA       SER   4   2.486  -7.489   3.297
   21   1HB   SER   4          HB2       SER   4   3.471  -7.293   6.190
   22   2HB   SER   4          HB3       SER   4   4.499  -7.642   4.802
   23    HG   SER   4           HG       SER   4   4.486  -5.406   5.429
   24    H    ILE   5           H        ILE   5   3.715  -9.496   3.264
   25    HA   ILE   5           HA       ILE   5   2.131 -11.803   4.107
   26    HB   ILE   5           HB       ILE   5   4.678 -11.415   2.458
   27   1HG1  ILE   5          HG12      ILE   5   2.765 -12.515   0.786
   28   2HG1  ILE   5          HG13      ILE   5   1.742 -11.551   1.825
   29   1HG2  ILE   5          HG21      ILE   5   3.141 -13.959   3.041
   30   2HG2  ILE   5          HG22      ILE   5   4.378 -13.810   1.787
   31   3HG2  ILE   5          HG23      ILE   5   4.831 -13.579   3.459
   32   1HD1  ILE   5          HD11      ILE   5   4.172 -10.528   0.272
   33   2HD1  ILE   5          HD12      ILE   5   2.471 -10.316  -0.193
   34   3HD1  ILE   5          HD13      ILE   5   3.097  -9.537   1.265
   35    H    GLN   6           H        GLN   6   2.971 -13.486   5.427
   36    HA   GLN   6           HA       GLN   6   5.119 -12.710   7.327
   37   1HB   GLN   6          HB2       GLN   6   3.748 -13.248   9.177
   38   2HB   GLN   6          HB3       GLN   6   2.854 -12.122   8.173
   39   1HG   GLN   6          HG2       GLN   6   2.387 -15.132   8.401
   40   2HG   GLN   6          HG3       GLN   6   1.375 -13.853   9.058
   41   1HE2  GLN   6          HE22      GLN   6   0.192 -12.444   7.492
   42   2HE2  GLN   6          HE21      GLN   6  -0.188 -13.081   5.908
   43    H    MET   7           H        MET   7   4.531 -14.878   4.994
   44    HA   MET   7           HA       MET   7   6.287 -16.816   6.288
   45   1HB   MET   7          HB2       MET   7   3.480 -17.397   6.013
   46   2HB   MET   7          HB3       MET   7   4.301 -18.310   4.753
   47   1HG   MET   7          HG2       MET   7   4.933 -18.341   7.725
   48   2HG   MET   7          HG3       MET   7   4.093 -19.608   6.834
   49   1HE   MET   7          HE1       MET   7   6.765 -21.514   4.920
   50   2HE   MET   7          HE2       MET   7   5.218 -21.635   5.792
   51   3HE   MET   7          HE3       MET   7   5.391 -20.489   4.450
   52    H    ALA   8           H        ALA   8   7.338 -18.183   4.665
   53    HA   ALA   8           HA       ALA   8   7.871 -16.882   2.123
   54   1HB   ALA   8          HB1       ALA   8   9.265 -18.885   1.744
   55   2HB   ALA   8          HB2       ALA   8   9.615 -18.093   3.300
   56   3HB   ALA   8          HB3       ALA   8   8.648 -19.596   3.250
   57    H    GLY   9           H        GLY   9   6.870 -17.294   0.159
   58   1HA   GLY   9          HA2       GLY   9   5.436 -19.679  -0.442
   59   2HA   GLY   9          HA3       GLY   9   4.323 -18.543   0.320
   60    H    ASN  10           H        ASN  10   3.176 -18.737  -1.615
   61    HA   ASN  10           HA       ASN  10   3.987 -16.893  -3.797
   62   1HB   ASN  10          HB2       ASN  10   2.893 -19.731  -4.119
   63   2HB   ASN  10          HB3       ASN  10   3.070 -18.557  -5.419
   64   1HD2  ASN  10          HD21      ASN  10   4.749 -20.925  -3.433
   65   2HD2  ASN  10          HD22      ASN  10   6.328 -20.687  -4.151
   66    H    LEU  11           H        LEU  11   2.195 -15.724  -4.476
   67    HA   LEU  11           HA       LEU  11  -0.118 -15.764  -2.723
   68   1HB   LEU  11          HB2       LEU  11   0.915 -14.056  -4.974
   69   2HB   LEU  11          HB3       LEU  11  -0.776 -13.884  -4.549
   70    HG   LEU  11           HG       LEU  11   1.461 -13.727  -2.495
   71   1HD1  LEU  11          HD11      LEU  11   0.086 -11.485  -4.021
   72   2HD1  LEU  11          HD12      LEU  11   1.198 -11.269  -2.645
   73   3HD1  LEU  11          HD13      LEU  11   1.785 -11.998  -4.149
   74   1HD2  LEU  11          HD21      LEU  11  -1.390 -12.677  -2.371
   75   2HD2  LEU  11          HD22      LEU  11  -0.850 -14.150  -1.560
   76   3HD2  LEU  11          HD23      LEU  11  -0.178 -12.590  -1.080
   77    H    TRP  12           H        TRP  12  -0.968 -17.824  -3.078
   78    HA   TRP  12           HA       TRP  12  -1.838 -19.011  -5.443
   79   1HB   TRP  12          HB2       TRP  12  -1.814 -20.082  -3.281
   80   2HB   TRP  12          HB3       TRP  12  -2.986 -18.957  -2.632
   81    HD1  TRP  12           HD1      TRP  12  -4.446 -20.137  -5.813
   82    HE1  TRP  12           HE1      TRP  12  -6.097 -22.025  -5.400
   83    HE3  TRP  12           HE3      TRP  12  -3.143 -21.301  -1.011
   84    HZ2  TRP  12           HZ2      TRP  12  -6.966 -23.653  -3.170
   85    HZ3  TRP  12           HZ3      TRP  12  -4.436 -22.981   0.243
   86    HH2  TRP  12           HH2      TRP  12  -6.367 -24.145  -0.801
   87    H    LYS  13           H        LYS  13  -3.633 -16.585  -3.424
   88    HA   LYS  13           HA       LYS  13  -4.952 -15.662  -5.866
   89   1HB   LYS  13          HB2       LYS  13  -6.555 -16.747  -3.508
   90   2HB   LYS  13          HB3       LYS  13  -7.215 -15.661  -4.739
   91   1HG   LYS  13          HG2       LYS  13  -6.594 -17.316  -6.514
   92   2HG   LYS  13          HG3       LYS  13  -6.135 -18.453  -5.239
   93   1HD   LYS  13          HD2       LYS  13  -8.920 -17.304  -5.648
   94   2HD   LYS  13          HD3       LYS  13  -8.364 -18.905  -6.157
   95   1HE   LYS  13          HE2       LYS  13  -7.799 -19.444  -3.775
   96   2HE   LYS  13          HE3       LYS  13  -8.477 -17.884  -3.289
   97   1HZ   LYS  13          HZ1       LYS  13 -10.632 -18.641  -4.173
   98   2HZ   LYS  13          HZ2       LYS  13  -9.988 -20.078  -4.605
   99   3HZ   LYS  13          HZ3       LYS  13 -10.094 -19.672  -3.033
  100    H    VAL  14           H        VAL  14  -6.157 -13.651  -5.443
  101    HA   VAL  14           HA       VAL  14  -5.459 -12.104  -3.062
  102    HB   VAL  14           HB       VAL  14  -4.831 -11.222  -5.914
  103   1HG1  VAL  14          HG11      VAL  14  -5.725  -9.314  -4.670
  104   2HG1  VAL  14          HG12      VAL  14  -4.640  -9.664  -3.297
  105   3HG1  VAL  14          HG13      VAL  14  -3.986  -9.131  -4.859
  106   1HG2  VAL  14          HG21      VAL  14  -3.005 -11.632  -3.510
  107   2HG2  VAL  14          HG22      VAL  14  -3.015 -12.624  -4.982
  108   3HG2  VAL  14          HG23      VAL  14  -2.500 -10.938  -5.060
  109    H    HIS  15           H        HIS  15  -7.087 -10.584  -2.722
  110    HA   HIS  15           HA       HIS  15  -9.592 -10.881  -4.325
  111   1HB   HIS  15          HB2       HIS  15  -9.357 -11.175  -1.302
  112   2HB   HIS  15          HB3       HIS  15 -10.826 -11.330  -2.261
  113    HD1  HIS  15           HD1      HIS  15 -10.694 -13.513  -4.129
  114    HD2  HIS  15           HD2      HIS  15  -8.017 -13.384  -0.887
  115    HE1  HIS  15           HE1      HIS  15  -9.703 -15.847  -3.917
  116    H    VAL  16           H        VAL  16  -7.519  -8.697  -3.841
  117    HA   VAL  16           HA       VAL  16  -9.400  -6.512  -3.137
  118    HB   VAL  16           HB       VAL  16  -7.287  -5.356  -2.229
  119   1HG1  VAL  16          HG11      VAL  16  -9.189  -6.084  -0.859
  120   2HG1  VAL  16          HG12      VAL  16  -8.450  -7.686  -0.672
  121   3HG1  VAL  16          HG13      VAL  16  -7.651  -6.240   0.005
  122   1HG2  VAL  16          HG21      VAL  16  -6.276  -8.227  -1.971
  123   2HG2  VAL  16          HG22      VAL  16  -5.551  -6.939  -2.958
  124   3HG2  VAL  16          HG23      VAL  16  -5.588  -6.823  -1.188
  125    H    LYS  17           H        LYS  17  -8.847  -4.470  -4.107
  126    HA   LYS  17           HA       LYS  17  -6.940  -4.464  -6.320
  127   1HB   LYS  17          HB2       LYS  17  -9.880  -3.666  -6.655
  128   2HB   LYS  17          HB3       LYS  17  -8.603  -3.426  -7.852
  129   1HG   LYS  17          HG2       LYS  17  -8.287  -5.925  -7.936
  130   2HG   LYS  17          HG3       LYS  17  -9.706  -6.094  -6.888
  131   1HD   LYS  17          HD2       LYS  17  -9.686  -4.789  -9.645
  132   2HD   LYS  17          HD3       LYS  17 -10.223  -6.437  -9.286
  133   1HE   LYS  17          HE2       LYS  17 -11.983  -5.531  -7.767
  134   2HE   LYS  17          HE3       LYS  17 -11.476  -3.886  -8.171
  135   1HZ   LYS  17          HZ1       LYS  17 -12.562  -5.853 -10.102
  136   2HZ   LYS  17          HZ2       LYS  17 -13.366  -4.574  -9.496
  137   3HZ   LYS  17          HZ3       LYS  17 -12.089  -4.333 -10.478
  138    H    ALA  18           H        ALA  18  -6.512  -2.110  -6.890
  139    HA   ALA  18           HA       ALA  18  -6.528  -0.312  -4.677
  140   1HB   ALA  18          HB1       ALA  18  -4.987  -0.064  -6.586
  141   2HB   ALA  18          HB2       ALA  18  -6.363   0.286  -7.663
  142   3HB   ALA  18          HB3       ALA  18  -5.951   1.406  -6.349
  143    H    GLY  19           H        GLY  19  -8.008   1.167  -3.969
  144   1HA   GLY  19          HA2       GLY  19  -9.869   2.495  -3.940
  145   2HA   GLY  19          HA3       GLY  19 -10.370   1.893  -5.523
  146    H    ASP  20           H        ASP  20  -9.837  -0.971  -3.854
  147    HA   ASP  20           HA       ASP  20 -12.687  -1.298  -3.364
  148   1HB   ASP  20          HB2       ASP  20 -11.202  -3.077  -4.306
  149   2HB   ASP  20          HB3       ASP  20 -10.352  -3.153  -2.757
  150    H    GLN  21           H        GLN  21 -13.736  -1.463  -1.378
  151    HA   GLN  21           HA       GLN  21 -12.429  -0.433   1.045
  152   1HB   GLN  21          HB2       GLN  21 -14.779   0.148   0.489
  153   2HB   GLN  21          HB3       GLN  21 -15.201  -1.559   0.446
  154   1HG   GLN  21          HG2       GLN  21 -16.027  -0.724   2.491
  155   2HG   GLN  21          HG3       GLN  21 -14.656  -1.724   2.906
  156   1HE2  GLN  21          HE22      GLN  21 -13.332  -0.780   4.504
  157   2HE2  GLN  21          HE21      GLN  21 -13.223   0.942   4.770
  158    H    ILE  22           H        ILE  22 -11.756  -1.713   2.755
  159    HA   ILE  22           HA       ILE  22 -12.538  -4.556   2.872
  160    HB   ILE  22           HB       ILE  22 -10.310  -5.234   3.556
  161   1HG1  ILE  22          HG12      ILE  22  -9.356  -2.422   2.852
  162   2HG1  ILE  22          HG13      ILE  22  -9.479  -3.097   4.482
  163   1HG2  ILE  22          HG21      ILE  22 -11.011  -5.371   1.162
  164   2HG2  ILE  22          HG22      ILE  22 -10.129  -3.865   0.848
  165   3HG2  ILE  22          HG23      ILE  22  -9.266  -5.312   1.408
  166   1HD1  ILE  22          HD11      ILE  22  -7.207  -3.278   3.876
  167   2HD1  ILE  22          HD12      ILE  22  -7.851  -4.917   3.721
  168   3HD1  ILE  22          HD13      ILE  22  -7.588  -3.937   2.268
  169    H    GLU  23           H        GLU  23 -11.915  -5.439   5.130
  170    HA   GLU  23           HA       GLU  23 -12.569  -3.459   7.207
  171   1HB   GLU  23          HB2       GLU  23 -14.691  -4.275   6.128
  172   2HB   GLU  23          HB3       GLU  23 -14.234  -5.931   6.563
  173   1HG   GLU  23          HG2       GLU  23 -14.215  -5.275   8.960
  174   2HG   GLU  23          HG3       GLU  23 -14.616  -3.615   8.505
  175    H    LYS  24           H        LYS  24 -11.686  -4.202   9.191
  176    HA   LYS  24           HA       LYS  24  -9.482  -5.888   9.172
  177   1HB   LYS  24          HB2       LYS  24 -10.046  -4.249  10.945
  178   2HB   LYS  24          HB3       LYS  24 -11.362  -5.287  11.495
  179   1HG   LYS  24          HG2       LYS  24  -9.753  -7.065  12.079
  180   2HG   LYS  24          HG3       LYS  24  -8.408  -6.081  11.502
  181   1HD   LYS  24          HD2       LYS  24 -10.318  -5.176  13.697
  182   2HD   LYS  24          HD3       LYS  24  -8.900  -6.142  14.054
  183   1HE   LYS  24          HE2       LYS  24  -8.655  -3.494  12.557
  184   2HE   LYS  24          HE3       LYS  24  -8.774  -3.561  14.316
  185   1HZ   LYS  24          HZ1       LYS  24  -6.802  -5.008  14.313
  186   2HZ   LYS  24          HZ2       LYS  24  -6.645  -4.808  12.686
  187   3HZ   LYS  24          HZ3       LYS  24  -6.496  -3.535  13.692
  188    H    GLY  25           H        GLY  25  -9.214  -8.027   8.925
  189   1HA   GLY  25          HA2       GLY  25  -9.551 -10.277   9.367
  190   2HA   GLY  25          HA3       GLY  25 -11.137  -9.938  10.051
  191    H    GLN  26           H        GLN  26 -11.101  -8.384   7.003
  192    HA   GLN  26           HA       GLN  26 -12.675 -10.477   5.715
  193   1HB   GLN  26          HB2       GLN  26 -12.982  -7.953   5.358
  194   2HB   GLN  26          HB3       GLN  26 -11.413  -7.956   4.544
  195   1HG   GLN  26          HG2       GLN  26 -12.611  -9.913   3.093
  196   2HG   GLN  26          HG3       GLN  26 -14.059  -9.104   3.659
  197   1HE2  GLN  26          HE22      GLN  26 -11.340  -9.006   1.473
  198   2HE2  GLN  26          HE21      GLN  26 -11.754  -7.486   0.695
  199    H    GLU  27           H        GLU  27 -11.826 -11.885   4.123
  200    HA   GLU  27           HA       GLU  27  -8.989 -12.389   3.975
  201   1HB   GLU  27          HB2       GLU  27 -10.817 -14.052   3.629
  202   2HB   GLU  27          HB3       GLU  27 -11.227 -13.258   2.103
  203   1HG   GLU  27          HG2       GLU  27  -9.022 -13.820   1.186
  204   2HG   GLU  27          HG3       GLU  27  -8.489 -14.436   2.754
  205    H    VAL  28           H        VAL  28  -7.467 -11.423   2.714
  206    HA   VAL  28           HA       VAL  28  -8.344  -9.802   0.388
  207    HB   VAL  28           HB       VAL  28  -6.429  -8.313   0.905
  208   1HG1  VAL  28          HG11      VAL  28  -7.524  -7.067   2.662
  209   2HG1  VAL  28          HG12      VAL  28  -8.788  -7.809   1.662
  210   3HG1  VAL  28          HG13      VAL  28  -8.391  -8.510   3.230
  211   1HG2  VAL  28          HG21      VAL  28  -5.403  -8.297   3.125
  212   2HG2  VAL  28          HG22      VAL  28  -6.318  -9.733   3.600
  213   3HG2  VAL  28          HG23      VAL  28  -5.065  -9.848   2.341
  214    H    ALA  29           H        ALA  29  -6.163 -12.366   1.571
  215    HA   ALA  29           HA       ALA  29  -5.672 -13.030  -1.197
  216   1HB   ALA  29          HB1       ALA  29  -3.270 -12.252   0.537
  217   2HB   ALA  29          HB2       ALA  29  -3.188 -13.060  -1.025
  218   3HB   ALA  29          HB3       ALA  29  -3.822 -11.413  -0.925
  219    H    ILE  30           H        ILE  30  -4.160 -15.044  -1.247
  220    HA   ILE  30           HA       ILE  30  -4.194 -16.562   1.292
  221    HB   ILE  30           HB       ILE  30  -5.076 -17.832  -1.336
  222   1HG1  ILE  30          HG12      ILE  30  -6.792 -17.150   1.096
  223   2HG1  ILE  30          HG13      ILE  30  -6.893 -16.399  -0.499
  224   1HG2  ILE  30          HG21      ILE  30  -3.820 -19.341   0.147
  225   2HG2  ILE  30          HG22      ILE  30  -4.859 -18.909   1.520
  226   3HG2  ILE  30          HG23      ILE  30  -5.493 -19.826   0.127
  227   1HD1  ILE  30          HD11      ILE  30  -7.404 -18.709  -1.449
  228   2HD1  ILE  30          HD12      ILE  30  -7.655 -19.237   0.231
  229   3HD1  ILE  30          HD13      ILE  30  -8.663 -17.949  -0.447
  230    H    LEU  31           H        LEU  31  -2.336 -17.700   1.538
  231    HA   LEU  31           HA       LEU  31  -0.271 -17.592  -0.605
  232   1HB   LEU  31          HB2       LEU  31  -0.159 -18.366   2.318
  233   2HB   LEU  31          HB3       LEU  31   1.218 -18.423   1.251
  234    HG   LEU  31           HG       LEU  31  -0.307 -15.940   2.065
  235   1HD1  LEU  31          HD11      LEU  31   1.617 -15.383   3.369
  236   2HD1  LEU  31          HD12      LEU  31   1.181 -17.022   3.790
  237   3HD1  LEU  31          HD13      LEU  31   2.559 -16.747   2.703
  238   1HD2  LEU  31          HD21      LEU  31   2.066 -16.195   0.210
  239   2HD2  LEU  31          HD22      LEU  31   0.455 -15.543  -0.175
  240   3HD2  LEU  31          HD23      LEU  31   1.497 -14.665   0.937
  241    H    GLU  32           H        GLU  32   0.221 -19.323  -1.602
  242    HA   GLU  32           HA       GLU  32  -0.150 -22.029  -0.475
  243   1HB   GLU  32          HB2       GLU  32  -0.437 -22.026  -2.877
  244   2HB   GLU  32          HB3       GLU  32   0.890 -20.904  -3.128
  245   1HG   GLU  32          HG2       GLU  32   1.593 -23.540  -1.850
  246   2HG   GLU  32          HG3       GLU  32   1.043 -23.572  -3.518
  247    H    SER  33           H        SER  33   1.627 -22.805   0.561
  248    HA   SER  33           HA       SER  33   4.172 -21.270   0.539
  249   1HB   SER  33          HB2       SER  33   2.321 -21.855   2.853
  250   2HB   SER  33          HB3       SER  33   4.076 -21.835   3.107
  251    HG   SER  33           HG       SER  33   4.158 -19.746   2.434
  252    H    MET  34           H        MET  34   4.664 -23.014  -0.927
  253    HA   MET  34           HA       MET  34   5.585 -25.019  -1.438
  254   1HB   MET  34          HB2       MET  34   6.787 -24.700   1.345
  255   2HB   MET  34          HB3       MET  34   7.394 -25.739   0.054
  256   1HG   MET  34          HG2       MET  34   8.760 -23.874  -0.076
  257   2HG   MET  34          HG3       MET  34   7.612 -23.649  -1.389
  258   1HE   MET  34          HE1       MET  34   9.489 -21.318  -0.561
  259   2HE   MET  34          HE2       MET  34   8.189 -21.153  -1.765
  260   3HE   MET  34          HE3       MET  34   8.356 -19.952  -0.466
  261    H    LYS  35           H        BTL  35   3.100 -25.459  -0.975
  262    HA   LYS  35           HA       BTL  35   1.632 -27.061  -0.904
  263   1HB   LYS  35          HB2       BTL  35   3.684 -28.978   0.268
  264   2HB   LYS  35          HB3       BTL  35   2.053 -29.373  -0.221
  265   1HG   LYS  35          HG2       BTL  35   3.196 -30.072  -2.037
  266   2HG   LYS  35          HG3       BTL  35   2.638 -28.484  -2.552
  267   1HD   LYS  35          HD2       BTL  35   4.914 -27.559  -2.126
  268   2HD   LYS  35          HD3       BTL  35   5.427 -29.134  -1.492
  269   1HE   LYS  35          HE2       BTL  35   6.252 -28.971  -3.717
  270   2HE   LYS  35          HE3       BTL  35   4.890 -30.102  -3.785
  271   1HZ   LYS  35          HZ1       BTL  35   4.757 -27.200  -4.511
  272    H    MET  36           H        MET  36   2.203 -25.119   1.359
  273    HA   MET  36           HA       MET  36   0.186 -26.291   3.207
  274   1HB   MET  36          HB2       MET  36   2.251 -24.142   3.872
  275   2HB   MET  36          HB3       MET  36   1.058 -24.850   4.951
  276   1HG   MET  36          HG2       MET  36   2.120 -27.051   4.779
  277   2HG   MET  36          HG3       MET  36   3.328 -26.416   3.661
  278   1HE   MET  36          HE1       MET  36   5.663 -24.249   5.807
  279   2HE   MET  36          HE2       MET  36   5.374 -25.045   4.244
  280   3HE   MET  36          HE3       MET  36   4.340 -23.696   4.759
  281    H    GLU  37           H        GLU  37  -1.158 -24.406   4.152
  282    HA   GLU  37           HA       GLU  37  -1.828 -22.468   1.998
  283   1HB   GLU  37          HB2       GLU  37  -4.199 -23.039   2.401
  284   2HB   GLU  37          HB3       GLU  37  -3.259 -24.350   1.671
  285   1HG   GLU  37          HG2       GLU  37  -3.143 -25.465   3.915
  286   2HG   GLU  37          HG3       GLU  37  -4.157 -24.182   4.579
  287    H    ILE  38           H        ILE  38  -2.199 -20.431   2.762
  288    HA   ILE  38           HA       ILE  38  -2.745 -20.098   5.673
  289    HB   ILE  38           HB       ILE  38  -0.574 -18.504   4.308
  290   1HG1  ILE  38          HG12      ILE  38  -0.145 -20.974   6.034
  291   2HG1  ILE  38          HG13      ILE  38   0.170 -20.869   4.296
  292   1HG2  ILE  38          HG21      ILE  38  -0.001 -17.835   6.563
  293   2HG2  ILE  38          HG22      ILE  38  -1.714 -17.548   6.310
  294   3HG2  ILE  38          HG23      ILE  38  -1.194 -18.965   7.246
  295   1HD1  ILE  38          HD11      ILE  38   1.672 -19.381   6.450
  296   2HD1  ILE  38          HD12      ILE  38   2.246 -20.681   5.387
  297   3HD1  ILE  38          HD13      ILE  38   1.845 -19.101   4.695
  298    HA   PRO  39           HA       PRO  39  -5.624 -17.208   3.528
  299   1HB   PRO  39          HB2       PRO  39  -6.435 -16.806   6.405
  300   2HB   PRO  39          HB3       PRO  39  -7.467 -17.062   4.972
  301   1HG   PRO  39          HG2       PRO  39  -7.045 -19.079   6.768
  302   2HG   PRO  39          HG3       PRO  39  -7.120 -19.408   5.007
  303   1HD   PRO  39          HD2       PRO  39  -4.667 -19.132   6.759
  304   2HD   PRO  39          HD3       PRO  39  -5.008 -20.322   5.464
  305    H    ILE  40           H        ILE  40  -5.446 -14.914   3.420
  306    HA   ILE  40           HA       ILE  40  -3.806 -13.563   5.502
  307    HB   ILE  40           HB       ILE  40  -3.782 -12.833   2.569
  308   1HG1  ILE  40          HG12      ILE  40  -2.812 -15.075   2.660
  309   2HG1  ILE  40          HG13      ILE  40  -1.616 -13.869   2.262
  310   1HG2  ILE  40          HG21      ILE  40  -2.012 -12.057   4.925
  311   2HG2  ILE  40          HG22      ILE  40  -1.679 -11.628   3.239
  312   3HG2  ILE  40          HG23      ILE  40  -3.139 -11.020   4.032
  313   1HD1  ILE  40          HD11      ILE  40  -0.410 -14.211   4.176
  314   2HD1  ILE  40          HD12      ILE  40  -1.820 -14.580   5.180
  315   3HD1  ILE  40          HD13      ILE  40  -1.193 -15.810   4.087
  316    H    VAL  41           H        VAL  41  -5.031 -12.160   6.496
  317    HA   VAL  41           HA       VAL  41  -7.502 -11.172   5.196
  318    HB   VAL  41           HB       VAL  41  -8.336 -11.081   7.612
  319   1HG1  VAL  41          HG11      VAL  41  -7.905 -13.765   6.218
  320   2HG1  VAL  41          HG12      VAL  41  -8.989 -13.522   7.605
  321   3HG1  VAL  41          HG13      VAL  41  -9.310 -12.680   6.103
  322   1HG2  VAL  41          HG21      VAL  41  -6.253 -13.294   8.054
  323   2HG2  VAL  41          HG22      VAL  41  -6.059 -11.626   8.681
  324   3HG2  VAL  41          HG23      VAL  41  -7.405 -12.638   9.226
  325    H    ALA  42           H        ALA  42  -8.209  -9.095   5.831
  326    HA   ALA  42           HA       ALA  42  -6.212  -7.139   5.597
  327   1HB   ALA  42          HB1       ALA  42  -9.078  -6.900   6.588
  328   2HB   ALA  42          HB2       ALA  42  -8.085  -5.556   6.010
  329   3HB   ALA  42          HB3       ALA  42  -8.586  -6.844   4.890
  330    H    ASP  43           H        ASP  43  -4.816  -6.529   7.080
  331    HA   ASP  43           HA       ASP  43  -4.856  -6.950   9.856
  332   1HB   ASP  43          HB2       ASP  43  -2.841  -6.236   8.660
  333   2HB   ASP  43          HB3       ASP  43  -3.580  -4.672   8.293
  334    H    ARG  44           H        ARG  44  -6.452  -4.358   8.007
  335    HA   ARG  44           HA       ARG  44  -7.921  -3.465  10.356
  336   1HB   ARG  44          HB2       ARG  44  -7.118  -1.147  10.257
  337   2HB   ARG  44          HB3       ARG  44  -5.789  -2.253  10.576
  338   1HG   ARG  44          HG2       ARG  44  -5.635  -2.092   7.828
  339   2HG   ARG  44          HG3       ARG  44  -6.307  -0.509   8.196
  340   1HD   ARG  44          HD2       ARG  44  -3.744  -1.746   9.271
  341   2HD   ARG  44          HD3       ARG  44  -3.855  -0.466   8.075
  342    HE   ARG  44           HE       ARG  44  -4.609   1.076   9.723
  343   1HH1  ARG  44          HH21      ARG  44  -3.365  -1.999  11.140
  344   2HH1  ARG  44          HH22      ARG  44  -3.067  -1.266  12.678
  345   1HH2  ARG  44          HH11      ARG  44  -4.215   1.963  11.754
  346   2HH2  ARG  44          HH12      ARG  44  -3.565   1.017  13.041
  347    H    SER  45           H        SER  45  -9.666  -1.962   9.731
  348    HA   SER  45           HA       SER  45 -10.717  -2.414   7.082
  349   1HB   SER  45          HB2       SER  45 -11.549  -0.390   9.210
  350   2HB   SER  45          HB3       SER  45 -12.549  -1.017   7.883
  351    HG   SER  45           HG       SER  45 -12.885  -2.029   9.981
  352    H    GLY  46           H        GLY  46 -10.900  -0.867   5.362
  353   1HA   GLY  46          HA2       GLY  46 -10.199   1.837   5.436
  354   2HA   GLY  46          HA3       GLY  46  -8.686   0.964   5.145
  355    H    ILE  47           H        ILE  47  -9.195   2.470   3.102
  356    HA   ILE  47           HA       ILE  47 -10.450   0.699   1.050
  357    HB   ILE  47           HB       ILE  47  -9.886   3.691   0.963
  358   1HG1  ILE  47          HG12      ILE  47 -12.457   2.032   0.956
  359   2HG1  ILE  47          HG13      ILE  47 -11.901   3.098   2.246
  360   1HG2  ILE  47          HG21      ILE  47 -11.002   1.860  -1.208
  361   2HG2  ILE  47          HG22      ILE  47 -10.825   3.627  -1.325
  362   3HG2  ILE  47          HG23      ILE  47  -9.395   2.622  -1.230
  363   1HD1  ILE  47          HD11      ILE  47 -13.645   4.230   1.090
  364   2HD1  ILE  47          HD12      ILE  47 -12.130   5.046   0.653
  365   3HD1  ILE  47          HD13      ILE  47 -12.919   3.924  -0.490
  366    H    VAL  48           H        VAL  48  -9.083  -0.205  -0.385
  367    HA   VAL  48           HA       VAL  48  -6.270  -0.275   0.180
  368    HB   VAL  48           HB       VAL  48  -7.912  -1.231  -2.188
  369   1HG1  VAL  48          HG11      VAL  48  -5.526  -1.060  -2.835
  370   2HG1  VAL  48          HG12      VAL  48  -5.048  -1.932  -1.372
  371   3HG1  VAL  48          HG13      VAL  48  -5.991  -2.748  -2.647
  372   1HG2  VAL  48          HG21      VAL  48  -6.853  -2.748   0.236
  373   2HG2  VAL  48          HG22      VAL  48  -8.549  -2.318  -0.041
  374   3HG2  VAL  48          HG23      VAL  48  -7.755  -3.448  -1.128
  375    H    LYS  49           H        LYS  49  -4.701   1.027  -0.534
  376    HA   LYS  49           HA       LYS  49  -5.334   3.164  -2.493
  377   1HB   LYS  49          HB2       LYS  49  -4.317   3.702  -0.263
  378   2HB   LYS  49          HB3       LYS  49  -2.902   2.743  -0.706
  379   1HG   LYS  49          HG2       LYS  49  -2.764   4.325  -2.790
  380   2HG   LYS  49          HG3       LYS  49  -3.918   5.340  -1.916
  381   1HD   LYS  49          HD2       LYS  49  -1.140   4.469  -1.019
  382   2HD   LYS  49          HD3       LYS  49  -1.615   6.094  -1.531
  383   1HE   LYS  49          HE2       LYS  49  -3.102   6.295   0.447
  384   2HE   LYS  49          HE3       LYS  49  -2.672   4.653   0.951
  385   1HZ   LYS  49          HZ1       LYS  49  -0.798   6.921   0.769
  386   2HZ   LYS  49          HZ2       LYS  49  -1.390   6.260   2.141
  387   3HZ   LYS  49          HZ3       LYS  49  -0.367   5.383   1.156
  388    H    GLU  50           H        GLU  50  -3.125   0.304  -1.893
  389    HA   GLU  50           HA       GLU  50  -2.918  -0.003  -4.787
  390   1HB   GLU  50          HB2       GLU  50  -1.067   1.624  -4.193
  391   2HB   GLU  50          HB3       GLU  50  -0.421   0.419  -3.074
  392   1HG   GLU  50          HG2       GLU  50   0.826   0.514  -5.184
  393   2HG   GLU  50          HG3       GLU  50   0.151  -1.073  -4.883
  394    H    VAL  51           H        VAL  51  -2.066  -2.101  -5.341
  395    HA   VAL  51           HA       VAL  51  -1.846  -4.051  -3.087
  396    HB   VAL  51           HB       VAL  51  -2.563  -4.800  -5.941
  397   1HG1  VAL  51          HG11      VAL  51  -3.081  -6.216  -3.285
  398   2HG1  VAL  51          HG12      VAL  51  -3.333  -6.862  -4.918
  399   3HG1  VAL  51          HG13      VAL  51  -1.695  -6.544  -4.329
  400   1HG2  VAL  51          HG21      VAL  51  -4.422  -3.356  -5.270
  401   2HG2  VAL  51          HG22      VAL  51  -4.924  -5.049  -5.252
  402   3HG2  VAL  51          HG23      VAL  51  -4.567  -4.224  -3.725
  403    H    LYS  52           H        LYS  52   0.264  -4.637  -2.813
  404    HA   LYS  52           HA       LYS  52   2.221  -3.553  -4.700
  405   1HB   LYS  52          HB2       LYS  52   2.563  -5.128  -2.105
  406   2HB   LYS  52          HB3       LYS  52   3.827  -4.259  -2.964
  407   1HG   LYS  52          HG2       LYS  52   1.379  -2.947  -1.695
  408   2HG   LYS  52          HG3       LYS  52   2.979  -3.040  -0.977
  409   1HD   LYS  52          HD2       LYS  52   3.940  -1.694  -2.801
  410   2HD   LYS  52          HD3       LYS  52   2.340  -1.587  -3.582
  411   1HE   LYS  52          HE2       LYS  52   1.407  -0.458  -1.650
  412   2HE   LYS  52          HE3       LYS  52   2.914  -0.646  -0.745
  413   1HZ   LYS  52          HZ1       LYS  52   3.985   0.852  -2.289
  414   2HZ   LYS  52          HZ2       LYS  52   2.629   0.997  -3.197
  415   3HZ   LYS  52          HZ3       LYS  52   2.650   1.567  -1.658
  416    H    LYS  53           H        LYS  53   0.484  -6.357  -4.829
  417    HA   LYS  53           HA       LYS  53   2.497  -7.902  -6.297
  418   1HB   LYS  53          HB2       LYS  53   1.016  -8.968  -3.847
  419   2HB   LYS  53          HB3       LYS  53   1.970  -9.939  -4.974
  420   1HG   LYS  53          HG2       LYS  53   3.219  -7.755  -3.268
  421   2HG   LYS  53          HG3       LYS  53   3.048  -9.433  -2.766
  422   1HD   LYS  53          HD2       LYS  53   4.314 -10.207  -4.720
  423   2HD   LYS  53          HD3       LYS  53   4.550  -8.524  -5.264
  424   1HE   LYS  53          HE2       LYS  53   5.874  -8.001  -3.341
  425   2HE   LYS  53          HE3       LYS  53   5.356  -9.459  -2.500
  426   1HZ   LYS  53          HZ1       LYS  53   7.208  -9.363  -4.795
  427   2HZ   LYS  53          HZ2       LYS  53   7.491  -9.833  -3.229
  428   3HZ   LYS  53          HZ3       LYS  53   6.574 -10.767  -4.189
  429    H    LYS  54           H        LYS  54   1.139 -10.099  -6.891
  430    HA   LYS  54           HA       LYS  54  -1.717  -9.614  -7.249
  431   1HB   LYS  54          HB2       LYS  54  -1.640 -10.157  -9.660
  432   2HB   LYS  54          HB3       LYS  54  -0.876  -8.615  -9.307
  433   1HG   LYS  54          HG2       LYS  54   1.345  -9.534  -9.551
  434   2HG   LYS  54          HG3       LYS  54   0.741 -11.187  -9.646
  435   1HD   LYS  54          HD2       LYS  54   0.121  -9.017 -11.694
  436   2HD   LYS  54          HD3       LYS  54   1.437 -10.196 -11.833
  437   1HE   LYS  54          HE2       LYS  54  -0.220 -12.059 -11.708
  438   2HE   LYS  54          HE3       LYS  54  -1.534 -10.877 -11.650
  439   1HZ   LYS  54          HZ1       LYS  54  -0.848 -10.104 -13.847
  440   2HZ   LYS  54          HZ2       LYS  54   0.363 -11.200 -13.903
  441   3HZ   LYS  54          HZ3       LYS  54  -1.188 -11.695 -13.888
  442    H    GLU  55           H        GLU  55  -2.724 -11.696  -8.145
  443    HA   GLU  55           HA       GLU  55  -1.903 -14.034  -6.858
  444   1HB   GLU  55          HB2       GLU  55  -3.238 -13.945  -9.611
  445   2HB   GLU  55          HB3       GLU  55  -3.224 -15.282  -8.468
  446   1HG   GLU  55          HG2       GLU  55  -5.268 -14.508  -7.932
  447   2HG   GLU  55          HG3       GLU  55  -4.343 -13.473  -6.863
  448    H    GLY  56           H        GLY  56  -0.477 -15.619  -7.249
  449   1HA   GLY  56          HA2       GLY  56   1.025 -16.965  -8.327
  450   2HA   GLY  56          HA3       GLY  56   0.874 -15.996  -9.800
  451    H    ASP  57           H        ASP  57   1.529 -13.744  -7.305
  452    HA   ASP  57           HA       ASP  57   4.295 -13.559  -8.242
  453   1HB   ASP  57          HB2       ASP  57   2.648 -11.611  -7.547
  454   2HB   ASP  57          HB3       ASP  57   3.243 -11.950  -5.932
  455    H    PHE  58           H        PHE  58   6.105 -13.530  -6.722
  456    HA   PHE  58           HA       PHE  58   5.979 -15.769  -4.762
  457   1HB   PHE  58          HB2       PHE  58   7.794 -15.795  -6.440
  458   2HB   PHE  58          HB3       PHE  58   8.292 -14.182  -5.949
  459    HD1  PHE  58           HD1      PHE  58   7.988 -17.719  -4.755
  460    HD2  PHE  58           HD2      PHE  58   9.749 -13.842  -4.057
  461    HE1  PHE  58           HE1      PHE  58   9.459 -18.698  -3.015
  462    HE2  PHE  58           HE2      PHE  58  11.217 -14.828  -2.317
  463    HZ   PHE  58           HZ       PHE  58  11.086 -17.258  -1.802
  464    H    VAL  59           H        VAL  59   6.458 -15.359  -2.557
  465    HA   VAL  59           HA       VAL  59   6.861 -12.576  -1.681
  466    HB   VAL  59           HB       VAL  59   4.894 -12.835  -0.143
  467   1HG1  VAL  59          HG11      VAL  59   4.123 -12.688  -3.076
  468   2HG1  VAL  59          HG12      VAL  59   3.238 -12.034  -1.692
  469   3HG1  VAL  59          HG13      VAL  59   4.822 -11.369  -2.100
  470   1HG2  VAL  59          HG21      VAL  59   3.038 -14.293  -0.793
  471   2HG2  VAL  59          HG22      VAL  59   3.993 -15.016  -2.085
  472   3HG2  VAL  59          HG23      VAL  59   4.460 -15.267  -0.383
  473    H    ASN  60           H        ASN  60   7.166 -12.473   0.720
  474    HA   ASN  60           HA       ASN  60   7.910 -14.963   1.988
  475   1HB   ASN  60          HB2       ASN  60   9.925 -13.436   0.582
  476   2HB   ASN  60          HB3       ASN  60  10.201 -13.217   2.304
  477   1HD2  ASN  60          HD22      ASN  60   9.266 -15.883   0.024
  478   2HD2  ASN  60          HD21      ASN  60  10.346 -17.069   0.725
  479    H    GLU  61           H        GLU  61   8.768 -14.555   4.233
  480    HA   GLU  61           HA       GLU  61   6.903 -12.989   5.679
  481   1HB   GLU  61          HB2       GLU  61   8.233 -14.938   6.537
  482   2HB   GLU  61          HB3       GLU  61   9.689 -13.938   6.504
  483   1HG   GLU  61          HG2       GLU  61   8.499 -12.344   8.103
  484   2HG   GLU  61          HG3       GLU  61   7.196 -13.526   8.200
  485    H    GLY  62           H        GLY  62   6.697 -10.836   5.731
  486   1HA   GLY  62          HA2       GLY  62   7.366  -8.703   6.362
  487   2HA   GLY  62          HA3       GLY  62   9.061  -9.098   6.051
  488    H    ASP  63           H        ASP  63   7.408 -10.264   3.338
  489    HA   ASP  63           HA       ASP  63   8.160  -7.958   1.710
  490   1HB   ASP  63          HB2       ASP  63   8.374 -10.427   1.049
  491   2HB   ASP  63          HB3       ASP  63   6.617 -10.445   0.882
  492    H    VAL  64           H        VAL  64   6.575  -6.705   0.564
  493    HA   VAL  64           HA       VAL  64   4.278  -6.109   2.278
  494    HB   VAL  64           HB       VAL  64   4.015  -4.193   0.671
  495   1HG1  VAL  64          HG11      VAL  64   6.717  -4.453   2.044
  496   2HG1  VAL  64          HG12      VAL  64   5.908  -2.940   1.579
  497   3HG1  VAL  64          HG13      VAL  64   5.184  -3.987   2.811
  498   1HG2  VAL  64          HG21      VAL  64   5.227  -5.249  -1.294
  499   2HG2  VAL  64          HG22      VAL  64   5.757  -3.608  -0.886
  500   3HG2  VAL  64          HG23      VAL  64   6.749  -4.999  -0.421
  501    H    LEU  65           H        LEU  65   2.096  -5.857   1.515
  502    HA   LEU  65           HA       LEU  65   1.410  -7.435  -0.935
  503   1HB   LEU  65          HB2       LEU  65   0.999  -8.817   1.078
  504   2HB   LEU  65          HB3       LEU  65   0.073  -7.517   1.802
  505    HG   LEU  65           HG       LEU  65  -1.661  -7.729   0.042
  506   1HD1  LEU  65          HD11      LEU  65  -0.352  -8.571  -1.854
  507   2HD1  LEU  65          HD12      LEU  65   0.034 -10.059  -0.957
  508   3HD1  LEU  65          HD13      LEU  65  -1.634  -9.715  -1.464
  509   1HD2  LEU  65          HD21      LEU  65  -0.979 -10.367   1.382
  510   2HD2  LEU  65          HD22      LEU  65  -1.815  -9.000   2.156
  511   3HD2  LEU  65          HD23      LEU  65  -2.580  -9.845   0.805
  512    H    LEU  66           H        LEU  66   0.310  -4.894   1.445
  513    HA   LEU  66           HA       LEU  66  -1.408  -3.759  -0.689
  514   1HB   LEU  66          HB2       LEU  66  -2.379  -5.648   1.021
  515   2HB   LEU  66          HB3       LEU  66  -2.459  -4.264   2.096
  516    HG   LEU  66           HG       LEU  66  -4.037  -3.148   0.591
  517   1HD1  LEU  66          HD11      LEU  66  -3.393  -3.917  -1.594
  518   2HD1  LEU  66          HD12      LEU  66  -3.603  -5.618  -1.136
  519   3HD1  LEU  66          HD13      LEU  66  -5.009  -4.533  -1.306
  520   1HD2  LEU  66          HD21      LEU  66  -4.732  -6.083   1.156
  521   2HD2  LEU  66          HD22      LEU  66  -4.856  -4.758   2.325
  522   3HD2  LEU  66          HD23      LEU  66  -5.898  -4.776   0.895
  523    H    GLU  67           H        GLU  67  -1.729  -1.565  -0.429
  524    HA   GLU  67           HA       GLU  67  -0.810  -0.289   2.094
  525   1HB   GLU  67          HB2       GLU  67   0.739   0.170   0.153
  526   2HB   GLU  67          HB3       GLU  67  -0.609   0.992  -0.658
  527   1HG   GLU  67          HG2       GLU  67  -0.788   2.482   1.389
  528   2HG   GLU  67          HG3       GLU  67   0.652   1.682   2.034
  529    H    LEU  68           H        LEU  68  -2.254   1.267   2.830
  530    HA   LEU  68           HA       LEU  68  -4.963   1.208   1.562
  531   1HB   LEU  68          HB2       LEU  68  -4.299   1.142   4.532
  532   2HB   LEU  68          HB3       LEU  68  -5.891   0.996   3.794
  533    HG   LEU  68           HG       LEU  68  -3.641  -1.056   3.636
  534   1HD1  LEU  68          HD11      LEU  68  -4.688  -0.884   5.854
  535   2HD1  LEU  68          HD12      LEU  68  -6.292  -1.143   5.131
  536   3HD1  LEU  68          HD13      LEU  68  -5.060  -2.427   5.072
  537   1HD2  LEU  68          HD21      LEU  68  -6.478  -1.159   2.525
  538   2HD2  LEU  68          HD22      LEU  68  -4.950  -1.203   1.605
  539   3HD2  LEU  68          HD23      LEU  68  -5.367  -2.542   2.654
  540    H    SER  69           H        SER  69  -6.193   3.166   1.860
  541    HA   SER  69           HA       SER  69  -4.719   5.587   2.349
  542   1HB   SER  69          HB2       SER  69  -7.721   5.118   2.384
  543   2HB   SER  69          HB3       SER  69  -6.873   6.662   2.130
  544    HG   SER  69           HG       SER  69  -7.511   5.719   0.153
  545    H    ASN  70           H        ASN  70  -6.408   3.327   4.458
  546    HA   ASN  70           HA       ASN  70  -6.801   4.769   6.812
  547   1HB   ASN  70          HB2       ASN  70  -7.413   2.413   6.559
  548   2HB   ASN  70          HB3       ASN  70  -5.719   1.933   6.468
  549   1HD2  ASN  70          HD22      ASN  70  -8.242   1.757   8.540
  550   2HD2  ASN  70          HD21      ASN  70  -7.426   1.978  10.067
  551    H    SER  71           H        SER  71  -3.757   3.363   5.554
  552    HA   SER  71           HA       SER  71  -2.189   3.751   7.772
  553   1HB   SER  71          HB2       SER  71  -0.741   4.035   5.203
  554   2HB   SER  71          HB3       SER  71  -0.550   2.847   6.494
  555    HG   SER  71           HG       SER  71  -2.316   2.886   4.284
  556    H    THR  72           H        THR  72  -3.254   6.209   5.542
  557    HA   THR  72           HA       THR  72  -1.239   8.150   6.543
  558    HB   THR  72           HB       THR  72  -1.494   9.059   4.103
  559    HG1  THR  72           HG1      THR  72  -3.154   7.675   3.426
  560   1HG2  THR  72          HG21      THR  72   0.315   7.649   3.327
  561   2HG2  THR  72          HG22      THR  72   0.557   7.997   5.042
  562   3HG2  THR  72          HG23      THR  72  -0.061   6.406   4.545
  563    H    GLN  73           H        GLN  73  -4.095   7.548   7.395
  564    HA   GLN  73           HA       GLN  73  -5.766   9.786   6.817
  565   1HB   GLN  73          HB2       GLN  73  -5.414   8.054   9.299
  566   2HB   GLN  73          HB3       GLN  73  -6.637   9.319   9.179
  567   1HG   GLN  73          HG2       GLN  73  -7.761   8.221   7.356
  568   2HG   GLN  73          HG3       GLN  73  -6.469   7.038   7.178
  569   1HE2  GLN  73          HE22      GLN  73  -6.034   5.586   9.110
  570   2HE2  GLN  73          HE21      GLN  73  -7.407   5.097  10.091
  571    HN3  BTI 135           HN3      BTL  35  -4.498 -25.717  -1.559
  572    HN2  BTI 135           HN2      BTL  35  -2.693 -25.342  -5.125
  573    H4   BTI 135           H4       BTL  35  -1.461 -23.995  -3.348
  574    H2   BTI 135           H2       BTL  35   0.279 -25.515  -2.823
  575    H62  BTI 135           H62      BTL  35  -0.900 -25.976  -0.517
  576    H63  BTI 135           H63      BTL  35  -2.388 -26.954  -0.493
  577    H5   BTI 135           H5       BTL  35  -2.416 -24.336  -1.251
  578    H72  BTI 135           H72      BTL  35  -0.819 -26.943  -5.256
  579    H73  BTI 135           H73      BTL  35  -0.156 -25.297  -5.336
  580    H82  BTI 135           H82      BTL  35   1.994 -26.040  -4.490
  581    H83  BTI 135           H83      BTL  35   1.370 -27.682  -4.229
  582    H92  BTI 135           H92      BTL  35   1.114 -28.077  -6.576
  583    H93  BTI 135           H93      BTL  35   1.391 -26.373  -6.974
  584   H102  BTI 135          H102      BTL  35   3.363 -27.737  -7.503
  585   H103  BTI 135          H103      BTL  35   3.717 -26.528  -6.274
  Start of MODEL   11
    1   1H    THR   2           H1       THR   2   1.923  -0.682   3.604
    2   2H    THR   2           H2       THR   2   2.509  -2.154   4.073
    3   3H    THR   2           H3       THR   2   1.205  -2.056   3.067
    4    HA   THR   2           HA       THR   2   1.345  -1.157   5.848
    5    HB   THR   2           HB       THR   2  -1.127  -1.098   4.096
    6    HG1  THR   2           HG1      THR   2  -0.588   1.256   4.314
    7   1HG2  THR   2          HG21      THR   2  -1.479  -1.172   6.588
    8   2HG2  THR   2          HG22      THR   2  -0.485   0.297   6.732
    9   3HG2  THR   2          HG23      THR   2  -2.025   0.336   5.842
   10    H    VAL   3           H        VAL   3  -0.864  -3.313   3.847
   11    HA   VAL   3           HA       VAL   3  -0.685  -5.305   6.036
   12    HB   VAL   3           HB       VAL   3  -2.166  -5.735   3.432
   13   1HG1  VAL   3          HG11      VAL   3  -2.634  -6.704   6.282
   14   2HG1  VAL   3          HG12      VAL   3  -3.584  -7.163   4.853
   15   3HG1  VAL   3          HG13      VAL   3  -1.890  -7.650   4.972
   16   1HG2  VAL   3          HG21      VAL   3  -3.291  -4.278   5.873
   17   2HG2  VAL   3          HG22      VAL   3  -3.118  -3.601   4.240
   18   3HG2  VAL   3          HG23      VAL   3  -4.257  -4.917   4.522
   19    H    SER   4           H        SER   4   0.507  -7.240   5.701
   20    HA   SER   4           HA       SER   4   2.186  -7.449   3.270
   21   1HB   SER   4          HB2       SER   4   3.218  -7.261   6.134
   22   2HB   SER   4          HB3       SER   4   4.207  -7.573   4.707
   23    HG   SER   4           HG       SER   4   4.207  -5.352   5.399
   24    H    ILE   5           H        ILE   5   3.445  -9.434   3.326
   25    HA   ILE   5           HA       ILE   5   1.770 -11.697   4.061
   26    HB   ILE   5           HB       ILE   5   4.412 -11.402   2.552
   27   1HG1  ILE   5          HG12      ILE   5   2.747 -10.246   1.294
   28   2HG1  ILE   5          HG13      ILE   5   2.973 -11.793   0.528
   29   1HG2  ILE   5          HG21      ILE   5   3.856 -13.677   1.629
   30   2HG2  ILE   5          HG22      ILE   5   4.258 -13.671   3.328
   31   3HG2  ILE   5          HG23      ILE   5   2.550 -13.774   2.813
   32   1HD1  ILE   5          HD11      ILE   5   0.878 -12.635   1.668
   33   2HD1  ILE   5          HD12      ILE   5   0.628 -10.975   2.265
   34   3HD1  ILE   5          HD13      ILE   5   0.640 -11.304   0.527
   35    H    GLN   6           H        GLN   6   2.551 -13.517   5.249
   36    HA   GLN   6           HA       GLN   6   4.447 -12.785   7.429
   37   1HB   GLN   6          HB2       GLN   6   2.850 -13.670   9.002
   38   2HB   GLN   6          HB3       GLN   6   2.083 -12.460   7.979
   39   1HG   GLN   6          HG2       GLN   6   1.209 -14.459   6.550
   40   2HG   GLN   6          HG3       GLN   6   1.748 -15.493   7.872
   41   1HE2  GLN   6          HE22      GLN   6  -0.331 -12.673   7.091
   42   2HE2  GLN   6          HE21      GLN   6  -1.508 -12.959   8.353
   43    H    MET   7           H        MET   7   4.270 -14.915   4.909
   44    HA   MET   7           HA       MET   7   6.070 -16.740   6.277
   45   1HB   MET   7          HB2       MET   7   3.320 -17.526   5.917
   46   2HB   MET   7          HB3       MET   7   4.257 -18.405   4.716
   47   1HG   MET   7          HG2       MET   7   4.792 -18.304   7.706
   48   2HG   MET   7          HG3       MET   7   4.060 -19.650   6.838
   49   1HE   MET   7          HE1       MET   7   5.329 -21.607   5.833
   50   2HE   MET   7          HE2       MET   7   5.522 -20.480   4.476
   51   3HE   MET   7          HE3       MET   7   6.913 -21.427   5.045
   52    H    ALA   8           H        ALA   8   7.147 -18.177   4.667
   53    HA   ALA   8           HA       ALA   8   7.762 -16.832   2.154
   54   1HB   ALA   8          HB1       ALA   8   9.247 -18.783   1.850
   55   2HB   ALA   8          HB2       ALA   8   9.507 -17.969   3.413
   56   3HB   ALA   8          HB3       ALA   8   8.598 -19.506   3.338
   57    H    GLY   9           H        GLY   9   6.794 -17.245   0.189
   58   1HA   GLY   9          HA2       GLY   9   5.410 -19.666  -0.432
   59   2HA   GLY   9          HA3       GLY   9   4.284 -18.549   0.338
   60    H    ASN  10           H        ASN  10   3.150 -18.775  -1.601
   61    HA   ASN  10           HA       ASN  10   3.961 -16.982  -3.828
   62   1HB   ASN  10          HB2       ASN  10   2.914 -19.848  -4.045
   63   2HB   ASN  10          HB3       ASN  10   3.102 -18.729  -5.393
   64   1HD2  ASN  10          HD21      ASN  10   4.756 -21.012  -3.299
   65   2HD2  ASN  10          HD22      ASN  10   6.363 -20.739  -3.936
   66    H    LEU  11           H        LEU  11   2.204 -15.798  -4.480
   67    HA   LEU  11           HA       LEU  11  -0.126 -15.817  -2.769
   68   1HB   LEU  11          HB2       LEU  11   0.959 -14.131  -5.006
   69   2HB   LEU  11          HB3       LEU  11  -0.743 -13.947  -4.621
   70    HG   LEU  11           HG       LEU  11   1.462 -13.737  -2.538
   71   1HD1  LEU  11          HD11      LEU  11   1.741 -12.021  -4.227
   72   2HD1  LEU  11          HD12      LEU  11   0.031 -11.550  -4.100
   73   3HD1  LEU  11          HD13      LEU  11   1.136 -11.291  -2.728
   74   1HD2  LEU  11          HD21      LEU  11  -0.777 -14.213  -1.560
   75   2HD2  LEU  11          HD22      LEU  11  -0.290 -12.555  -1.216
   76   3HD2  LEU  11          HD23      LEU  11  -1.461 -12.888  -2.507
   77    H    TRP  12           H        TRP  12  -0.945 -17.877  -3.126
   78    HA   TRP  12           HA       TRP  12  -1.868 -19.082  -5.451
   79   1HB   TRP  12          HB2       TRP  12  -1.797 -20.154  -3.318
   80   2HB   TRP  12          HB3       TRP  12  -2.900 -18.998  -2.605
   81    HD1  TRP  12           HD1      TRP  12  -4.558 -20.186  -5.701
   82    HE1  TRP  12           HE1      TRP  12  -6.269 -21.974  -5.154
   83    HE3  TRP  12           HE3      TRP  12  -3.017 -21.310  -0.967
   84    HZ2  TRP  12           HZ2      TRP  12  -7.050 -23.548  -2.834
   85    HZ3  TRP  12           HZ3      TRP  12  -4.281 -22.911   0.399
   86    HH2  TRP  12           HH2      TRP  12  -6.327 -24.021  -0.493
   87    H    LYS  13           H        LYS  13  -3.580 -16.574  -3.454
   88    HA   LYS  13           HA       LYS  13  -5.047 -15.728  -5.837
   89   1HB   LYS  13          HB2       LYS  13  -6.491 -16.838  -3.425
   90   2HB   LYS  13          HB3       LYS  13  -7.216 -15.672  -4.545
   91   1HG   LYS  13          HG2       LYS  13  -6.797 -17.185  -6.460
   92   2HG   LYS  13          HG3       LYS  13  -6.164 -18.405  -5.353
   93   1HD   LYS  13          HD2       LYS  13  -9.008 -17.348  -5.276
   94   2HD   LYS  13          HD3       LYS  13  -8.474 -18.850  -6.058
   95   1HE   LYS  13          HE2       LYS  13  -7.466 -19.580  -3.886
   96   2HE   LYS  13          HE3       LYS  13  -8.167 -18.154  -3.114
   97   1HZ   LYS  13          HZ1       LYS  13 -10.381 -19.004  -3.711
   98   2HZ   LYS  13          HZ2       LYS  13  -9.729 -20.319  -4.426
   99   3HZ   LYS  13          HZ3       LYS  13  -9.587 -20.110  -2.818
  100    H    VAL  14           H        VAL  14  -6.022 -13.661  -5.553
  101    HA   VAL  14           HA       VAL  14  -5.336 -12.122  -3.137
  102    HB   VAL  14           HB       VAL  14  -4.714 -11.278  -6.005
  103   1HG1  VAL  14          HG11      VAL  14  -3.913  -9.140  -5.004
  104   2HG1  VAL  14          HG12      VAL  14  -5.654  -9.339  -4.838
  105   3HG1  VAL  14          HG13      VAL  14  -4.586  -9.630  -3.436
  106   1HG2  VAL  14          HG21      VAL  14  -2.918 -12.640  -4.956
  107   2HG2  VAL  14          HG22      VAL  14  -2.406 -10.958  -5.139
  108   3HG2  VAL  14          HG23      VAL  14  -2.923 -11.551  -3.553
  109    H    HIS  15           H        HIS  15  -6.964 -10.601  -2.715
  110    HA   HIS  15           HA       HIS  15  -9.495 -10.886  -4.277
  111   1HB   HIS  15          HB2       HIS  15  -9.197 -11.131  -1.257
  112   2HB   HIS  15          HB3       HIS  15 -10.686 -11.291  -2.182
  113    HD1  HIS  15           HD1      HIS  15 -10.678 -13.538  -3.946
  114    HD2  HIS  15           HD2      HIS  15  -7.852 -13.332  -0.838
  115    HE1  HIS  15           HE1      HIS  15  -9.746 -15.891  -3.657
  116    H    VAL  16           H        VAL  16  -7.359  -8.687  -3.744
  117    HA   VAL  16           HA       VAL  16  -9.254  -6.505  -3.076
  118    HB   VAL  16           HB       VAL  16  -7.155  -5.348  -2.156
  119   1HG1  VAL  16          HG11      VAL  16  -8.289  -7.701  -0.612
  120   2HG1  VAL  16          HG12      VAL  16  -7.501  -6.254   0.071
  121   3HG1  VAL  16          HG13      VAL  16  -9.042  -6.104  -0.784
  122   1HG2  VAL  16          HG21      VAL  16  -5.439  -6.816  -1.135
  123   2HG2  VAL  16          HG22      VAL  16  -6.121  -8.217  -1.928
  124   3HG2  VAL  16          HG23      VAL  16  -5.407  -6.916  -2.906
  125    H    LYS  17           H        LYS  17  -8.704  -4.472  -4.063
  126    HA   LYS  17           HA       LYS  17  -6.880  -4.500  -6.359
  127   1HB   LYS  17          HB2       LYS  17  -9.872  -3.835  -6.499
  128   2HB   LYS  17          HB3       LYS  17  -8.699  -3.396  -7.741
  129   1HG   LYS  17          HG2       LYS  17  -8.248  -5.763  -8.222
  130   2HG   LYS  17          HG3       LYS  17  -9.324  -6.262  -6.911
  131   1HD   LYS  17          HD2       LYS  17 -10.459  -6.483  -9.067
  132   2HD   LYS  17          HD3       LYS  17 -11.260  -5.330  -8.010
  133   1HE   LYS  17          HE2       LYS  17 -11.300  -4.427 -10.221
  134   2HE   LYS  17          HE3       LYS  17 -10.204  -3.441  -9.254
  135   1HZ   LYS  17          HZ1       LYS  17  -8.343  -4.631 -10.309
  136   2HZ   LYS  17          HZ2       LYS  17  -9.379  -5.552 -11.177
  137   3HZ   LYS  17          HZ3       LYS  17  -9.294  -3.951 -11.442
  138    H    ALA  18           H        ALA  18  -6.448  -2.157  -6.964
  139    HA   ALA  18           HA       ALA  18  -6.458  -0.290  -4.802
  140   1HB   ALA  18          HB1       ALA  18  -4.943  -0.083  -6.740
  141   2HB   ALA  18          HB2       ALA  18  -6.338   0.208  -7.810
  142   3HB   ALA  18          HB3       ALA  18  -5.929   1.379  -6.541
  143    H    GLY  19           H        GLY  19  -8.004   1.118  -4.078
  144   1HA   GLY  19          HA2       GLY  19  -9.890   2.414  -4.075
  145   2HA   GLY  19          HA3       GLY  19 -10.364   1.797  -5.663
  146    H    ASP  20           H        ASP  20  -9.783  -1.047  -4.050
  147    HA   ASP  20           HA       ASP  20 -12.565  -1.554  -3.471
  148   1HB   ASP  20          HB2       ASP  20 -10.903  -3.261  -4.238
  149   2HB   ASP  20          HB3       ASP  20 -10.099  -3.137  -2.667
  150    H    GLN  21           H        GLN  21 -13.209  -2.456  -1.249
  151    HA   GLN  21           HA       GLN  21 -12.185  -0.712   0.956
  152   1HB   GLN  21          HB2       GLN  21 -14.489  -0.188  -0.119
  153   2HB   GLN  21          HB3       GLN  21 -15.050  -1.697   0.581
  154   1HG   GLN  21          HG2       GLN  21 -13.991   0.744   2.064
  155   2HG   GLN  21          HG3       GLN  21 -15.674   0.254   1.939
  156   1HE2  GLN  21          HE22      GLN  21 -13.199   0.368   4.060
  157   2HE2  GLN  21          HE21      GLN  21 -13.403  -1.122   4.937
  158    H    ILE  22           H        ILE  22 -11.647  -1.859   2.821
  159    HA   ILE  22           HA       ILE  22 -12.401  -4.724   3.026
  160    HB   ILE  22           HB       ILE  22 -10.147  -5.336   3.643
  161   1HG1  ILE  22          HG12      ILE  22  -9.296  -2.475   2.998
  162   2HG1  ILE  22          HG13      ILE  22  -9.367  -3.202   4.609
  163   1HG2  ILE  22          HG21      ILE  22 -10.880  -5.433   1.247
  164   2HG2  ILE  22          HG22      ILE  22 -10.021  -3.905   0.963
  165   3HG2  ILE  22          HG23      ILE  22  -9.133  -5.351   1.483
  166   1HD1  ILE  22          HD11      ILE  22  -7.097  -3.262   3.935
  167   2HD1  ILE  22          HD12      ILE  22  -7.685  -4.927   3.820
  168   3HD1  ILE  22          HD13      ILE  22  -7.497  -3.953   2.347
  169    H    GLU  23           H        GLU  23 -11.842  -5.617   5.235
  170    HA   GLU  23           HA       GLU  23 -12.389  -3.618   7.330
  171   1HB   GLU  23          HB2       GLU  23 -14.558  -4.183   6.384
  172   2HB   GLU  23          HB3       GLU  23 -14.208  -5.909   6.484
  173   1HG   GLU  23          HG2       GLU  23 -14.101  -5.752   8.947
  174   2HG   GLU  23          HG3       GLU  23 -14.339  -4.001   8.854
  175    H    LYS  24           H        LYS  24 -11.503  -4.357   9.283
  176    HA   LYS  24           HA       LYS  24  -9.331  -6.053   9.164
  177   1HB   LYS  24          HB2       LYS  24  -9.767  -4.411  10.951
  178   2HB   LYS  24          HB3       LYS  24 -11.044  -5.439  11.611
  179   1HG   LYS  24          HG2       LYS  24  -9.366  -7.243  12.022
  180   2HG   LYS  24          HG3       LYS  24  -8.093  -6.215  11.363
  181   1HD   LYS  24          HD2       LYS  24  -9.779  -5.581  13.828
  182   2HD   LYS  24          HD3       LYS  24  -8.166  -6.308  13.855
  183   1HE   LYS  24          HE2       LYS  24  -7.236  -4.295  12.723
  184   2HE   LYS  24          HE3       LYS  24  -8.841  -3.543  12.754
  185   1HZ   LYS  24          HZ1       LYS  24  -7.483  -2.798  14.600
  186   2HZ   LYS  24          HZ2       LYS  24  -8.757  -3.630  15.180
  187   3HZ   LYS  24          HZ3       LYS  24  -7.273  -4.317  15.145
  188    H    GLY  25           H        GLY  25  -9.025  -8.188   9.009
  189   1HA   GLY  25          HA2       GLY  25  -9.348 -10.442   9.467
  190   2HA   GLY  25          HA3       GLY  25 -10.935 -10.107  10.154
  191    H    GLN  26           H        GLN  26 -10.942  -8.544   7.126
  192    HA   GLN  26           HA       GLN  26 -12.484 -10.653   5.828
  193   1HB   GLN  26          HB2       GLN  26 -12.862  -8.138   5.506
  194   2HB   GLN  26          HB3       GLN  26 -11.298  -8.084   4.683
  195   1HG   GLN  26          HG2       GLN  26 -12.449 -10.043   3.202
  196   2HG   GLN  26          HG3       GLN  26 -13.917  -9.290   3.794
  197   1HE2  GLN  26          HE22      GLN  26 -11.213  -9.062   1.600
  198   2HE2  GLN  26          HE21      GLN  26 -11.672  -7.537   0.857
  199    H    GLU  27           H        GLU  27 -11.635 -12.007   4.213
  200    HA   GLU  27           HA       GLU  27  -8.804 -12.489   4.008
  201   1HB   GLU  27          HB2       GLU  27 -10.664 -14.125   3.655
  202   2HB   GLU  27          HB3       GLU  27 -11.075 -13.299   2.149
  203   1HG   GLU  27          HG2       GLU  27  -8.900 -13.896   1.195
  204   2HG   GLU  27          HG3       GLU  27  -8.349 -14.527   2.751
  205    H    VAL  28           H        VAL  28  -7.306 -11.479   2.760
  206    HA   VAL  28           HA       VAL  28  -8.217  -9.796   0.487
  207    HB   VAL  28           HB       VAL  28  -6.264  -8.339   0.996
  208   1HG1  VAL  28          HG11      VAL  28  -7.318  -7.103   2.798
  209   2HG1  VAL  28          HG12      VAL  28  -8.595  -7.781   1.765
  210   3HG1  VAL  28          HG13      VAL  28  -8.233  -8.538   3.316
  211   1HG2  VAL  28          HG21      VAL  28  -5.217  -8.361   3.197
  212   2HG2  VAL  28          HG22      VAL  28  -6.168  -9.769   3.684
  213   3HG2  VAL  28          HG23      VAL  28  -4.928  -9.923   2.416
  214    H    ALA  29           H        ALA  29  -6.018 -12.367   1.607
  215    HA   ALA  29           HA       ALA  29  -5.570 -13.035  -1.171
  216   1HB   ALA  29          HB1       ALA  29  -3.179 -12.208   0.555
  217   2HB   ALA  29          HB2       ALA  29  -3.074 -13.104  -0.960
  218   3HB   ALA  29          HB3       ALA  29  -3.713 -11.454  -0.961
  219    H    ILE  30           H        ILE  30  -4.081 -15.069  -1.202
  220    HA   ILE  30           HA       ILE  30  -4.076 -16.550   1.352
  221    HB   ILE  30           HB       ILE  30  -5.032 -17.861  -1.230
  222   1HG1  ILE  30          HG12      ILE  30  -6.685 -17.118   1.228
  223   2HG1  ILE  30          HG13      ILE  30  -6.821 -16.409  -0.384
  224   1HG2  ILE  30          HG21      ILE  30  -5.434 -19.822   0.304
  225   2HG2  ILE  30          HG22      ILE  30  -3.757 -19.364   0.220
  226   3HG2  ILE  30          HG23      ILE  30  -4.712 -18.881   1.637
  227   1HD1  ILE  30          HD11      ILE  30  -7.590 -19.212   0.455
  228   2HD1  ILE  30          HD12      ILE  30  -8.591 -17.950  -0.280
  229   3HD1  ILE  30          HD13      ILE  30  -7.343 -18.767  -1.247
  230    H    LEU  31           H        LEU  31  -2.250 -17.749   1.561
  231    HA   LEU  31           HA       LEU  31  -0.221 -17.694  -0.618
  232   1HB   LEU  31          HB2       LEU  31  -0.079 -18.482   2.303
  233   2HB   LEU  31          HB3       LEU  31   1.267 -18.581   1.200
  234    HG   LEU  31           HG       LEU  31  -0.109 -16.081   2.171
  235   1HD1  LEU  31          HD11      LEU  31   2.785 -16.967   2.495
  236   2HD1  LEU  31          HD12      LEU  31   1.918 -15.693   3.390
  237   3HD1  LEU  31          HD13      LEU  31   1.514 -17.373   3.662
  238   1HD2  LEU  31          HD21      LEU  31   1.602 -14.807   0.905
  239   2HD2  LEU  31          HD22      LEU  31   2.070 -16.318   0.079
  240   3HD2  LEU  31          HD23      LEU  31   0.445 -15.624  -0.132
  241    H    GLU  32           H        GLU  32   0.197 -19.442  -1.620
  242    HA   GLU  32           HA       GLU  32  -0.141 -22.113  -0.407
  243   1HB   GLU  32          HB2       GLU  32  -0.427 -22.181  -2.809
  244   2HB   GLU  32          HB3       GLU  32   0.900 -21.067  -3.086
  245   1HG   GLU  32          HG2       GLU  32   1.615 -23.639  -1.697
  246   2HG   GLU  32          HG3       GLU  32   1.052 -23.776  -3.352
  247    H    SER  33           H        SER  33   1.614 -22.794   0.724
  248    HA   SER  33           HA       SER  33   4.132 -21.205   0.664
  249   1HB   SER  33          HB2       SER  33   2.263 -21.759   2.956
  250   2HB   SER  33          HB3       SER  33   4.012 -21.755   3.256
  251    HG   SER  33           HG       SER  33   4.147 -19.698   2.485
  252    H    MET  34           H        MET  34   4.696 -22.913  -0.787
  253    HA   MET  34           HA       MET  34   5.729 -24.822  -1.316
  254   1HB   MET  34          HB2       MET  34   6.596 -25.088   1.581
  255   2HB   MET  34          HB3       MET  34   7.424 -25.668   0.133
  256   1HG   MET  34          HG2       MET  34   7.067 -22.798   1.059
  257   2HG   MET  34          HG3       MET  34   8.562 -23.715   0.996
  258   1HE   MET  34          HE1       MET  34   8.778 -20.659  -1.595
  259   2HE   MET  34          HE2       MET  34   7.736 -20.698  -0.157
  260   3HE   MET  34          HE3       MET  34   9.406 -21.303  -0.061
  261    H    LYS  35           H        BTL  35   3.089 -25.053  -0.979
  262    HA   LYS  35           HA       BTL  35   1.518 -26.548  -1.232
  263   1HB   LYS  35          HB2       BTL  35   3.245 -28.748  -0.059
  264   2HB   LYS  35          HB3       BTL  35   1.702 -28.922  -0.888
  265   1HG   LYS  35          HG2       BTL  35   2.681 -27.896  -2.936
  266   2HG   LYS  35          HG3       BTL  35   4.267 -27.862  -2.149
  267   1HD   LYS  35          HD2       BTL  35   4.172 -30.322  -1.852
  268   2HD   LYS  35          HD3       BTL  35   2.601 -30.358  -2.683
  269   1HE   LYS  35          HE2       BTL  35   5.142 -29.270  -3.972
  270   2HE   LYS  35          HE3       BTL  35   4.624 -30.960  -4.099
  271   1HZ   LYS  35          HZ1       BTL  35   2.596 -30.269  -5.173
  272    H    MET  36           H        MET  36   2.327 -25.107   1.506
  273    HA   MET  36           HA       MET  36   0.166 -26.338   3.143
  274   1HB   MET  36          HB2       MET  36   2.140 -24.121   3.856
  275   2HB   MET  36          HB3       MET  36   0.952 -24.870   4.918
  276   1HG   MET  36          HG2       MET  36   2.070 -27.055   4.683
  277   2HG   MET  36          HG3       MET  36   3.296 -26.335   3.640
  278   1HE   MET  36          HE1       MET  36   5.445 -24.162   5.997
  279   2HE   MET  36          HE2       MET  36   5.254 -24.872   4.378
  280   3HE   MET  36          HE3       MET  36   4.133 -23.609   4.934
  281    H    GLU  37           H        GLU  37  -1.390 -24.732   4.043
  282    HA   GLU  37           HA       GLU  37  -2.103 -22.663   2.018
  283   1HB   GLU  37          HB2       GLU  37  -4.426 -23.198   2.585
  284   2HB   GLU  37          HB3       GLU  37  -3.570 -24.547   1.848
  285   1HG   GLU  37          HG2       GLU  37  -4.217 -24.319   4.822
  286   2HG   GLU  37          HG3       GLU  37  -5.188 -25.150   3.636
  287    H    ILE  38           H        ILE  38  -2.180 -20.591   2.778
  288    HA   ILE  38           HA       ILE  38  -2.718 -20.190   5.684
  289    HB   ILE  38           HB       ILE  38  -0.431 -18.784   4.296
  290   1HG1  ILE  38          HG12      ILE  38  -0.245 -21.190   6.153
  291   2HG1  ILE  38          HG13      ILE  38   0.150 -21.176   4.427
  292   1HG2  ILE  38          HG21      ILE  38  -1.538 -17.629   6.213
  293   2HG2  ILE  38          HG22      ILE  38  -1.165 -19.029   7.238
  294   3HG2  ILE  38          HG23      ILE  38   0.137 -18.038   6.540
  295   1HD1  ILE  38          HD11      ILE  38   2.198 -21.074   5.575
  296   2HD1  ILE  38          HD12      ILE  38   1.912 -19.471   4.871
  297   3HD1  ILE  38          HD13      ILE  38   1.657 -19.744   6.615
  298    HA   PRO  39           HA       PRO  39  -5.457 -17.211   3.480
  299   1HB   PRO  39          HB2       PRO  39  -6.310 -16.825   6.348
  300   2HB   PRO  39          HB3       PRO  39  -7.322 -17.006   4.888
  301   1HG   PRO  39          HG2       PRO  39  -7.026 -19.080   6.639
  302   2HG   PRO  39          HG3       PRO  39  -7.055 -19.368   4.869
  303   1HD   PRO  39          HD2       PRO  39  -4.649 -19.201   6.699
  304   2HD   PRO  39          HD3       PRO  39  -4.990 -20.366   5.380
  305    H    ILE  40           H        ILE  40  -5.263 -14.919   3.427
  306    HA   ILE  40           HA       ILE  40  -3.601 -13.624   5.525
  307    HB   ILE  40           HB       ILE  40  -3.564 -12.917   2.581
  308   1HG1  ILE  40          HG12      ILE  40  -2.556 -15.124   2.720
  309   2HG1  ILE  40          HG13      ILE  40  -1.362 -13.914   2.338
  310   1HG2  ILE  40          HG21      ILE  40  -2.984 -11.066   4.064
  311   2HG2  ILE  40          HG22      ILE  40  -1.770 -12.062   4.892
  312   3HG2  ILE  40          HG23      ILE  40  -1.549 -11.609   3.191
  313   1HD1  ILE  40          HD11      ILE  40  -0.970 -15.843   4.180
  314   2HD1  ILE  40          HD12      ILE  40  -0.188 -14.242   4.291
  315   3HD1  ILE  40          HD13      ILE  40  -1.624 -14.613   5.255
  316    H    VAL  41           H        VAL  41  -4.809 -12.198   6.527
  317    HA   VAL  41           HA       VAL  41  -7.298 -11.225   5.251
  318    HB   VAL  41           HB       VAL  41  -8.131 -11.192   7.664
  319   1HG1  VAL  41          HG11      VAL  41  -9.069 -12.792   6.136
  320   2HG1  VAL  41          HG12      VAL  41  -7.641 -13.848   6.238
  321   3HG1  VAL  41          HG13      VAL  41  -8.730 -13.645   7.627
  322   1HG2  VAL  41          HG21      VAL  41  -6.002 -13.361   8.080
  323   2HG2  VAL  41          HG22      VAL  41  -5.845 -11.697   8.728
  324   3HG2  VAL  41          HG23      VAL  41  -7.168 -12.745   9.260
  325    H    ALA  42           H        ALA  42  -8.044  -9.175   5.940
  326    HA   ALA  42           HA       ALA  42  -6.089  -7.182   5.711
  327   1HB   ALA  42          HB1       ALA  42  -7.977  -5.638   6.116
  328   2HB   ALA  42          HB2       ALA  42  -8.473  -6.944   5.023
  329   3HB   ALA  42          HB3       ALA  42  -8.951  -6.984   6.727
  330    H    ASP  43           H        ASP  43  -4.630  -6.688   7.200
  331    HA   ASP  43           HA       ASP  43  -4.752  -7.080   9.993
  332   1HB   ASP  43          HB2       ASP  43  -2.658  -6.674   8.809
  333   2HB   ASP  43          HB3       ASP  43  -3.174  -5.042   8.377
  334    H    ARG  44           H        ARG  44  -6.128  -4.468   8.056
  335    HA   ARG  44           HA       ARG  44  -7.564  -3.476  10.363
  336   1HB   ARG  44          HB2       ARG  44  -6.958  -1.148  10.112
  337   2HB   ARG  44          HB3       ARG  44  -5.534  -2.070  10.533
  338   1HG   ARG  44          HG2       ARG  44  -6.163  -1.307   7.645
  339   2HG   ARG  44          HG3       ARG  44  -5.382  -0.191   8.742
  340   1HD   ARG  44          HD2       ARG  44  -4.278  -2.904   7.925
  341   2HD   ARG  44          HD3       ARG  44  -3.776  -1.352   7.280
  342    HE   ARG  44           HE       ARG  44  -2.977  -2.571   9.771
  343   1HH1  ARG  44          HH21      ARG  44  -3.373   0.682   8.210
  344   2HH1  ARG  44          HH22      ARG  44  -2.096   1.347   9.182
  345   1HH2  ARG  44          HH11      ARG  44  -1.473  -1.517  11.086
  346   2HH2  ARG  44          HH12      ARG  44  -1.158   0.195  10.919
  347    H    SER  45           H        SER  45  -9.350  -2.055   9.677
  348    HA   SER  45           HA       SER  45 -10.423  -2.632   7.063
  349   1HB   SER  45          HB2       SER  45 -11.214  -0.514   9.114
  350   2HB   SER  45          HB3       SER  45 -12.243  -1.189   7.833
  351    HG   SER  45           HG       SER  45 -12.545  -2.095   9.985
  352    H    GLY  46           H        GLY  46 -10.829  -0.952   5.374
  353   1HA   GLY  46          HA2       GLY  46 -10.234   1.717   5.482
  354   2HA   GLY  46          HA3       GLY  46  -8.668   0.988   5.099
  355    H    ILE  47           H        ILE  47  -9.189   2.499   3.204
  356    HA   ILE  47           HA       ILE  47 -10.531   1.001   1.001
  357    HB   ILE  47           HB       ILE  47  -9.594   3.886   1.294
  358   1HG1  ILE  47          HG12      ILE  47 -11.855   3.303   2.227
  359   2HG1  ILE  47          HG13      ILE  47 -11.850   4.551   0.994
  360   1HG2  ILE  47          HG21      ILE  47  -8.933   3.299  -0.931
  361   2HG2  ILE  47          HG22      ILE  47 -10.469   2.470  -1.254
  362   3HG2  ILE  47          HG23      ILE  47 -10.419   4.239  -1.059
  363   1HD1  ILE  47          HD11      ILE  47 -12.747   3.028  -0.677
  364   2HD1  ILE  47          HD12      ILE  47 -12.577   1.647   0.424
  365   3HD1  ILE  47          HD13      ILE  47 -13.743   2.937   0.781
  366    H    VAL  48           H        VAL  48  -9.180   0.023  -0.450
  367    HA   VAL  48           HA       VAL  48  -6.342  -0.203   0.112
  368    HB   VAL  48           HB       VAL  48  -8.007  -1.067  -2.279
  369   1HG1  VAL  48          HG11      VAL  48  -6.123  -2.673  -2.676
  370   2HG1  VAL  48          HG12      VAL  48  -5.609  -0.996  -2.847
  371   3HG1  VAL  48          HG13      VAL  48  -5.204  -1.881  -1.372
  372   1HG2  VAL  48          HG21      VAL  48  -7.925  -3.336  -1.243
  373   2HG2  VAL  48          HG22      VAL  48  -7.170  -2.624   0.205
  374   3HG2  VAL  48          HG23      VAL  48  -8.826  -2.184  -0.261
  375    H    LYS  49           H        LYS  49  -4.765   1.160  -0.623
  376    HA   LYS  49           HA       LYS  49  -5.500   3.253  -2.605
  377   1HB   LYS  49          HB2       LYS  49  -4.437   4.044  -0.550
  378   2HB   LYS  49          HB3       LYS  49  -3.098   2.924  -0.755
  379   1HG   LYS  49          HG2       LYS  49  -2.636   4.142  -3.008
  380   2HG   LYS  49          HG3       LYS  49  -3.831   5.333  -2.468
  381   1HD   LYS  49          HD2       LYS  49  -2.393   5.666  -0.383
  382   2HD   LYS  49          HD3       LYS  49  -1.238   4.520  -1.087
  383   1HE   LYS  49          HE2       LYS  49  -0.409   6.715  -1.530
  384   2HE   LYS  49          HE3       LYS  49  -0.945   6.011  -3.056
  385   1HZ   LYS  49          HZ1       LYS  49  -2.969   7.355  -2.876
  386   2HZ   LYS  49          HZ2       LYS  49  -2.472   7.985  -1.447
  387   3HZ   LYS  49          HZ3       LYS  49  -1.653   8.309  -2.813
  388    H    GLU  50           H        GLU  50  -3.211   0.434  -2.014
  389    HA   GLU  50           HA       GLU  50  -3.000   0.146  -4.918
  390   1HB   GLU  50          HB2       GLU  50  -1.225   1.900  -3.960
  391   2HB   GLU  50          HB3       GLU  50  -0.403   0.455  -3.371
  392   1HG   GLU  50          HG2       GLU  50  -0.296  -0.425  -5.676
  393   2HG   GLU  50          HG3       GLU  50  -1.263   0.939  -6.255
  394    H    VAL  51           H        VAL  51  -1.945  -1.922  -5.459
  395    HA   VAL  51           HA       VAL  51  -1.756  -3.835  -3.182
  396    HB   VAL  51           HB       VAL  51  -2.408  -4.637  -6.033
  397   1HG1  VAL  51          HG11      VAL  51  -2.987  -6.001  -3.364
  398   2HG1  VAL  51          HG12      VAL  51  -3.206  -6.682  -4.987
  399   3HG1  VAL  51          HG13      VAL  51  -1.582  -6.349  -4.370
  400   1HG2  VAL  51          HG21      VAL  51  -4.793  -4.876  -5.364
  401   2HG2  VAL  51          HG22      VAL  51  -4.454  -3.970  -3.877
  402   3HG2  VAL  51          HG23      VAL  51  -4.281  -3.189  -5.464
  403    H    LYS  52           H        LYS  52   0.282  -4.609  -2.915
  404    HA   LYS  52           HA       LYS  52   2.342  -3.530  -4.719
  405   1HB   LYS  52          HB2       LYS  52   2.543  -4.985  -2.040
  406   2HB   LYS  52          HB3       LYS  52   3.846  -4.151  -2.875
  407   1HG   LYS  52          HG2       LYS  52   1.341  -2.802  -1.762
  408   2HG   LYS  52          HG3       LYS  52   2.930  -2.823  -1.007
  409   1HD   LYS  52          HD2       LYS  52   3.892  -1.582  -2.923
  410   2HD   LYS  52          HD3       LYS  52   2.285  -1.534  -3.695
  411   1HE   LYS  52          HE2       LYS  52   1.360  -0.320  -1.807
  412   2HE   LYS  52          HE3       LYS  52   2.908  -0.382  -0.947
  413   1HZ   LYS  52          HZ1       LYS  52   2.437   1.727  -2.109
  414   2HZ   LYS  52          HZ2       LYS  52   3.852   1.042  -2.616
  415   3HZ   LYS  52          HZ3       LYS  52   2.503   0.964  -3.560
  416    H    LYS  53           H        LYS  53   0.603  -6.350  -4.713
  417    HA   LYS  53           HA       LYS  53   2.622  -7.873  -6.207
  418   1HB   LYS  53          HB2       LYS  53   1.107  -8.975  -3.794
  419   2HB   LYS  53          HB3       LYS  53   2.057  -9.937  -4.934
  420   1HG   LYS  53          HG2       LYS  53   3.306  -7.781  -3.197
  421   2HG   LYS  53          HG3       LYS  53   3.137  -9.467  -2.720
  422   1HD   LYS  53          HD2       LYS  53   4.420 -10.213  -4.672
  423   2HD   LYS  53          HD3       LYS  53   4.636  -8.525  -5.210
  424   1HE   LYS  53          HE2       LYS  53   5.972  -7.984  -3.324
  425   2HE   LYS  53          HE3       LYS  53   5.424  -9.402  -2.433
  426   1HZ   LYS  53          HZ1       LYS  53   7.333  -9.399  -4.678
  427   2HZ   LYS  53          HZ2       LYS  53   7.543  -9.864  -3.097
  428   3HZ   LYS  53          HZ3       LYS  53   6.639 -10.782  -4.087
  429    H    LYS  54           H        LYS  54   1.259 -10.043  -6.884
  430    HA   LYS  54           HA       LYS  54  -1.568  -9.495  -7.275
  431   1HB   LYS  54          HB2       LYS  54  -1.458  -9.836  -9.750
  432   2HB   LYS  54          HB3       LYS  54  -0.796  -8.330  -9.172
  433   1HG   LYS  54          HG2       LYS  54   0.704  -8.903 -10.814
  434   2HG   LYS  54          HG3       LYS  54   1.547  -9.379  -9.359
  435   1HD   LYS  54          HD2       LYS  54   1.915 -11.075 -10.981
  436   2HD   LYS  54          HD3       LYS  54   0.797 -11.772  -9.808
  437   1HE   LYS  54          HE2       LYS  54  -1.109 -11.139 -11.370
  438   2HE   LYS  54          HE3       LYS  54   0.092 -10.563 -12.534
  439   1HZ   LYS  54          HZ1       LYS  54  -0.602 -12.803 -13.042
  440   2HZ   LYS  54          HZ2       LYS  54   0.968 -12.853 -12.594
  441   3HZ   LYS  54          HZ3       LYS  54  -0.212 -13.330 -11.542
  442    H    GLU  55           H        GLU  55  -2.648 -11.451  -8.188
  443    HA   GLU  55           HA       GLU  55  -1.981 -13.802  -6.840
  444   1HB   GLU  55          HB2       GLU  55  -4.185 -13.195  -7.749
  445   2HB   GLU  55          HB3       GLU  55  -3.589 -13.391  -9.402
  446   1HG   GLU  55          HG2       GLU  55  -3.188 -15.798  -8.988
  447   2HG   GLU  55          HG3       GLU  55  -3.687 -15.601  -7.315
  448    H    GLY  56           H        GLY  56  -0.418 -15.251  -7.129
  449   1HA   GLY  56          HA2       GLY  56   0.780 -16.821  -8.380
  450   2HA   GLY  56          HA3       GLY  56   0.753 -15.765  -9.798
  451    H    ASP  57           H        ASP  57   1.540 -13.601  -7.351
  452    HA   ASP  57           HA       ASP  57   4.308 -13.647  -8.231
  453   1HB   ASP  57          HB2       ASP  57   2.797 -11.582  -7.560
  454   2HB   ASP  57          HB3       ASP  57   3.360 -11.942  -5.941
  455    H    PHE  58           H        PHE  58   6.119 -13.624  -6.707
  456    HA   PHE  58           HA       PHE  58   5.960 -15.792  -4.677
  457   1HB   PHE  58          HB2       PHE  58   7.793 -15.878  -6.320
  458   2HB   PHE  58          HB3       PHE  58   8.275 -14.238  -5.906
  459    HD1  PHE  58           HD1      PHE  58   9.750 -13.804  -4.062
  460    HD2  PHE  58           HD2      PHE  58   7.970 -17.708  -4.515
  461    HE1  PHE  58           HE1      PHE  58  11.234 -14.690  -2.282
  462    HE2  PHE  58           HE2      PHE  58   9.459 -18.589  -2.738
  463    HZ   PHE  58           HZ       PHE  58  11.102 -17.087  -1.627
  464    H    VAL  59           H        VAL  59   6.413 -15.327  -2.485
  465    HA   VAL  59           HA       VAL  59   6.831 -12.541  -1.644
  466    HB   VAL  59           HB       VAL  59   4.834 -12.754  -0.137
  467   1HG1  VAL  59          HG11      VAL  59   4.828 -11.300  -2.112
  468   2HG1  VAL  59          HG12      VAL  59   4.101 -12.607  -3.081
  469   3HG1  VAL  59          HG13      VAL  59   3.221 -11.908  -1.716
  470   1HG2  VAL  59          HG21      VAL  59   2.963 -14.175  -0.795
  471   2HG2  VAL  59          HG22      VAL  59   3.908 -14.917  -2.089
  472   3HG2  VAL  59          HG23      VAL  59   4.363 -15.183  -0.389
  473    H    ASN  60           H        ASN  60   6.990 -12.431   0.807
  474    HA   ASN  60           HA       ASN  60   7.729 -14.919   2.092
  475   1HB   ASN  60          HB2       ASN  60   9.765 -13.279   0.829
  476   2HB   ASN  60          HB3       ASN  60   9.952 -13.146   2.570
  477   1HD2  ASN  60          HD22      ASN  60   9.160 -15.749   0.150
  478   2HD2  ASN  60          HD21      ASN  60  10.253 -16.923   0.841
  479    H    GLU  61           H        GLU  61   8.471 -14.500   4.401
  480    HA   GLU  61           HA       GLU  61   6.465 -12.972   5.725
  481   1HB   GLU  61          HB2       GLU  61   7.637 -14.920   6.662
  482   2HB   GLU  61          HB3       GLU  61   9.152 -14.032   6.729
  483   1HG   GLU  61          HG2       GLU  61   6.642 -13.114   8.196
  484   2HG   GLU  61          HG3       GLU  61   7.734 -14.308   8.882
  485    H    GLY  62           H        GLY  62   6.257 -10.835   5.856
  486   1HA   GLY  62          HA2       GLY  62   6.878  -8.696   6.497
  487   2HA   GLY  62          HA3       GLY  62   8.590  -9.083   6.278
  488    H    ASP  63           H        ASP  63   7.044 -10.262   3.509
  489    HA   ASP  63           HA       ASP  63   7.923  -7.977   1.899
  490   1HB   ASP  63          HB2       ASP  63   8.199 -10.437   1.265
  491   2HB   ASP  63          HB3       ASP  63   6.453 -10.482   0.999
  492    H    VAL  64           H        VAL  64   6.475  -6.589   0.837
  493    HA   VAL  64           HA       VAL  64   4.053  -6.065   2.317
  494    HB   VAL  64           HB       VAL  64   3.837  -4.188   0.650
  495   1HG1  VAL  64          HG11      VAL  64   6.492  -4.391   2.131
  496   2HG1  VAL  64          HG12      VAL  64   5.687  -2.898   1.604
  497   3HG1  VAL  64          HG13      VAL  64   4.933  -3.921   2.837
  498   1HG2  VAL  64          HG21      VAL  64   6.625  -4.995  -0.299
  499   2HG2  VAL  64          HG22      VAL  64   5.146  -5.284  -1.230
  500   3HG2  VAL  64          HG23      VAL  64   5.641  -3.627  -0.842
  501    H    LEU  65           H        LEU  65   1.906  -5.808   1.433
  502    HA   LEU  65           HA       LEU  65   1.317  -7.357  -1.055
  503   1HB   LEU  65          HB2       LEU  65   0.802  -8.838   0.803
  504   2HB   LEU  65          HB3       LEU  65  -0.043  -7.554   1.660
  505    HG   LEU  65           HG       LEU  65  -1.800  -7.512  -0.126
  506   1HD1  LEU  65          HD11      LEU  65  -1.958  -9.417  -1.701
  507   2HD1  LEU  65          HD12      LEU  65  -0.552  -8.407  -2.039
  508   3HD1  LEU  65          HD13      LEU  65  -0.342  -9.963  -1.204
  509   1HD2  LEU  65          HD21      LEU  65  -2.945  -9.503   0.575
  510   2HD2  LEU  65          HD22      LEU  65  -1.432 -10.240   1.138
  511   3HD2  LEU  65          HD23      LEU  65  -2.089  -8.802   1.953
  512    H    LEU  66           H        LEU  66   0.214  -4.827   1.335
  513    HA   LEU  66           HA       LEU  66  -1.456  -3.661  -0.811
  514   1HB   LEU  66          HB2       LEU  66  -2.465  -5.497   0.955
  515   2HB   LEU  66          HB3       LEU  66  -2.524  -4.075   1.980
  516    HG   LEU  66           HG       LEU  66  -4.056  -2.972   0.422
  517   1HD1  LEU  66          HD11      LEU  66  -3.408  -3.788  -1.737
  518   2HD1  LEU  66          HD12      LEU  66  -3.592  -5.480  -1.239
  519   3HD1  LEU  66          HD13      LEU  66  -5.016  -4.430  -1.459
  520   1HD2  LEU  66          HD21      LEU  66  -4.936  -4.520   2.178
  521   2HD2  LEU  66          HD22      LEU  66  -5.956  -4.538   0.730
  522   3HD2  LEU  66          HD23      LEU  66  -4.831  -5.873   1.042
  523    H    GLU  67           H        GLU  67  -1.836  -1.485  -0.532
  524    HA   GLU  67           HA       GLU  67  -0.859  -0.157   1.936
  525   1HB   GLU  67          HB2       GLU  67   0.720   0.239   0.089
  526   2HB   GLU  67          HB3       GLU  67  -0.587   0.860  -0.928
  527   1HG   GLU  67          HG2       GLU  67  -0.917   2.745   0.577
  528   2HG   GLU  67          HG3       GLU  67   0.184   2.041   1.768
  529    H    LEU  68           H        LEU  68  -2.268   1.498   2.600
  530    HA   LEU  68           HA       LEU  68  -4.981   1.408   1.343
  531   1HB   LEU  68          HB2       LEU  68  -4.332   1.452   4.309
  532   2HB   LEU  68          HB3       LEU  68  -5.920   1.307   3.568
  533    HG   LEU  68           HG       LEU  68  -3.735  -0.803   3.641
  534   1HD1  LEU  68          HD11      LEU  68  -5.017  -0.320   5.735
  535   2HD1  LEU  68          HD12      LEU  68  -6.518  -0.735   4.889
  536   3HD1  LEU  68          HD13      LEU  68  -5.264  -1.972   5.124
  537   1HD2  LEU  68          HD21      LEU  68  -5.405  -2.330   2.652
  538   2HD2  LEU  68          HD22      LEU  68  -6.508  -0.963   2.376
  539   3HD2  LEU  68          HD23      LEU  68  -4.942  -1.065   1.531
  540    H    SER  69           H        SER  69  -6.281   3.340   1.843
  541    HA   SER  69           HA       SER  69  -4.800   5.788   2.199
  542   1HB   SER  69          HB2       SER  69  -7.752   5.251   2.688
  543   2HB   SER  69          HB3       SER  69  -6.980   6.816   2.333
  544    HG   SER  69           HG       SER  69  -7.900   5.949   0.460
  545    H    ASN  70           H        ASN  70  -6.330   3.448   4.374
  546    HA   ASN  70           HA       ASN  70  -5.710   4.932   6.826
  547   1HB   ASN  70          HB2       ASN  70  -7.758   3.524   6.666
  548   2HB   ASN  70          HB3       ASN  70  -6.740   2.092   6.453
  549   1HD2  ASN  70          HD22      ASN  70  -7.802   1.258   8.436
  550   2HD2  ASN  70          HD21      ASN  70  -7.251   1.820  10.004
  551    H    SER  71           H        SER  71  -3.410   5.009   5.764
  552    HA   SER  71           HA       SER  71  -1.800   2.889   7.123
  553   1HB   SER  71          HB2       SER  71  -0.933   4.467   4.681
  554   2HB   SER  71          HB3       SER  71  -0.045   3.170   5.504
  555    HG   SER  71           HG       SER  71  -2.314   3.085   3.874
  556    H    THR  72           H        THR  72  -2.995   5.725   7.827
  557    HA   THR  72           HA       THR  72  -0.717   7.316   8.623
  558    HB   THR  72           HB       THR  72  -2.684   8.364  10.005
  559    HG1  THR  72           HG1      THR  72  -4.702   7.711   9.405
  560   1HG2  THR  72          HG21      THR  72  -1.830   9.322   7.881
  561   2HG2  THR  72          HG22      THR  72  -2.891   8.239   6.956
  562   3HG2  THR  72          HG23      THR  72  -3.586   9.491   8.009
  563    H    GLN  73           H        GLN  73  -1.646   4.304   9.594
  564    HA   GLN  73           HA       GLN  73  -0.374   4.347  12.170
  565   1HB   GLN  73          HB2       GLN  73  -2.264   3.248  13.312
  566   2HB   GLN  73          HB3       GLN  73  -2.714   4.878  12.812
  567   1HG   GLN  73          HG2       GLN  73  -3.868   3.875  10.795
  568   2HG   GLN  73          HG3       GLN  73  -3.533   2.270  11.441
  569   1HE2  GLN  73          HE22      GLN  73  -6.094   3.886  10.936
  570   2HE2  GLN  73          HE21      GLN  73  -6.976   3.792  12.456
  571    HN3  BTI 135           HN3      BTL  35  -4.689 -25.868  -1.581
  572    HN2  BTI 135           HN2      BTL  35  -2.910 -25.041  -5.091
  573    H4   BTI 135           H4       BTL  35  -1.548 -24.055  -3.184
  574    H2   BTI 135           H2       BTL  35   0.066 -25.796  -2.905
  575    H62  BTI 135           H62      BTL  35  -1.123 -26.395  -0.646
  576    H63  BTI 135           H63      BTL  35  -2.682 -27.253  -0.679
  577    H5   BTI 135           H5       BTL  35  -2.546 -24.580  -1.133
  578    H72  BTI 135           H72      BTL  35  -1.221 -26.665  -5.494
  579    H73  BTI 135           H73      BTL  35  -0.232 -25.198  -5.306
  580    H82  BTI 135           H82      BTL  35   1.668 -26.544  -4.517
  581    H83  BTI 135           H83      BTL  35   0.682 -28.010  -4.608
  582    H92  BTI 135           H92      BTL  35   0.379 -27.370  -7.127
  583    H93  BTI 135           H93      BTL  35   1.745 -26.274  -6.867
  584   H102  BTI 135          H102      BTL  35   1.621 -29.296  -6.761
  585   H103  BTI 135          H103      BTL  35   2.638 -28.292  -7.784
  Start of MODEL   12
    1   1H    THR   2           H1       THR   2   1.741  -0.265   3.552
    2   2H    THR   2           H2       THR   2   2.526  -1.613   4.078
    3   3H    THR   2           H3       THR   2   1.226  -1.751   3.079
    4    HA   THR   2           HA       THR   2   1.227  -0.739   5.827
    5    HB   THR   2           HB       THR   2  -1.224  -1.147   4.100
    6    HG1  THR   2           HG1      THR   2  -0.004   1.335   4.694
    7   1HG2  THR   2          HG21      THR   2  -0.767   0.265   6.758
    8   2HG2  THR   2          HG22      THR   2  -2.248   0.396   5.792
    9   3HG2  THR   2          HG23      THR   2  -1.766  -1.176   6.459
   10    H    VAL   3           H        VAL   3  -0.695  -3.233   3.943
   11    HA   VAL   3           HA       VAL   3  -0.301  -5.105   6.203
   12    HB   VAL   3           HB       VAL   3  -1.818  -5.617   3.622
   13   1HG1  VAL   3          HG11      VAL   3  -3.070  -7.235   5.003
   14   2HG1  VAL   3          HG12      VAL   3  -1.347  -7.611   4.981
   15   3HG1  VAL   3          HG13      VAL   3  -2.062  -6.821   6.407
   16   1HG2  VAL   3          HG21      VAL   3  -2.931  -4.389   6.188
   17   2HG2  VAL   3          HG22      VAL   3  -2.897  -3.623   4.587
   18   3HG2  VAL   3          HG23      VAL   3  -3.917  -5.032   4.855
   19    H    SER   4           H        SER   4   0.918  -7.055   5.876
   20    HA   SER   4           HA       SER   4   2.481  -7.331   3.380
   21   1HB   SER   4          HB2       SER   4   3.715  -7.275   6.158
   22   2HB   SER   4          HB3       SER   4   4.571  -7.507   4.636
   23    HG   SER   4           HG       SER   4   3.297  -5.159   5.592
   24    H    ILE   5           H        ILE   5   3.641  -9.388   3.381
   25    HA   ILE   5           HA       ILE   5   1.963 -11.579   4.327
   26    HB   ILE   5           HB       ILE   5   4.480 -11.372   2.602
   27   1HG1  ILE   5          HG12      ILE   5   2.690 -10.372   1.402
   28   2HG1  ILE   5          HG13      ILE   5   2.885 -11.973   0.741
   29   1HG2  ILE   5          HG21      ILE   5   2.757 -13.790   3.210
   30   2HG2  ILE   5          HG22      ILE   5   3.927 -13.724   1.885
   31   3HG2  ILE   5          HG23      ILE   5   4.501 -13.567   3.528
   32   1HD1  ILE   5          HD11      ILE   5   0.687 -11.053   2.615
   33   2HD1  ILE   5          HD12      ILE   5   0.545 -11.565   0.925
   34   3HD1  ILE   5          HD13      ILE   5   0.942 -12.761   2.164
   35    H    GLN   6           H        GLN   6   2.798 -13.358   5.526
   36    HA   GLN   6           HA       GLN   6   4.795 -12.553   7.589
   37   1HB   GLN   6          HB2       GLN   6   3.290 -13.453   9.244
   38   2HB   GLN   6          HB3       GLN   6   2.416 -12.301   8.238
   39   1HG   GLN   6          HG2       GLN   6   1.546 -14.320   6.891
   40   2HG   GLN   6          HG3       GLN   6   2.246 -15.349   8.138
   41   1HE2  GLN   6          HE22      GLN   6  -0.360 -13.151   7.321
   42   2HE2  GLN   6          HE21      GLN   6  -1.295 -13.389   8.777
   43    H    MET   7           H        MET   7   4.481 -14.734   5.110
   44    HA   MET   7           HA       MET   7   6.223 -16.717   6.369
   45   1HB   MET   7          HB2       MET   7   4.058 -17.560   7.046
   46   2HB   MET   7          HB3       MET   7   3.378 -17.302   5.441
   47   1HG   MET   7          HG2       MET   7   3.817 -19.662   5.939
   48   2HG   MET   7          HG3       MET   7   4.650 -19.082   4.512
   49   1HE   MET   7          HE1       MET   7   6.091 -21.097   4.270
   50   2HE   MET   7          HE2       MET   7   6.990 -21.886   5.590
   51   3HE   MET   7          HE3       MET   7   5.210 -21.828   5.625
   52    H    ALA   8           H        ALA   8   7.257 -18.013   4.761
   53    HA   ALA   8           HA       ALA   8   7.700 -16.794   2.184
   54   1HB   ALA   8          HB1       ALA   8   9.488 -17.915   3.396
   55   2HB   ALA   8          HB2       ALA   8   8.571 -19.448   3.384
   56   3HB   ALA   8          HB3       ALA   8   9.168 -18.759   1.861
   57    H    GLY   9           H        GLY   9   6.766 -17.273   0.234
   58   1HA   GLY   9          HA2       GLY   9   5.512 -19.744  -0.402
   59   2HA   GLY   9          HA3       GLY   9   4.304 -18.681   0.319
   60    H    ASN  10           H        ASN  10   3.234 -18.923  -1.646
   61    HA   ASN  10           HA       ASN  10   4.046 -17.025  -3.787
   62   1HB   ASN  10          HB2       ASN  10   2.953 -19.851  -4.168
   63   2HB   ASN  10          HB3       ASN  10   3.130 -18.646  -5.443
   64   1HD2  ASN  10          HD21      ASN  10   4.833 -20.973  -3.400
   65   2HD2  ASN  10          HD22      ASN  10   6.421 -20.721  -4.102
   66    H    LEU  11           H        LEU  11   2.332 -15.723  -4.253
   67    HA   LEU  11           HA       LEU  11   0.161 -15.789  -2.363
   68   1HB   LEU  11          HB2       LEU  11   1.593 -13.810  -3.170
   69   2HB   LEU  11          HB3       LEU  11   0.647 -13.845  -4.635
   70    HG   LEU  11           HG       LEU  11  -1.440 -13.487  -3.229
   71   1HD1  LEU  11          HD11      LEU  11  -0.990 -12.576  -0.880
   72   2HD1  LEU  11          HD12      LEU  11  -0.780 -14.318  -1.044
   73   3HD1  LEU  11          HD13      LEU  11   0.638 -13.247  -0.999
   74   1HD2  LEU  11          HD21      LEU  11  -0.153 -11.646  -4.336
   75   2HD2  LEU  11          HD22      LEU  11  -0.976 -11.118  -2.875
   76   3HD2  LEU  11          HD23      LEU  11   0.776 -11.432  -2.834
   77    H    TRP  12           H        TRP  12  -0.521 -17.880  -3.339
   78    HA   TRP  12           HA       TRP  12  -1.577 -18.699  -5.596
   79   1HB   TRP  12          HB2       TRP  12  -1.530 -19.956  -3.576
   80   2HB   TRP  12          HB3       TRP  12  -2.664 -18.885  -2.781
   81    HD1  TRP  12           HD1      TRP  12  -4.185 -19.905  -6.022
   82    HE1  TRP  12           HE1      TRP  12  -5.914 -21.724  -5.634
   83    HE3  TRP  12           HE3      TRP  12  -2.905 -21.178  -1.252
   84    HZ2  TRP  12           HZ2      TRP  12  -6.816 -23.371  -3.412
   85    HZ3  TRP  12           HZ3      TRP  12  -4.246 -22.811  -0.004
   86    HH2  TRP  12           HH2      TRP  12  -6.217 -23.917  -1.051
   87    H    LYS  13           H        LYS  13  -3.602 -16.530  -3.482
   88    HA   LYS  13           HA       LYS  13  -4.909 -15.609  -5.942
   89   1HB   LYS  13          HB2       LYS  13  -6.515 -16.788  -3.634
   90   2HB   LYS  13          HB3       LYS  13  -7.185 -15.734  -4.889
   91   1HG   LYS  13          HG2       LYS  13  -6.402 -17.374  -6.632
   92   2HG   LYS  13          HG3       LYS  13  -5.996 -18.482  -5.317
   93   1HD   LYS  13          HD2       LYS  13  -8.765 -17.388  -5.944
   94   2HD   LYS  13          HD3       LYS  13  -8.165 -19.008  -6.323
   95   1HE   LYS  13          HE2       LYS  13  -7.793 -19.409  -3.875
   96   2HE   LYS  13          HE3       LYS  13  -8.516 -17.831  -3.529
   97   1HZ   LYS  13          HZ1       LYS  13  -9.904 -20.106  -4.844
   98   2HZ   LYS  13          HZ2       LYS  13 -10.140 -19.612  -3.311
   99   3HZ   LYS  13          HZ3       LYS  13 -10.584 -18.652  -4.550
  100    H    VAL  14           H        VAL  14  -6.208 -13.673  -5.528
  101    HA   VAL  14           HA       VAL  14  -5.525 -12.096  -3.153
  102    HB   VAL  14           HB       VAL  14  -4.927 -11.258  -6.025
  103   1HG1  VAL  14          HG11      VAL  14  -5.801  -9.331  -4.780
  104   2HG1  VAL  14          HG12      VAL  14  -4.671  -9.661  -3.436
  105   3HG1  VAL  14          HG13      VAL  14  -4.071  -9.167  -5.035
  106   1HG2  VAL  14          HG21      VAL  14  -3.111 -12.650  -5.133
  107   2HG2  VAL  14          HG22      VAL  14  -2.587 -10.966  -5.142
  108   3HG2  VAL  14          HG23      VAL  14  -3.113 -11.720  -3.623
  109    H    HIS  15           H        HIS  15  -7.116 -10.615  -2.779
  110    HA   HIS  15           HA       HIS  15  -9.645 -10.814  -4.355
  111   1HB   HIS  15          HB2       HIS  15  -9.400 -11.207  -1.344
  112   2HB   HIS  15          HB3       HIS  15 -10.865 -11.347  -2.313
  113    HD1  HIS  15           HD1      HIS  15 -10.645 -13.468  -4.282
  114    HD2  HIS  15           HD2      HIS  15  -8.063 -13.416  -0.961
  115    HE1  HIS  15           HE1      HIS  15  -9.596 -15.785  -4.145
  116    H    VAL  16           H        VAL  16  -7.534  -8.670  -3.822
  117    HA   VAL  16           HA       VAL  16  -9.395  -6.482  -3.087
  118    HB   VAL  16           HB       VAL  16  -7.232  -5.331  -2.256
  119   1HG1  VAL  16          HG11      VAL  16  -9.097  -5.982  -0.815
  120   2HG1  VAL  16          HG12      VAL  16  -8.409  -7.608  -0.638
  121   3HG1  VAL  16          HG13      VAL  16  -7.539  -6.184   0.004
  122   1HG2  VAL  16          HG21      VAL  16  -6.267  -8.215  -1.958
  123   2HG2  VAL  16          HG22      VAL  16  -5.554  -6.976  -3.013
  124   3HG2  VAL  16          HG23      VAL  16  -5.521  -6.801  -1.249
  125    H    LYS  17           H        LYS  17  -8.821  -4.442  -4.102
  126    HA   LYS  17           HA       LYS  17  -6.921  -4.477  -6.318
  127   1HB   LYS  17          HB2       LYS  17  -9.863  -3.692  -6.668
  128   2HB   LYS  17          HB3       LYS  17  -8.583  -3.412  -7.853
  129   1HG   LYS  17          HG2       LYS  17  -8.221  -5.899  -7.981
  130   2HG   LYS  17          HG3       LYS  17  -9.639  -6.120  -6.943
  131   1HD   LYS  17          HD2       LYS  17  -9.637  -4.760  -9.672
  132   2HD   LYS  17          HD3       LYS  17 -10.141  -6.425  -9.348
  133   1HE   LYS  17          HE2       LYS  17 -11.925  -5.585  -7.820
  134   2HE   LYS  17          HE3       LYS  17 -11.452  -3.922  -8.191
  135   1HZ   LYS  17          HZ1       LYS  17 -12.046  -4.339 -10.508
  136   2HZ   LYS  17          HZ2       LYS  17 -12.488  -5.874 -10.162
  137   3HZ   LYS  17          HZ3       LYS  17 -13.321  -4.624  -9.536
  138    H    ALA  18           H        ALA  18  -6.467  -2.122  -6.904
  139    HA   ALA  18           HA       ALA  18  -6.490  -0.295  -4.720
  140   1HB   ALA  18          HB1       ALA  18  -6.344   0.247  -7.721
  141   2HB   ALA  18          HB2       ALA  18  -5.933   1.396  -6.433
  142   3HB   ALA  18          HB3       ALA  18  -4.960  -0.073  -6.647
  143    H    GLY  19           H        GLY  19  -7.972   1.188  -4.035
  144   1HA   GLY  19          HA2       GLY  19  -9.833   2.523  -4.020
  145   2HA   GLY  19          HA3       GLY  19 -10.326   1.910  -5.602
  146    H    ASP  20           H        ASP  20  -9.833  -0.952  -3.989
  147    HA   ASP  20           HA       ASP  20 -12.646  -1.320  -3.392
  148   1HB   ASP  20          HB2       ASP  20 -11.084  -3.095  -4.254
  149   2HB   ASP  20          HB3       ASP  20 -10.271  -3.080  -2.683
  150    H    GLN  21           H        GLN  21 -13.331  -2.163  -1.188
  151    HA   GLN  21           HA       GLN  21 -12.081  -0.615   1.055
  152   1HB   GLN  21          HB2       GLN  21 -14.375   0.114   0.565
  153   2HB   GLN  21          HB3       GLN  21 -14.927  -1.553   0.522
  154   1HG   GLN  21          HG2       GLN  21 -15.701  -0.669   2.553
  155   2HG   GLN  21          HG3       GLN  21 -14.418  -1.771   2.977
  156   1HE2  GLN  21          HE22      GLN  21 -13.124  -0.947   4.656
  157   2HE2  GLN  21          HE21      GLN  21 -12.977   0.748   5.022
  158    H    ILE  22           H        ILE  22 -11.480  -1.815   2.856
  159    HA   ILE  22           HA       ILE  22 -12.270  -4.667   3.035
  160    HB   ILE  22           HB       ILE  22 -10.041  -5.325   3.692
  161   1HG1  ILE  22          HG12      ILE  22  -9.167  -2.461   3.108
  162   2HG1  ILE  22          HG13      ILE  22  -9.211  -3.251   4.690
  163   1HG2  ILE  22          HG21      ILE  22  -8.988  -5.346   1.547
  164   2HG2  ILE  22          HG22      ILE  22 -10.732  -5.428   1.296
  165   3HG2  ILE  22          HG23      ILE  22  -9.867  -3.902   1.011
  166   1HD1  ILE  22          HD11      ILE  22  -7.387  -3.853   2.357
  167   2HD1  ILE  22          HD12      ILE  22  -6.954  -3.283   3.986
  168   3HD1  ILE  22          HD13      ILE  22  -7.533  -4.942   3.749
  169    H    GLU  23           H        GLU  23 -11.696  -5.538   5.274
  170    HA   GLU  23           HA       GLU  23 -12.174  -3.542   7.369
  171   1HB   GLU  23          HB2       GLU  23 -14.385  -4.228   6.300
  172   2HB   GLU  23          HB3       GLU  23 -14.044  -5.890   6.816
  173   1HG   GLU  23          HG2       GLU  23 -13.932  -5.094   9.179
  174   2HG   GLU  23          HG3       GLU  23 -14.232  -3.442   8.627
  175    H    LYS  24           H        LYS  24 -11.385  -4.351   9.327
  176    HA   LYS  24           HA       LYS  24  -9.248  -6.090   9.287
  177   1HB   LYS  24          HB2       LYS  24  -9.726  -4.434  11.047
  178   2HB   LYS  24          HB3       LYS  24 -11.074  -5.408  11.629
  179   1HG   LYS  24          HG2       LYS  24  -9.497  -7.244  12.201
  180   2HG   LYS  24          HG3       LYS  24  -8.139  -6.276  11.623
  181   1HD   LYS  24          HD2       LYS  24 -10.039  -5.387  13.835
  182   2HD   LYS  24          HD3       LYS  24  -8.591  -6.316  14.167
  183   1HE   LYS  24          HE2       LYS  24  -8.459  -3.644  12.692
  184   2HE   LYS  24          HE3       LYS  24  -8.518  -3.744  14.451
  185   1HZ   LYS  24          HZ1       LYS  24  -6.505  -5.126  14.364
  186   2HZ   LYS  24          HZ2       LYS  24  -6.406  -4.904  12.735
  187   3HZ   LYS  24          HZ3       LYS  24  -6.264  -3.638  13.751
  188    H    GLY  25           H        GLY  25  -9.073  -8.213   8.941
  189   1HA   GLY  25          HA2       GLY  25  -9.416 -10.465   9.442
  190   2HA   GLY  25          HA3       GLY  25 -11.006 -10.109  10.112
  191    H    GLN  26           H        GLN  26 -10.987  -8.529   7.105
  192    HA   GLN  26           HA       GLN  26 -12.557 -10.599   5.791
  193   1HB   GLN  26          HB2       GLN  26 -12.854  -8.067   5.484
  194   2HB   GLN  26          HB3       GLN  26 -11.298  -8.065   4.644
  195   1HG   GLN  26          HG2       GLN  26 -12.526  -9.986   3.178
  196   2HG   GLN  26          HG3       GLN  26 -13.964  -9.190   3.785
  197   1HE2  GLN  26          HE22      GLN  26 -11.307  -9.058   1.539
  198   2HE2  GLN  26          HE21      GLN  26 -11.724  -7.517   0.807
  199    H    GLU  27           H        GLU  27 -11.746 -11.985   4.180
  200    HA   GLU  27           HA       GLU  27  -8.908 -12.494   3.949
  201   1HB   GLU  27          HB2       GLU  27 -10.731 -14.165   3.617
  202   2HB   GLU  27          HB3       GLU  27 -11.194 -13.342   2.124
  203   1HG   GLU  27          HG2       GLU  27  -9.012 -13.863   1.124
  204   2HG   GLU  27          HG3       GLU  27  -8.435 -14.526   2.656
  205    H    VAL  28           H        VAL  28  -7.423 -11.466   2.687
  206    HA   VAL  28           HA       VAL  28  -8.380  -9.844   0.385
  207    HB   VAL  28           HB       VAL  28  -6.474  -8.332   0.861
  208   1HG1  VAL  28          HG11      VAL  28  -8.826  -7.865   1.641
  209   2HG1  VAL  28          HG12      VAL  28  -8.412  -8.572   3.202
  210   3HG1  VAL  28          HG13      VAL  28  -7.570  -7.111   2.638
  211   1HG2  VAL  28          HG21      VAL  28  -5.056  -9.834   2.266
  212   2HG2  VAL  28          HG22      VAL  28  -5.414  -8.295   3.066
  213   3HG2  VAL  28          HG23      VAL  28  -6.286  -9.756   3.548
  214    H    ALA  29           H        ALA  29  -6.097 -12.359   1.512
  215    HA   ALA  29           HA       ALA  29  -5.717 -13.030  -1.262
  216   1HB   ALA  29          HB1       ALA  29  -3.914 -11.336  -1.050
  217   2HB   ALA  29          HB2       ALA  29  -3.253 -12.194   0.352
  218   3HB   ALA  29          HB3       ALA  29  -3.250 -12.956  -1.246
  219    H    ILE  30           H        ILE  30  -4.078 -15.000  -1.265
  220    HA   ILE  30           HA       ILE  30  -4.195 -16.568   1.272
  221    HB   ILE  30           HB       ILE  30  -4.954 -17.729  -1.452
  222   1HG1  ILE  30          HG12      ILE  30  -6.779 -17.126   0.921
  223   2HG1  ILE  30          HG13      ILE  30  -6.801 -16.323  -0.651
  224   1HG2  ILE  30          HG21      ILE  30  -5.448 -19.784  -0.140
  225   2HG2  ILE  30          HG22      ILE  30  -3.783 -19.311   0.043
  226   3HG2  ILE  30          HG23      ILE  30  -4.927 -18.952   1.350
  227   1HD1  ILE  30          HD11      ILE  30  -7.607 -19.180  -0.061
  228   2HD1  ILE  30          HD12      ILE  30  -8.582 -17.858  -0.722
  229   3HD1  ILE  30          HD13      ILE  30  -7.287 -18.584  -1.706
  230    H    LEU  31           H        LEU  31  -2.364 -17.808   1.490
  231    HA   LEU  31           HA       LEU  31  -0.176 -17.649  -0.521
  232   1HB   LEU  31          HB2       LEU  31  -0.326 -18.383   2.423
  233   2HB   LEU  31          HB3       LEU  31   1.097 -18.733   1.477
  234    HG   LEU  31           HG       LEU  31  -0.034 -15.956   1.966
  235   1HD1  LEU  31          HD11      LEU  31   1.936 -15.741   3.466
  236   2HD1  LEU  31          HD12      LEU  31   0.940 -17.098   3.974
  237   3HD1  LEU  31          HD13      LEU  31   2.438 -17.393   3.067
  238   1HD2  LEU  31          HD21      LEU  31   2.149 -15.186   1.053
  239   2HD2  LEU  31          HD22      LEU  31   2.497 -16.852   0.536
  240   3HD2  LEU  31          HD23      LEU  31   1.132 -15.952  -0.167
  241    H    GLU  32           H        GLU  32   0.206 -19.353  -1.611
  242    HA   GLU  32           HA       GLU  32  -0.172 -22.067  -0.528
  243   1HB   GLU  32          HB2       GLU  32  -0.377 -22.027  -2.938
  244   2HB   GLU  32          HB3       GLU  32   0.984 -20.932  -3.123
  245   1HG   GLU  32          HG2       GLU  32   1.609 -23.555  -1.796
  246   2HG   GLU  32          HG3       GLU  32   1.076 -23.641  -3.463
  247    H    SER  33           H        SER  33   1.597 -22.849   0.549
  248    HA   SER  33           HA       SER  33   4.094 -21.238   0.655
  249   1HB   SER  33          HB2       SER  33   2.192 -21.913   2.880
  250   2HB   SER  33          HB3       SER  33   3.936 -21.947   3.210
  251    HG   SER  33           HG       SER  33   4.088 -19.830   2.547
  252    H    MET  34           H        MET  34   4.688 -22.845  -0.878
  253    HA   MET  34           HA       MET  34   5.733 -24.716  -1.515
  254   1HB   MET  34          HB2       MET  34   6.609 -25.095   1.368
  255   2HB   MET  34          HB3       MET  34   7.441 -25.607  -0.104
  256   1HG   MET  34          HG2       MET  34   7.049 -22.781   0.932
  257   2HG   MET  34          HG3       MET  34   8.556 -23.675   0.823
  258   1HE   MET  34          HE1       MET  34   9.431 -21.261  -0.177
  259   2HE   MET  34          HE2       MET  34   8.752 -20.534  -1.651
  260   3HE   MET  34          HE3       MET  34   7.767 -20.634  -0.177
  261    H    LYS  35           H        BTL  35   3.110 -25.026  -1.209
  262    HA   LYS  35           HA       BTL  35   1.598 -26.547  -1.584
  263   1HB   LYS  35          HB2       BTL  35   3.342 -28.754  -0.439
  264   2HB   LYS  35          HB3       BTL  35   1.825 -28.936  -1.310
  265   1HG   LYS  35          HG2       BTL  35   2.817 -27.848  -3.307
  266   2HG   LYS  35          HG3       BTL  35   4.384 -27.770  -2.484
  267   1HD   LYS  35          HD2       BTL  35   4.382 -30.233  -2.234
  268   2HD   LYS  35          HD3       BTL  35   2.822 -30.320  -3.081
  269   1HE   LYS  35          HE2       BTL  35   5.323 -29.113  -4.337
  270   2HE   LYS  35          HE3       BTL  35   4.886 -30.825  -4.478
  271   1HZ   LYS  35          HZ1       BTL  35   2.811 -30.204  -5.534
  272    H    MET  36           H        MET  36   2.279 -25.197   1.219
  273    HA   MET  36           HA       MET  36   0.066 -26.516   2.718
  274   1HB   MET  36          HB2       MET  36   2.033 -24.366   3.603
  275   2HB   MET  36          HB3       MET  36   0.809 -25.148   4.599
  276   1HG   MET  36          HG2       MET  36   1.919 -27.332   4.286
  277   2HG   MET  36          HG3       MET  36   3.182 -26.566   3.322
  278   1HE   MET  36          HE1       MET  36   3.956 -23.895   4.808
  279   2HE   MET  36          HE2       MET  36   5.242 -24.507   5.867
  280   3HE   MET  36          HE3       MET  36   5.100 -25.112   4.201
  281    H    GLU  37           H        GLU  37  -1.409 -24.774   3.768
  282    HA   GLU  37           HA       GLU  37  -2.062 -22.670   1.760
  283   1HB   GLU  37          HB2       GLU  37  -4.432 -23.276   2.132
  284   2HB   GLU  37          HB3       GLU  37  -3.485 -24.541   1.339
  285   1HG   GLU  37          HG2       GLU  37  -3.363 -25.770   3.522
  286   2HG   GLU  37          HG3       GLU  37  -4.385 -24.528   4.250
  287    H    ILE  38           H        ILE  38  -2.366 -20.663   2.637
  288    HA   ILE  38           HA       ILE  38  -3.140 -20.464   5.493
  289    HB   ILE  38           HB       ILE  38  -0.833 -18.816   4.426
  290   1HG1  ILE  38          HG12      ILE  38  -0.473 -21.398   5.996
  291   2HG1  ILE  38          HG13      ILE  38  -0.076 -21.178   4.284
  292   1HG2  ILE  38          HG21      ILE  38  -0.428 -18.337   6.774
  293   2HG2  ILE  38          HG22      ILE  38  -2.121 -18.038   6.429
  294   3HG2  ILE  38          HG23      ILE  38  -1.652 -19.528   7.271
  295   1HD1  ILE  38          HD11      ILE  38   1.291 -19.800   6.598
  296   2HD1  ILE  38          HD12      ILE  38   1.940 -21.015   5.485
  297   3HD1  ILE  38          HD13      ILE  38   1.536 -19.398   4.876
  298    HA   PRO  39           HA       PRO  39  -5.457 -17.179   3.259
  299   1HB   PRO  39          HB2       PRO  39  -6.870 -16.159   5.398
  300   2HB   PRO  39          HB3       PRO  39  -7.343 -17.677   4.543
  301   1HG   PRO  39          HG2       PRO  39  -5.730 -17.336   7.072
  302   2HG   PRO  39          HG3       PRO  39  -7.101 -18.463   6.780
  303   1HD   PRO  39          HD2       PRO  39  -4.488 -19.240   6.654
  304   2HD   PRO  39          HD3       PRO  39  -5.718 -19.935   5.551
  305    H    ILE  40           H        ILE  40  -5.297 -14.876   3.242
  306    HA   ILE  40           HA       ILE  40  -3.607 -13.598   5.323
  307    HB   ILE  40           HB       ILE  40  -3.686 -12.806   2.401
  308   1HG1  ILE  40          HG12      ILE  40  -2.616 -14.962   2.373
  309   2HG1  ILE  40          HG13      ILE  40  -1.423 -13.721   2.096
  310   1HG2  ILE  40          HG21      ILE  40  -3.099 -11.001   3.960
  311   2HG2  ILE  40          HG22      ILE  40  -1.787 -11.985   4.638
  312   3HG2  ILE  40          HG23      ILE  40  -1.722 -11.440   2.949
  313   1HD1  ILE  40          HD11      ILE  40  -0.199 -14.385   3.883
  314   2HD1  ILE  40          HD12      ILE  40  -1.590 -14.423   4.968
  315   3HD1  ILE  40          HD13      ILE  40  -1.265 -15.816   3.928
  316    H    VAL  41           H        VAL  41  -4.827 -12.210   6.384
  317    HA   VAL  41           HA       VAL  41  -7.359 -11.263   5.167
  318    HB   VAL  41           HB       VAL  41  -8.123 -11.213   7.621
  319   1HG1  VAL  41          HG11      VAL  41  -8.772 -13.654   7.562
  320   2HG1  VAL  41          HG12      VAL  41  -9.143 -12.766   6.098
  321   3HG1  VAL  41          HG13      VAL  41  -7.734 -13.850   6.132
  322   1HG2  VAL  41          HG21      VAL  41  -7.138 -12.817   9.153
  323   2HG2  VAL  41          HG22      VAL  41  -6.025 -13.427   7.920
  324   3HG2  VAL  41          HG23      VAL  41  -5.815 -11.782   8.597
  325    H    ALA  42           H        ALA  42  -8.063  -9.201   5.776
  326    HA   ALA  42           HA       ALA  42  -6.082  -7.215   5.590
  327   1HB   ALA  42          HB1       ALA  42  -8.973  -7.027   6.523
  328   2HB   ALA  42          HB2       ALA  42  -7.982  -5.666   5.977
  329   3HB   ALA  42          HB3       ALA  42  -8.446  -6.942   4.839
  330    H    ASP  43           H        ASP  43  -4.708  -6.667   7.120
  331    HA   ASP  43           HA       ASP  43  -4.915  -7.210   9.886
  332   1HB   ASP  43          HB2       ASP  43  -2.797  -6.735   8.749
  333   2HB   ASP  43          HB3       ASP  43  -3.299  -5.064   8.464
  334    H    ARG  44           H        ARG  44  -6.366  -4.574   8.065
  335    HA   ARG  44           HA       ARG  44  -7.693  -3.518  10.409
  336   1HB   ARG  44          HB2       ARG  44  -6.809  -1.246  10.266
  337   2HB   ARG  44          HB3       ARG  44  -5.525  -2.393  10.610
  338   1HG   ARG  44          HG2       ARG  44  -4.990  -2.360   8.081
  339   2HG   ARG  44          HG3       ARG  44  -6.084  -0.974   7.974
  340   1HD   ARG  44          HD2       ARG  44  -3.615  -1.235   9.743
  341   2HD   ARG  44          HD3       ARG  44  -3.683  -0.314   8.241
  342    HE   ARG  44           HE       ARG  44  -4.525   0.495  10.869
  343   1HH1  ARG  44          HH11      ARG  44  -5.330   1.075   7.430
  344   2HH1  ARG  44          HH12      ARG  44  -5.978   2.660   7.763
  345   1HH2  ARG  44          HH21      ARG  44  -5.376   2.621  11.197
  346   2HH2  ARG  44          HH22      ARG  44  -5.977   3.512   9.828
  347    H    SER  45           H        SER  45  -8.840  -1.257   9.470
  348    HA   SER  45           HA       SER  45 -10.312  -2.284   7.083
  349   1HB   SER  45          HB2       SER  45 -11.373  -0.439   9.244
  350   2HB   SER  45          HB3       SER  45 -12.284  -1.366   8.044
  351    HG   SER  45           HG       SER  45 -10.812  -2.332  10.287
  352    H    GLY  46           H        GLY  46 -10.629  -0.878   5.337
  353   1HA   GLY  46          HA2       GLY  46 -10.622   1.873   5.333
  354   2HA   GLY  46          HA3       GLY  46  -8.905   1.461   5.210
  355    H    ILE  47           H        ILE  47  -9.363   2.707   3.142
  356    HA   ILE  47           HA       ILE  47 -10.448   1.058   0.933
  357    HB   ILE  47           HB       ILE  47  -9.298   3.873   1.102
  358   1HG1  ILE  47          HG12      ILE  47 -11.582   3.672   2.020
  359   2HG1  ILE  47          HG13      ILE  47 -11.508   4.682   0.590
  360   1HG2  ILE  47          HG21      ILE  47 -10.245   2.376  -1.367
  361   2HG2  ILE  47          HG22      ILE  47 -10.058   4.143  -1.285
  362   3HG2  ILE  47          HG23      ILE  47  -8.653   3.102  -1.067
  363   1HD1  ILE  47          HD11      ILE  47 -12.497   1.795   0.626
  364   2HD1  ILE  47          HD12      ILE  47 -13.507   3.250   0.593
  365   3HD1  ILE  47          HD13      ILE  47 -12.472   2.870  -0.790
  366    H    VAL  48           H        VAL  48  -9.058   0.119  -0.598
  367    HA   VAL  48           HA       VAL  48  -6.245  -0.248   0.150
  368    HB   VAL  48           HB       VAL  48  -7.872  -1.148  -2.253
  369   1HG1  VAL  48          HG11      VAL  48  -5.996  -2.793  -2.575
  370   2HG1  VAL  48          HG12      VAL  48  -5.488  -1.126  -2.830
  371   3HG1  VAL  48          HG13      VAL  48  -5.073  -1.934  -1.311
  372   1HG2  VAL  48          HG21      VAL  48  -8.694  -2.189  -0.179
  373   2HG2  VAL  48          HG22      VAL  48  -7.854  -3.378  -1.169
  374   3HG2  VAL  48          HG23      VAL  48  -7.040  -2.677   0.250
  375    H    LYS  49           H        LYS  49  -4.655   1.143  -0.486
  376    HA   LYS  49           HA       LYS  49  -5.185   3.216  -2.512
  377   1HB   LYS  49          HB2       LYS  49  -3.805   3.553  -0.352
  378   2HB   LYS  49          HB3       LYS  49  -2.560   2.566  -1.096
  379   1HG   LYS  49          HG2       LYS  49  -2.651   4.206  -3.083
  380   2HG   LYS  49          HG3       LYS  49  -3.666   5.229  -2.077
  381   1HD   LYS  49          HD2       LYS  49  -0.786   4.386  -1.623
  382   2HD   LYS  49          HD3       LYS  49  -1.368   6.007  -1.965
  383   1HE   LYS  49          HE2       LYS  49  -1.859   4.439   0.608
  384   2HE   LYS  49          HE3       LYS  49  -0.640   5.691   0.381
  385   1HZ   LYS  49          HZ1       LYS  49  -2.465   7.268  -0.034
  386   2HZ   LYS  49          HZ2       LYS  49  -3.570   6.086   0.280
  387   3HZ   LYS  49          HZ3       LYS  49  -2.557   6.591   1.451
  388    H    GLU  50           H        GLU  50  -3.102   0.248  -2.005
  389    HA   GLU  50           HA       GLU  50  -3.158  -0.225  -4.883
  390   1HB   GLU  50          HB2       GLU  50  -1.287   1.463  -4.555
  391   2HB   GLU  50          HB3       GLU  50  -0.511   0.339  -3.453
  392   1HG   GLU  50          HG2       GLU  50   0.501   0.336  -5.695
  393   2HG   GLU  50          HG3       GLU  50  -0.099  -1.242  -5.234
  394    H    VAL  51           H        VAL  51  -2.347  -2.347  -5.393
  395    HA   VAL  51           HA       VAL  51  -1.995  -4.167  -3.048
  396    HB   VAL  51           HB       VAL  51  -2.669  -5.037  -5.878
  397   1HG1  VAL  51          HG11      VAL  51  -3.063  -6.382  -3.159
  398   2HG1  VAL  51          HG12      VAL  51  -3.359  -7.089  -4.759
  399   3HG1  VAL  51          HG13      VAL  51  -1.712  -6.705  -4.253
  400   1HG2  VAL  51          HG21      VAL  51  -5.013  -5.353  -5.152
  401   2HG2  VAL  51          HG22      VAL  51  -4.670  -4.477  -3.647
  402   3HG2  VAL  51          HG23      VAL  51  -4.576  -3.645  -5.215
  403    H    LYS  52           H        LYS  52   0.070  -4.806  -2.738
  404    HA   LYS  52           HA       LYS  52   2.061  -3.762  -4.637
  405   1HB   LYS  52          HB2       LYS  52   2.477  -4.991  -1.889
  406   2HB   LYS  52          HB3       LYS  52   3.578  -3.955  -2.784
  407   1HG   LYS  52          HG2       LYS  52   0.914  -3.105  -1.567
  408   2HG   LYS  52          HG3       LYS  52   2.497  -2.766  -0.902
  409   1HD   LYS  52          HD2       LYS  52   1.643  -1.747  -3.650
  410   2HD   LYS  52          HD3       LYS  52   1.273  -0.905  -2.154
  411   1HE   LYS  52          HE2       LYS  52   3.761  -0.953  -1.602
  412   2HE   LYS  52          HE3       LYS  52   4.042  -1.526  -3.252
  413   1HZ   LYS  52          HZ1       LYS  52   2.978   0.534  -4.039
  414   2HZ   LYS  52          HZ2       LYS  52   2.745   1.049  -2.489
  415   3HZ   LYS  52          HZ3       LYS  52   4.256   0.874  -3.088
  416    H    LYS  53           H        LYS  53   0.452  -6.485  -4.809
  417    HA   LYS  53           HA       LYS  53   2.537  -8.083  -6.033
  418   1HB   LYS  53          HB2       LYS  53   0.914  -9.148  -3.661
  419   2HB   LYS  53          HB3       LYS  53   1.902 -10.156  -4.733
  420   1HG   LYS  53          HG2       LYS  53   3.000  -7.996  -2.902
  421   2HG   LYS  53          HG3       LYS  53   2.970  -9.715  -2.561
  422   1HD   LYS  53          HD2       LYS  53   4.364 -10.201  -4.535
  423   2HD   LYS  53          HD3       LYS  53   4.399  -8.493  -4.976
  424   1HE   LYS  53          HE2       LYS  53   5.623  -9.775  -2.519
  425   2HE   LYS  53          HE3       LYS  53   6.470  -9.106  -3.909
  426   1HZ   LYS  53          HZ1       LYS  53   5.601  -6.918  -3.276
  427   2HZ   LYS  53          HZ2       LYS  53   4.849  -7.584  -1.957
  428   3HZ   LYS  53          HZ3       LYS  53   6.474  -7.617  -2.037
  429    H    LYS  54           H        LYS  54   1.184 -10.279  -6.734
  430    HA   LYS  54           HA       LYS  54  -1.636  -9.697  -7.265
  431   1HB   LYS  54          HB2       LYS  54  -1.514 -10.148  -9.625
  432   2HB   LYS  54          HB3       LYS  54  -0.457  -8.782  -9.280
  433   1HG   LYS  54          HG2       LYS  54   1.534 -10.188  -9.464
  434   2HG   LYS  54          HG3       LYS  54   0.556 -11.650  -9.534
  435   1HD   LYS  54          HD2       LYS  54  -0.501 -10.624 -11.695
  436   2HD   LYS  54          HD3       LYS  54   0.885  -9.526 -11.651
  437   1HE   LYS  54          HE2       LYS  54   1.562 -11.332 -13.040
  438   2HE   LYS  54          HE3       LYS  54   2.378 -11.602 -11.497
  439   1HZ   LYS  54          HZ1       LYS  54  -0.057 -12.989 -12.470
  440   2HZ   LYS  54          HZ2       LYS  54   1.420 -13.644 -12.291
  441   3HZ   LYS  54          HZ3       LYS  54   0.549 -13.218 -10.969
  442    H    GLU  55           H        GLU  55  -2.698 -11.743  -8.166
  443    HA   GLU  55           HA       GLU  55  -2.197 -14.082  -6.840
  444   1HB   GLU  55          HB2       GLU  55  -3.179 -13.876  -9.719
  445   2HB   GLU  55          HB3       GLU  55  -3.327 -15.270  -8.653
  446   1HG   GLU  55          HG2       GLU  55  -5.378 -14.437  -8.266
  447   2HG   GLU  55          HG3       GLU  55  -4.526 -13.506  -7.053
  448    H    GLY  56           H        GLY  56  -0.617 -15.516  -6.764
  449   1HA   GLY  56          HA2       GLY  56   0.816 -17.137  -7.524
  450   2HA   GLY  56          HA3       GLY  56   0.670 -16.512  -9.174
  451    H    ASP  57           H        ASP  57   1.466 -13.820  -7.279
  452    HA   ASP  57           HA       ASP  57   4.204 -13.837  -8.219
  453   1HB   ASP  57          HB2       ASP  57   2.692 -11.797  -7.799
  454   2HB   ASP  57          HB3       ASP  57   3.087 -11.990  -6.091
  455    H    PHE  58           H        PHE  58   6.070 -13.671  -6.755
  456    HA   PHE  58           HA       PHE  58   6.001 -15.806  -4.692
  457   1HB   PHE  58          HB2       PHE  58   7.855 -15.786  -6.316
  458   2HB   PHE  58          HB3       PHE  58   8.267 -14.137  -5.855
  459    HD1  PHE  58           HD1      PHE  58   8.049 -17.652  -4.567
  460    HD2  PHE  58           HD2      PHE  58   9.694 -13.707  -3.964
  461    HE1  PHE  58           HE1      PHE  58   9.542 -18.540  -2.797
  462    HE2  PHE  58           HE2      PHE  58  11.178 -14.602  -2.188
  463    HZ   PHE  58           HZ       PHE  58  11.118 -17.021  -1.613
  464    H    VAL  59           H        VAL  59   6.360 -15.355  -2.482
  465    HA   VAL  59           HA       VAL  59   6.613 -12.552  -1.609
  466    HB   VAL  59           HB       VAL  59   4.604 -13.024  -0.090
  467   1HG1  VAL  59          HG11      VAL  59   4.583 -11.325  -1.822
  468   2HG1  VAL  59          HG12      VAL  59   4.013 -12.517  -3.022
  469   3HG1  VAL  59          HG13      VAL  59   2.997 -12.079  -1.638
  470   1HG2  VAL  59          HG21      VAL  59   4.219 -15.399  -0.615
  471   2HG2  VAL  59          HG22      VAL  59   2.801 -14.409  -1.019
  472   3HG2  VAL  59          HG23      VAL  59   3.854 -14.981  -2.308
  473    H    ASN  60           H        ASN  60   6.906 -12.409   0.780
  474    HA   ASN  60           HA       ASN  60   7.742 -14.862   2.080
  475   1HB   ASN  60          HB2       ASN  60   9.678 -13.327   0.601
  476   2HB   ASN  60          HB3       ASN  60   9.986 -13.030   2.305
  477   1HD2  ASN  60          HD22      ASN  60   9.107 -15.794   0.124
  478   2HD2  ASN  60          HD21      ASN  60  10.220 -16.928   0.858
  479    H    GLU  61           H        GLU  61   8.712 -14.383   4.290
  480    HA   GLU  61           HA       GLU  61   6.825 -12.919   5.808
  481   1HB   GLU  61          HB2       GLU  61   8.274 -14.787   6.619
  482   2HB   GLU  61          HB3       GLU  61   9.682 -13.720   6.522
  483   1HG   GLU  61          HG2       GLU  61   8.530 -12.176   8.166
  484   2HG   GLU  61          HG3       GLU  61   7.230 -13.360   8.293
  485    H    GLY  62           H        GLY  62   6.534 -10.774   5.969
  486   1HA   GLY  62          HA2       GLY  62   7.088  -8.612   6.534
  487   2HA   GLY  62          HA3       GLY  62   8.801  -8.928   6.229
  488    H    ASP  63           H        ASP  63   7.124 -10.131   3.526
  489    HA   ASP  63           HA       ASP  63   7.995  -7.861   1.900
  490   1HB   ASP  63          HB2       ASP  63   8.331 -10.277   1.292
  491   2HB   ASP  63          HB3       ASP  63   6.576 -10.435   1.123
  492    H    VAL  64           H        VAL  64   6.613  -6.361   0.991
  493    HA   VAL  64           HA       VAL  64   4.170  -5.833   2.307
  494    HB   VAL  64           HB       VAL  64   3.895  -4.076   0.540
  495   1HG1  VAL  64          HG11      VAL  64   5.726  -2.701   1.319
  496   2HG1  VAL  64          HG12      VAL  64   5.073  -3.667   2.651
  497   3HG1  VAL  64          HG13      VAL  64   6.615  -4.133   1.895
  498   1HG2  VAL  64          HG21      VAL  64   5.046  -5.214  -1.351
  499   2HG2  VAL  64          HG22      VAL  64   5.686  -3.597  -1.033
  500   3HG2  VAL  64          HG23      VAL  64   6.601  -5.021  -0.511
  501    H    LEU  65           H        LEU  65   2.039  -5.775   1.614
  502    HA   LEU  65           HA       LEU  65   1.318  -7.517  -0.705
  503   1HB   LEU  65          HB2       LEU  65   1.160  -8.680   1.477
  504   2HB   LEU  65          HB3       LEU  65   0.074  -7.457   2.086
  505    HG   LEU  65           HG       LEU  65  -0.888  -9.680   1.376
  506   1HD1  LEU  65          HD11      LEU  65  -2.251  -7.351   0.021
  507   2HD1  LEU  65          HD12      LEU  65  -2.969  -8.867   0.570
  508   3HD1  LEU  65          HD13      LEU  65  -2.335  -7.735   1.766
  509   1HD2  LEU  65          HD21      LEU  65  -0.664  -8.612  -1.460
  510   2HD2  LEU  65          HD22      LEU  65   0.351  -9.903  -0.777
  511   3HD2  LEU  65          HD23      LEU  65  -1.405 -10.124  -0.912
  512    H    LEU  66           H        LEU  66   0.311  -4.825   1.524
  513    HA   LEU  66           HA       LEU  66  -1.459  -3.798  -0.610
  514   1HB   LEU  66          HB2       LEU  66  -2.423  -5.483   1.338
  515   2HB   LEU  66          HB3       LEU  66  -2.500  -3.972   2.210
  516    HG   LEU  66           HG       LEU  66  -4.094  -3.062   0.651
  517   1HD1  LEU  66          HD11      LEU  66  -3.429  -3.857  -1.497
  518   2HD1  LEU  66          HD12      LEU  66  -3.549  -5.559  -1.000
  519   3HD1  LEU  66          HD13      LEU  66  -5.006  -4.548  -1.200
  520   1HD2  LEU  66          HD21      LEU  66  -4.731  -5.991   1.295
  521   2HD2  LEU  66          HD22      LEU  66  -4.906  -4.631   2.420
  522   3HD2  LEU  66          HD23      LEU  66  -5.913  -4.717   0.961
  523    H    GLU  67           H        GLU  67  -1.737  -1.606  -0.492
  524    HA   GLU  67           HA       GLU  67  -0.625  -0.136   1.840
  525   1HB   GLU  67          HB2       GLU  67   0.804   0.050  -0.174
  526   2HB   GLU  67          HB3       GLU  67  -0.571   0.687  -1.093
  527   1HG   GLU  67          HG2       GLU  67  -0.675   2.642   0.375
  528   2HG   GLU  67          HG3       GLU  67   0.566   1.963   1.429
  529    H    LEU  68           H        LEU  68  -2.031   1.445   2.606
  530    HA   LEU  68           HA       LEU  68  -4.793   1.267   1.478
  531   1HB   LEU  68          HB2       LEU  68  -3.975   1.462   4.383
  532   2HB   LEU  68          HB3       LEU  68  -5.606   1.316   3.760
  533    HG   LEU  68           HG       LEU  68  -3.466  -0.836   3.615
  534   1HD1  LEU  68          HD11      LEU  68  -4.444  -0.517   5.857
  535   2HD1  LEU  68          HD12      LEU  68  -6.079  -0.710   5.178
  536   3HD1  LEU  68          HD13      LEU  68  -4.927  -2.064   5.157
  537   1HD2  LEU  68          HD21      LEU  68  -5.258  -2.307   2.767
  538   2HD2  LEU  68          HD22      LEU  68  -6.346  -0.906   2.623
  539   3HD2  LEU  68          HD23      LEU  68  -4.868  -1.027   1.636
  540    H    SER  69           H        SER  69  -6.226   2.884   2.197
  541    HA   SER  69           HA       SER  69  -5.220   5.607   2.715
  542   1HB   SER  69          HB2       SER  69  -7.096   4.672   0.501
  543   2HB   SER  69          HB3       SER  69  -6.927   6.366   0.993
  544    HG   SER  69           HG       SER  69  -5.651   5.792  -0.816
  545    H    ASN  70           H        ASN  70  -7.202   6.945   3.367
  546    HA   ASN  70           HA       ASN  70  -8.884   7.251   4.914
  547   1HB   ASN  70          HB2       ASN  70  -9.697   7.506   2.573
  548   2HB   ASN  70          HB3       ASN  70 -10.335   5.867   2.636
  549   1HD2  ASN  70          HD22      ASN  70 -11.988   5.442   4.435
  550   2HD2  ASN  70          HD21      ASN  70 -13.091   6.753   4.827
  551    H    SER  71           H        SER  71  -8.034   5.720   6.552
  552    HA   SER  71           HA       SER  71  -8.961   3.101   6.930
  553   1HB   SER  71          HB2       SER  71  -8.472   5.162   9.114
  554   2HB   SER  71          HB3       SER  71  -8.338   3.401   9.232
  555    HG   SER  71           HG       SER  71  -6.582   5.272   8.110
  556    H    THR  72           H        THR  72 -10.782   2.214   8.018
  557    HA   THR  72           HA       THR  72 -13.036   4.110   8.528
  558    HB   THR  72           HB       THR  72 -14.458   2.165   7.745
  559    HG1  THR  72           HG1      THR  72 -13.387   0.413   7.394
  560   1HG2  THR  72          HG21      THR  72 -14.204   2.687   5.415
  561   2HG2  THR  72          HG22      THR  72 -13.898   4.170   6.327
  562   3HG2  THR  72          HG23      THR  72 -12.536   3.250   5.649
  563    H    GLN  73           H        GLN  73 -10.996   1.912  10.139
  564    HA   GLN  73           HA       GLN  73 -12.647   2.173  12.508
  565   1HB   GLN  73          HB2       GLN  73 -11.615  -0.574  11.648
  566   2HB   GLN  73          HB3       GLN  73 -12.291  -0.163  13.218
  567   1HG   GLN  73          HG2       GLN  73 -14.457   0.455  12.057
  568   2HG   GLN  73          HG3       GLN  73 -13.781  -0.224  10.568
  569   1HE2  GLN  73          HE22      GLN  73 -13.093  -2.579  10.660
  570   2HE2  GLN  73          HE21      GLN  73 -13.998  -3.653  11.711
  571    HN3  BTI 135           HN3      BTL  35  -4.523 -25.677  -2.034
  572    HN2  BTI 135           HN2      BTL  35  -2.699 -24.937  -5.538
  573    H4   BTI 135           H4       BTL  35  -1.330 -23.962  -3.629
  574    H2   BTI 135           H2       BTL  35   0.245 -25.739  -3.329
  575    H62  BTI 135           H62      BTL  35  -0.961 -26.283  -1.077
  576    H63  BTI 135           H63      BTL  35  -2.538 -27.106  -1.096
  577    H5   BTI 135           H5       BTL  35  -2.353 -24.443  -1.583
  578    H72  BTI 135           H72      BTL  35  -1.050 -26.606  -5.915
  579    H73  BTI 135           H73      BTL  35  -0.037 -25.153  -5.738
  580    H82  BTI 135           H82      BTL  35   1.838 -26.520  -4.933
  581    H83  BTI 135           H83      BTL  35   0.832 -27.973  -5.012
  582    H92  BTI 135           H92      BTL  35   0.540 -27.380  -7.531
  583    H93  BTI 135           H93      BTL  35   1.890 -26.259  -7.296
  584   H102  BTI 135          H102      BTL  35   1.814 -29.281  -7.136
  585   H103  BTI 135          H103      BTL  35   2.808 -28.279  -8.186
  Start of MODEL   13
    1   1H    THR   2           H1       THR   2  -0.046  -0.167   6.589
    2   2H    THR   2           H2       THR   2   0.050   0.831   5.290
    3   3H    THR   2           H3       THR   2  -1.306  -0.083   5.546
    4    HA   THR   2           HA       THR   2  -0.050  -1.100   3.816
    5    HB   THR   2           HB       THR   2   2.275  -1.021   5.778
    6    HG1  THR   2           HG1      THR   2   2.994   0.670   4.524
    7   1HG2  THR   2          HG21      THR   2   2.283  -1.627   2.784
    8   2HG2  THR   2          HG22      THR   2   3.692  -1.552   3.857
    9   3HG2  THR   2          HG23      THR   2   2.506  -2.841   4.068
   10    H    VAL   3           H        VAL   3   0.027  -3.409   3.629
   11    HA   VAL   3           HA       VAL   3  -0.069  -4.973   6.133
   12    HB   VAL   3           HB       VAL   3  -1.725  -5.920   3.797
   13   1HG1  VAL   3          HG11      VAL   3  -1.228  -7.499   5.587
   14   2HG1  VAL   3          HG12      VAL   3  -1.887  -6.367   6.789
   15   3HG1  VAL   3          HG13      VAL   3  -2.950  -7.116   5.577
   16   1HG2  VAL   3          HG21      VAL   3  -3.808  -5.059   4.791
   17   2HG2  VAL   3          HG22      VAL   3  -2.866  -4.120   5.979
   18   3HG2  VAL   3          HG23      VAL   3  -2.783  -3.734   4.243
   19    H    SER   4           H        SER   4   1.003  -7.023   5.814
   20    HA   SER   4           HA       SER   4   2.569  -7.345   3.323
   21   1HB   SER   4          HB2       SER   4   3.748  -7.198   6.127
   22   2HB   SER   4          HB3       SER   4   4.647  -7.487   4.637
   23    HG   SER   4           HG       SER   4   4.739  -5.286   5.381
   24    H    ILE   5           H        ILE   5   3.692  -9.395   3.337
   25    HA   ILE   5           HA       ILE   5   2.073 -11.574   4.428
   26    HB   ILE   5           HB       ILE   5   4.493 -11.423   2.566
   27   1HG1  ILE   5          HG12      ILE   5   2.649 -10.424   1.437
   28   2HG1  ILE   5          HG13      ILE   5   2.808 -12.039   0.797
   29   1HG2  ILE   5          HG21      ILE   5   2.779 -13.789   3.369
   30   2HG2  ILE   5          HG22      ILE   5   3.846 -13.790   1.951
   31   3HG2  ILE   5          HG23      ILE   5   4.541 -13.580   3.544
   32   1HD1  ILE   5          HD11      ILE   5   0.710 -11.091   2.768
   33   2HD1  ILE   5          HD12      ILE   5   0.477 -11.571   1.082
   34   3HD1  ILE   5          HD13      ILE   5   0.919 -12.795   2.282
   35    H    GLN   6           H        GLN   6   3.020 -13.301   5.613
   36    HA   GLN   6           HA       GLN   6   5.122 -12.446   7.541
   37   1HB   GLN   6          HB2       GLN   6   3.758 -13.222   9.320
   38   2HB   GLN   6          HB3       GLN   6   2.762 -12.153   8.347
   39   1HG   GLN   6          HG2       GLN   6   2.657 -15.218   8.322
   40   2HG   GLN   6          HG3       GLN   6   1.536 -14.151   9.149
   41   1HE2  GLN   6          HE22      GLN   6  -0.102 -13.056   7.913
   42   2HE2  GLN   6          HE21      GLN   6  -0.389 -13.451   6.233
   43    H    MET   7           H        MET   7   4.442 -14.707   5.175
   44    HA   MET   7           HA       MET   7   6.226 -16.730   6.363
   45   1HB   MET   7          HB2       MET   7   4.013 -17.411   7.095
   46   2HB   MET   7          HB3       MET   7   3.337 -17.165   5.485
   47   1HG   MET   7          HG2       MET   7   3.681 -19.531   6.074
   48   2HG   MET   7          HG3       MET   7   4.500 -19.038   4.601
   49   1HE   MET   7          HE1       MET   7   5.054 -21.765   5.755
   50   2HE   MET   7          HE2       MET   7   5.956 -21.080   4.386
   51   3HE   MET   7          HE3       MET   7   6.833 -21.849   5.729
   52    H    ALA   8           H        ALA   8   7.253 -17.962   4.787
   53    HA   ALA   8           HA       ALA   8   7.666 -16.815   2.186
   54   1HB   ALA   8          HB1       ALA   8   8.497 -19.474   3.400
   55   2HB   ALA   8          HB2       ALA   8   9.103 -18.798   1.874
   56   3HB   ALA   8          HB3       ALA   8   9.439 -17.953   3.404
   57    H    GLY   9           H        GLY   9   6.733 -17.300   0.248
   58   1HA   GLY   9          HA2       GLY   9   5.469 -19.748  -0.401
   59   2HA   GLY   9          HA3       GLY   9   4.254 -18.694   0.322
   60    H    ASN  10           H        ASN  10   3.188 -18.888  -1.648
   61    HA   ASN  10           HA       ASN  10   4.019 -16.950  -3.744
   62   1HB   ASN  10          HB2       ASN  10   2.892 -19.751  -4.198
   63   2HB   ASN  10          HB3       ASN  10   3.084 -18.515  -5.440
   64   1HD2  ASN  10          HD21      ASN  10   4.769 -20.913  -3.459
   65   2HD2  ASN  10          HD22      ASN  10   6.352 -20.666  -4.172
   66    H    LEU  11           H        LEU  11   2.293 -15.655  -4.247
   67    HA   LEU  11           HA       LEU  11   0.115 -15.727  -2.353
   68   1HB   LEU  11          HB2       LEU  11   1.559 -13.736  -3.133
   69   2HB   LEU  11          HB3       LEU  11   0.603 -13.747  -4.596
   70    HG   LEU  11           HG       LEU  11  -1.473 -13.425  -3.162
   71   1HD1  LEU  11          HD11      LEU  11   0.633 -13.197  -0.954
   72   2HD1  LEU  11          HD12      LEU  11  -0.993 -12.528  -0.807
   73   3HD1  LEU  11          HD13      LEU  11  -0.786 -14.269  -0.992
   74   1HD2  LEU  11          HD21      LEU  11  -1.015 -11.054  -2.752
   75   2HD2  LEU  11          HD22      LEU  11   0.737 -11.357  -2.787
   76   3HD2  LEU  11          HD23      LEU  11  -0.245 -11.553  -4.260
   77    H    TRP  12           H        TRP  12  -0.538 -17.808  -3.346
   78    HA   TRP  12           HA       TRP  12  -1.576 -18.620  -5.623
   79   1HB   TRP  12          HB2       TRP  12  -1.504 -19.942  -3.672
   80   2HB   TRP  12          HB3       TRP  12  -2.566 -18.872  -2.785
   81    HD1  TRP  12           HD1      TRP  12  -4.222 -19.880  -5.998
   82    HE1  TRP  12           HE1      TRP  12  -6.005 -21.628  -5.506
   83    HE3  TRP  12           HE3      TRP  12  -2.862 -21.076  -1.231
   84    HZ2  TRP  12           HZ2      TRP  12  -6.955 -23.115  -3.189
   85    HZ3  TRP  12           HZ3      TRP  12  -4.243 -22.589   0.123
   86    HH2  TRP  12           HH2      TRP  12  -6.309 -23.612  -0.832
   87    H    LYS  13           H        LYS  13  -3.602 -16.487  -3.480
   88    HA   LYS  13           HA       LYS  13  -4.927 -15.568  -5.930
   89   1HB   LYS  13          HB2       LYS  13  -6.516 -16.760  -3.617
   90   2HB   LYS  13          HB3       LYS  13  -7.196 -15.680  -4.844
   91   1HG   LYS  13          HG2       LYS  13  -6.443 -17.285  -6.628
   92   2HG   LYS  13          HG3       LYS  13  -6.020 -18.422  -5.346
   93   1HD   LYS  13          HD2       LYS  13  -8.798 -17.313  -5.902
   94   2HD   LYS  13          HD3       LYS  13  -8.202 -18.918  -6.344
   95   1HE   LYS  13          HE2       LYS  13  -7.796 -19.402  -3.914
   96   2HE   LYS  13          HE3       LYS  13  -8.521 -17.841  -3.507
   97   1HZ   LYS  13          HZ1       LYS  13 -10.136 -19.635  -3.334
   98   2HZ   LYS  13          HZ2       LYS  13 -10.598 -18.632  -4.531
   99   3HZ   LYS  13          HZ3       LYS  13  -9.915 -20.073  -4.884
  100    H    VAL  14           H        VAL  14  -6.215 -13.637  -5.522
  101    HA   VAL  14           HA       VAL  14  -5.526 -12.042  -3.159
  102    HB   VAL  14           HB       VAL  14  -4.947 -11.245  -6.049
  103   1HG1  VAL  14          HG11      VAL  14  -4.160  -9.093  -5.123
  104   2HG1  VAL  14          HG12      VAL  14  -5.884  -9.306  -4.872
  105   3HG1  VAL  14          HG13      VAL  14  -4.752  -9.563  -3.513
  106   1HG2  VAL  14          HG21      VAL  14  -3.108 -12.568  -5.114
  107   2HG2  VAL  14          HG22      VAL  14  -2.620 -10.873  -5.158
  108   3HG2  VAL  14          HG23      VAL  14  -3.139 -11.604  -3.625
  109    H    HIS  15           H        HIS  15  -7.141 -10.603  -2.766
  110    HA   HIS  15           HA       HIS  15  -9.668 -10.811  -4.337
  111   1HB   HIS  15          HB2       HIS  15  -9.397 -11.168  -1.323
  112   2HB   HIS  15          HB3       HIS  15 -10.874 -11.307  -2.276
  113    HD1  HIS  15           HD1      HIS  15 -10.696 -13.448  -4.222
  114    HD2  HIS  15           HD2      HIS  15  -8.040 -13.371  -0.962
  115    HE1  HIS  15           HE1      HIS  15  -9.631 -15.760  -4.101
  116    H    VAL  16           H        VAL  16  -7.504  -8.720  -3.812
  117    HA   VAL  16           HA       VAL  16  -9.297  -6.457  -3.142
  118    HB   VAL  16           HB       VAL  16  -7.147  -5.352  -2.286
  119   1HG1  VAL  16          HG11      VAL  16  -7.449  -6.209  -0.035
  120   2HG1  VAL  16          HG12      VAL  16  -9.014  -6.061  -0.851
  121   3HG1  VAL  16          HG13      VAL  16  -8.273  -7.661  -0.670
  122   1HG2  VAL  16          HG21      VAL  16  -6.167  -8.224  -1.956
  123   2HG2  VAL  16          HG22      VAL  16  -5.516  -7.056  -3.123
  124   3HG2  VAL  16          HG23      VAL  16  -5.369  -6.768  -1.387
  125    H    LYS  17           H        LYS  17  -8.595  -4.448  -4.159
  126    HA   LYS  17           HA       LYS  17  -6.576  -4.489  -6.217
  127   1HB   LYS  17          HB2       LYS  17  -8.152  -3.501  -7.928
  128   2HB   LYS  17          HB3       LYS  17  -8.295  -5.249  -7.684
  129   1HG   LYS  17          HG2       LYS  17 -10.309  -4.941  -6.328
  130   2HG   LYS  17          HG3       LYS  17 -10.125  -3.172  -6.414
  131   1HD   LYS  17          HD2       LYS  17 -10.360  -3.322  -8.918
  132   2HD   LYS  17          HD3       LYS  17 -10.709  -5.059  -8.735
  133   1HE   LYS  17          HE2       LYS  17 -12.615  -4.480  -7.226
  134   2HE   LYS  17          HE3       LYS  17 -12.252  -2.763  -7.445
  135   1HZ   LYS  17          HZ1       LYS  17 -13.093  -4.613  -9.605
  136   2HZ   LYS  17          HZ2       LYS  17 -14.036  -3.484  -8.906
  137   3HZ   LYS  17          HZ3       LYS  17 -12.760  -3.025  -9.807
  138    H    ALA  18           H        ALA  18  -6.365  -2.186  -7.043
  139    HA   ALA  18           HA       ALA  18  -6.373  -0.231  -4.990
  140   1HB   ALA  18          HB1       ALA  18  -6.421   0.144  -8.014
  141   2HB   ALA  18          HB2       ALA  18  -5.997   1.382  -6.814
  142   3HB   ALA  18          HB3       ALA  18  -4.969  -0.050  -7.001
  143    H    GLY  19           H        GLY  19  -7.941   0.946  -4.137
  144   1HA   GLY  19          HA2       GLY  19  -9.784   2.322  -4.061
  145   2HA   GLY  19          HA3       GLY  19 -10.344   1.721  -5.627
  146    H    ASP  20           H        ASP  20  -9.698  -1.096  -3.904
  147    HA   ASP  20           HA       ASP  20 -12.528  -1.540  -3.423
  148   1HB   ASP  20          HB2       ASP  20 -10.963  -3.305  -4.233
  149   2HB   ASP  20          HB3       ASP  20 -10.116  -3.245  -2.683
  150    H    GLN  21           H        GLN  21 -13.412  -2.268  -1.349
  151    HA   GLN  21           HA       GLN  21 -12.371  -0.650   0.937
  152   1HB   GLN  21          HB2       GLN  21 -14.700  -0.266  -0.163
  153   2HB   GLN  21          HB3       GLN  21 -15.173  -1.803   0.543
  154   1HG   GLN  21          HG2       GLN  21 -14.280   0.712   2.017
  155   2HG   GLN  21          HG3       GLN  21 -15.925   0.117   1.872
  156   1HE2  GLN  21          HE22      GLN  21 -13.169   0.128   3.844
  157   2HE2  GLN  21          HE21      GLN  21 -13.514  -1.258   4.817
  158    H    ILE  22           H        ILE  22 -11.739  -1.813   2.791
  159    HA   ILE  22           HA       ILE  22 -12.407  -4.699   2.952
  160    HB   ILE  22           HB       ILE  22 -10.139  -5.284   3.533
  161   1HG1  ILE  22          HG12      ILE  22  -9.317  -2.419   2.861
  162   2HG1  ILE  22          HG13      ILE  22  -9.372  -3.127   4.479
  163   1HG2  ILE  22          HG21      ILE  22 -10.912  -5.392   1.156
  164   2HG2  ILE  22          HG22      ILE  22 -10.100  -3.843   0.854
  165   3HG2  ILE  22          HG23      ILE  22  -9.163  -5.266   1.349
  166   1HD1  ILE  22          HD11      ILE  22  -7.503  -3.909   2.216
  167   2HD1  ILE  22          HD12      ILE  22  -7.110  -3.207   3.800
  168   3HD1  ILE  22          HD13      ILE  22  -7.701  -4.867   3.699
  169    H    GLU  23           H        GLU  23 -11.864  -5.627   5.138
  170    HA   GLU  23           HA       GLU  23 -12.417  -3.652   7.259
  171   1HB   GLU  23          HB2       GLU  23 -14.575  -4.245   6.288
  172   2HB   GLU  23          HB3       GLU  23 -14.207  -5.966   6.415
  173   1HG   GLU  23          HG2       GLU  23 -14.121  -5.772   8.877
  174   2HG   GLU  23          HG3       GLU  23 -14.376  -4.027   8.757
  175    H    LYS  24           H        LYS  24 -11.586  -4.406   9.232
  176    HA   LYS  24           HA       LYS  24  -9.379  -6.066   9.113
  177   1HB   LYS  24          HB2       LYS  24  -9.895  -4.410  10.898
  178   2HB   LYS  24          HB3       LYS  24 -11.093  -5.514  11.579
  179   1HG   LYS  24          HG2       LYS  24  -9.349  -7.184  12.045
  180   2HG   LYS  24          HG3       LYS  24  -8.144  -6.207  11.193
  181   1HD   LYS  24          HD2       LYS  24  -8.436  -4.395  12.883
  182   2HD   LYS  24          HD3       LYS  24  -9.603  -5.419  13.752
  183   1HE   LYS  24          HE2       LYS  24  -7.842  -7.157  14.039
  184   2HE   LYS  24          HE3       LYS  24  -6.691  -6.134  13.168
  185   1HZ   LYS  24          HZ1       LYS  24  -7.971  -5.434  15.747
  186   2HZ   LYS  24          HZ2       LYS  24  -6.432  -5.928  15.557
  187   3HZ   LYS  24          HZ3       LYS  24  -6.901  -4.496  14.942
  188    H    GLY  25           H        GLY  25  -9.034  -8.199   9.002
  189   1HA   GLY  25          HA2       GLY  25  -9.336 -10.456   9.440
  190   2HA   GLY  25          HA3       GLY  25 -10.915 -10.136  10.151
  191    H    GLN  26           H        GLN  26 -10.985  -8.564   7.132
  192    HA   GLN  26           HA       GLN  26 -12.517 -10.681   5.837
  193   1HB   GLN  26          HB2       GLN  26 -12.913  -8.170   5.526
  194   2HB   GLN  26          HB3       GLN  26 -11.352  -8.102   4.698
  195   1HG   GLN  26          HG2       GLN  26 -12.496 -10.057   3.210
  196   2HG   GLN  26          HG3       GLN  26 -13.966  -9.312   3.807
  197   1HE2  GLN  26          HE22      GLN  26 -11.303  -9.087   1.581
  198   2HE2  GLN  26          HE21      GLN  26 -11.749  -7.546   0.863
  199    H    GLU  27           H        GLU  27 -11.669 -12.052   4.257
  200    HA   GLU  27           HA       GLU  27  -8.842 -12.503   3.975
  201   1HB   GLU  27          HB2       GLU  27 -10.648 -14.182   3.653
  202   2HB   GLU  27          HB3       GLU  27 -11.169 -13.331   2.194
  203   1HG   GLU  27          HG2       GLU  27  -9.016 -13.818   1.111
  204   2HG   GLU  27          HG3       GLU  27  -8.389 -14.517   2.609
  205    H    VAL  28           H        VAL  28  -7.389 -11.423   2.741
  206    HA   VAL  28           HA       VAL  28  -8.372  -9.795   0.458
  207    HB   VAL  28           HB       VAL  28  -6.409  -8.329   0.910
  208   1HG1  VAL  28          HG11      VAL  28  -8.366  -8.499   3.243
  209   2HG1  VAL  28          HG12      VAL  28  -7.462  -7.069   2.697
  210   3HG1  VAL  28          HG13      VAL  28  -8.734  -7.767   1.679
  211   1HG2  VAL  28          HG21      VAL  28  -5.042  -9.872   2.328
  212   2HG2  VAL  28          HG22      VAL  28  -5.340  -8.309   3.107
  213   3HG2  VAL  28          HG23      VAL  28  -6.264  -9.729   3.612
  214    H    ALA  29           H        ALA  29  -6.093 -12.332   1.551
  215    HA   ALA  29           HA       ALA  29  -5.690 -12.977  -1.237
  216   1HB   ALA  29          HB1       ALA  29  -3.901 -11.270  -0.943
  217   2HB   ALA  29          HB2       ALA  29  -3.253 -12.184   0.433
  218   3HB   ALA  29          HB3       ALA  29  -3.238 -12.883  -1.198
  219    H    ILE  30           H        ILE  30  -4.070 -14.956  -1.275
  220    HA   ILE  30           HA       ILE  30  -4.182 -16.530   1.236
  221    HB   ILE  30           HB       ILE  30  -4.951 -17.724  -1.460
  222   1HG1  ILE  30          HG12      ILE  30  -6.800 -17.032   0.870
  223   2HG1  ILE  30          HG13      ILE  30  -6.782 -16.261  -0.719
  224   1HG2  ILE  30          HG21      ILE  30  -5.507 -19.728  -0.090
  225   2HG2  ILE  30          HG22      ILE  30  -3.831 -19.286   0.090
  226   3HG2  ILE  30          HG23      ILE  30  -4.981 -18.866   1.378
  227   1HD1  ILE  30          HD11      ILE  30  -7.668 -19.079  -0.075
  228   2HD1  ILE  30          HD12      ILE  30  -8.590 -17.757  -0.803
  229   3HD1  ILE  30          HD13      ILE  30  -7.290 -18.543  -1.729
  230    H    LEU  31           H        LEU  31  -2.382 -17.776   1.502
  231    HA   LEU  31           HA       LEU  31  -0.193 -17.640  -0.514
  232   1HB   LEU  31          HB2       LEU  31  -0.331 -18.415   2.415
  233   2HB   LEU  31          HB3       LEU  31   1.096 -18.714   1.446
  234    HG   LEU  31           HG       LEU  31  -0.081 -15.979   2.036
  235   1HD1  LEU  31          HD11      LEU  31   1.911 -15.753   3.481
  236   2HD1  LEU  31          HD12      LEU  31   0.993 -17.168   3.973
  237   3HD1  LEU  31          HD13      LEU  31   2.470 -17.368   3.010
  238   1HD2  LEU  31          HD21      LEU  31   2.429 -16.768   0.508
  239   2HD2  LEU  31          HD22      LEU  31   1.022 -15.886  -0.131
  240   3HD2  LEU  31          HD23      LEU  31   2.048 -15.126   1.083
  241    H    GLU  32           H        GLU  32   0.180 -19.329  -1.625
  242    HA   GLU  32           HA       GLU  32  -0.217 -22.068  -0.599
  243   1HB   GLU  32          HB2       GLU  32  -0.431 -21.984  -2.996
  244   2HB   GLU  32          HB3       GLU  32   0.907 -20.860  -3.173
  245   1HG   GLU  32          HG2       GLU  32   1.555 -23.546  -1.965
  246   2HG   GLU  32          HG3       GLU  32   1.058 -23.512  -3.650
  247    H    SER  33           H        SER  33   1.537 -22.875   0.493
  248    HA   SER  33           HA       SER  33   4.058 -21.294   0.591
  249   1HB   SER  33          HB2       SER  33   2.155 -21.956   2.826
  250   2HB   SER  33          HB3       SER  33   3.898 -21.973   3.143
  251    HG   SER  33           HG       SER  33   4.030 -19.852   2.524
  252    H    MET  34           H        MET  34   4.611 -22.954  -0.935
  253    HA   MET  34           HA       MET  34   5.567 -24.908  -1.537
  254   1HB   MET  34          HB2       MET  34   6.659 -24.820   1.308
  255   2HB   MET  34          HB3       MET  34   7.292 -25.787  -0.025
  256   1HG   MET  34          HG2       MET  34   8.704 -23.947   0.027
  257   2HG   MET  34          HG3       MET  34   7.619 -23.621  -1.318
  258   1HE   MET  34          HE1       MET  34   9.455 -21.353  -0.379
  259   2HE   MET  34          HE2       MET  34   8.152 -21.123  -1.568
  260   3HE   MET  34          HE3       MET  34   8.326 -19.988  -0.214
  261    H    LYS  35           H        BTL  35   3.051 -25.268  -1.180
  262    HA   LYS  35           HA       BTL  35   1.587 -26.850  -1.421
  263   1HB   LYS  35          HB2       BTL  35   3.169 -28.908   0.145
  264   2HB   LYS  35          HB3       BTL  35   1.832 -29.158  -0.969
  265   1HG   LYS  35          HG2       BTL  35   4.651 -28.346  -1.736
  266   2HG   LYS  35          HG3       BTL  35   3.850 -29.891  -2.007
  267   1HD   LYS  35          HD2       BTL  35   2.188 -28.755  -3.488
  268   2HD   LYS  35          HD3       BTL  35   3.052 -27.223  -3.242
  269   1HE   LYS  35          HE2       BTL  35   5.139 -28.356  -4.145
  270   2HE   LYS  35          HE3       BTL  35   4.115 -29.736  -4.603
  271   1HZ   LYS  35          HZ1       BTL  35   3.937 -26.938  -5.594
  272    H    MET  36           H        MET  36   2.210 -25.214   1.288
  273    HA   MET  36           HA       MET  36  -0.013 -26.418   2.858
  274   1HB   MET  36          HB2       MET  36   1.976 -24.238   3.603
  275   2HB   MET  36          HB3       MET  36   0.726 -24.914   4.644
  276   1HG   MET  36          HG2       MET  36   1.769 -27.145   4.489
  277   2HG   MET  36          HG3       MET  36   3.060 -26.488   3.483
  278   1HE   MET  36          HE1       MET  36   5.030 -25.073   4.267
  279   2HE   MET  36          HE2       MET  36   3.938 -23.764   4.772
  280   3HE   MET  36          HE3       MET  36   5.193 -24.351   5.884
  281    H    GLU  37           H        GLU  37  -1.472 -24.662   3.826
  282    HA   GLU  37           HA       GLU  37  -2.302 -22.744   1.688
  283   1HB   GLU  37          HB2       GLU  37  -3.980 -24.668   3.376
  284   2HB   GLU  37          HB3       GLU  37  -4.615 -23.494   2.228
  285   1HG   GLU  37          HG2       GLU  37  -3.574 -24.728   0.365
  286   2HG   GLU  37          HG3       GLU  37  -2.797 -25.836   1.487
  287    H    ILE  38           H        ILE  38  -2.399 -20.666   2.594
  288    HA   ILE  38           HA       ILE  38  -3.165 -20.450   5.466
  289    HB   ILE  38           HB       ILE  38  -0.846 -18.862   4.379
  290   1HG1  ILE  38          HG12      ILE  38  -0.587 -21.500   5.873
  291   2HG1  ILE  38          HG13      ILE  38  -0.154 -21.227   4.179
  292   1HG2  ILE  38          HG21      ILE  38  -2.094 -18.074   6.399
  293   2HG2  ILE  38          HG22      ILE  38  -1.656 -19.588   7.218
  294   3HG2  ILE  38          HG23      ILE  38  -0.404 -18.425   6.721
  295   1HD1  ILE  38          HD11      ILE  38   1.854 -21.191   5.420
  296   2HD1  ILE  38          HD12      ILE  38   1.519 -19.532   4.887
  297   3HD1  ILE  38          HD13      ILE  38   1.223 -20.011   6.580
  298    HA   PRO  39           HA       PRO  39  -5.711 -17.229   3.390
  299   1HB   PRO  39          HB2       PRO  39  -6.485 -16.766   6.268
  300   2HB   PRO  39          HB3       PRO  39  -7.534 -16.912   4.830
  301   1HG   PRO  39          HG2       PRO  39  -7.312 -18.970   6.612
  302   2HG   PRO  39          HG3       PRO  39  -7.407 -19.282   4.849
  303   1HD   PRO  39          HD2       PRO  39  -4.946 -19.240   6.613
  304   2HD   PRO  39          HD3       PRO  39  -5.393 -20.391   5.315
  305    H    ILE  40           H        ILE  40  -5.379 -14.953   3.303
  306    HA   ILE  40           HA       ILE  40  -3.725 -13.713   5.437
  307    HB   ILE  40           HB       ILE  40  -3.650 -12.923   2.513
  308   1HG1  ILE  40          HG12      ILE  40  -2.719 -15.180   2.592
  309   2HG1  ILE  40          HG13      ILE  40  -1.496 -13.991   2.231
  310   1HG2  ILE  40          HG21      ILE  40  -1.905 -12.209   4.910
  311   2HG2  ILE  40          HG22      ILE  40  -1.555 -11.761   3.234
  312   3HG2  ILE  40          HG23      ILE  40  -3.011 -11.142   4.021
  313   1HD1  ILE  40          HD11      ILE  40  -1.151 -15.970   4.031
  314   2HD1  ILE  40          HD12      ILE  40  -0.321 -14.395   4.157
  315   3HD1  ILE  40          HD13      ILE  40  -1.757 -14.737   5.134
  316    H    VAL  41           H        VAL  41  -4.841 -12.197   6.428
  317    HA   VAL  41           HA       VAL  41  -7.341 -11.198   5.196
  318    HB   VAL  41           HB       VAL  41  -8.146 -11.171   7.611
  319   1HG1  VAL  41          HG11      VAL  41  -9.092 -12.793   6.107
  320   2HG1  VAL  41          HG12      VAL  41  -7.658 -13.840   6.204
  321   3HG1  VAL  41          HG13      VAL  41  -8.734 -13.628   7.603
  322   1HG2  VAL  41          HG21      VAL  41  -5.847 -11.661   8.656
  323   2HG2  VAL  41          HG22      VAL  41  -7.161 -12.710   9.207
  324   3HG2  VAL  41          HG23      VAL  41  -6.004 -13.329   8.021
  325    H    ALA  42           H        ALA  42  -8.030  -9.114   5.841
  326    HA   ALA  42           HA       ALA  42  -6.010  -7.170   5.702
  327   1HB   ALA  42          HB1       ALA  42  -7.855  -5.574   6.050
  328   2HB   ALA  42          HB2       ALA  42  -8.374  -6.860   4.945
  329   3HB   ALA  42          HB3       ALA  42  -8.894  -6.882   6.637
  330    H    ASP  43           H        ASP  43  -4.605  -6.717   7.232
  331    HA   ASP  43           HA       ASP  43  -4.776  -7.167  10.006
  332   1HB   ASP  43          HB2       ASP  43  -2.669  -6.753   8.908
  333   2HB   ASP  43          HB3       ASP  43  -3.172  -5.121   8.442
  334    H    ARG  44           H        ARG  44  -6.072  -4.446   8.139
  335    HA   ARG  44           HA       ARG  44  -7.723  -3.748  10.385
  336   1HB   ARG  44          HB2       ARG  44  -7.264  -1.330  10.347
  337   2HB   ARG  44          HB3       ARG  44  -5.938  -2.251  11.006
  338   1HG   ARG  44          HG2       ARG  44  -5.898  -1.364   8.082
  339   2HG   ARG  44          HG3       ARG  44  -5.499  -0.257   9.401
  340   1HD   ARG  44          HD2       ARG  44  -3.861  -2.095  10.190
  341   2HD   ARG  44          HD3       ARG  44  -4.017  -2.755   8.550
  342    HE   ARG  44           HE       ARG  44  -3.478  -0.144   8.048
  343   1HH1  ARG  44          HH11      ARG  44  -1.827  -2.519  10.134
  344   2HH1  ARG  44          HH12      ARG  44  -0.374  -1.577  10.257
  345   1HH2  ARG  44          HH21      ARG  44  -1.614   1.092   8.239
  346   2HH2  ARG  44          HH22      ARG  44  -0.264   0.557   9.196
  347    H    SER  45           H        SER  45  -9.471  -2.266   9.709
  348    HA   SER  45           HA       SER  45 -10.428  -2.675   7.055
  349   1HB   SER  45          HB2       SER  45 -11.221  -0.572   9.119
  350   2HB   SER  45          HB3       SER  45 -12.231  -1.211   7.805
  351    HG   SER  45           HG       SER  45 -12.608  -2.138   9.933
  352    H    GLY  46           H        GLY  46 -10.851  -0.934   5.450
  353   1HA   GLY  46          HA2       GLY  46 -10.063   1.697   5.552
  354   2HA   GLY  46          HA3       GLY  46  -8.588   0.837   5.073
  355    H    ILE  47           H        ILE  47  -8.853   2.158   3.102
  356    HA   ILE  47           HA       ILE  47 -10.347   0.589   1.095
  357    HB   ILE  47           HB       ILE  47 -10.077   3.621   1.188
  358   1HG1  ILE  47          HG12      ILE  47 -12.414   1.666   1.060
  359   2HG1  ILE  47          HG13      ILE  47 -11.998   2.731   2.401
  360   1HG2  ILE  47          HG21      ILE  47  -9.480   2.813  -1.100
  361   2HG2  ILE  47          HG22      ILE  47 -11.015   1.916  -1.165
  362   3HG2  ILE  47          HG23      ILE  47 -10.994   3.692  -1.092
  363   1HD1  ILE  47          HD11      ILE  47 -12.523   4.698   0.894
  364   2HD1  ILE  47          HD12      ILE  47 -13.150   3.521  -0.295
  365   3HD1  ILE  47          HD13      ILE  47 -13.902   3.651   1.298
  366    H    VAL  48           H        VAL  48  -9.065  -0.123  -0.460
  367    HA   VAL  48           HA       VAL  48  -6.245  -0.189   0.027
  368    HB   VAL  48           HB       VAL  48  -7.932  -1.116  -2.327
  369   1HG1  VAL  48          HG11      VAL  48  -5.963  -2.683  -2.703
  370   2HG1  VAL  48          HG12      VAL  48  -5.623  -0.990  -3.052
  371   3HG1  VAL  48          HG13      VAL  48  -5.043  -1.692  -1.540
  372   1HG2  VAL  48          HG21      VAL  48  -6.936  -2.662   0.105
  373   2HG2  VAL  48          HG22      VAL  48  -8.620  -2.235  -0.242
  374   3HG2  VAL  48          HG23      VAL  48  -7.774  -3.358  -1.299
  375    H    LYS  49           H        LYS  49  -4.709   1.128  -0.691
  376    HA   LYS  49           HA       LYS  49  -5.313   3.211  -2.709
  377   1HB   LYS  49          HB2       LYS  49  -4.102   3.664  -0.496
  378   2HB   LYS  49          HB3       LYS  49  -2.745   2.727  -1.143
  379   1HG   LYS  49          HG2       LYS  49  -2.790   4.325  -3.157
  380   2HG   LYS  49          HG3       LYS  49  -3.945   5.305  -2.242
  381   1HD   LYS  49          HD2       LYS  49  -1.106   4.561  -1.423
  382   2HD   LYS  49          HD3       LYS  49  -1.638   6.151  -1.990
  383   1HE   LYS  49          HE2       LYS  49  -3.087   6.400   0.006
  384   2HE   LYS  49          HE3       LYS  49  -2.628   4.783   0.557
  385   1HZ   LYS  49          HZ1       LYS  49  -0.809   7.091   0.320
  386   2HZ   LYS  49          HZ2       LYS  49  -1.338   6.382   1.702
  387   3HZ   LYS  49          HZ3       LYS  49  -0.317   5.563   0.678
  388    H    GLU  50           H        GLU  50  -3.145   0.331  -2.048
  389    HA   GLU  50           HA       GLU  50  -3.047  -0.174  -4.923
  390   1HB   GLU  50          HB2       GLU  50  -1.182   1.497  -4.482
  391   2HB   GLU  50          HB3       GLU  50  -0.495   0.359  -3.322
  392   1HG   GLU  50          HG2       GLU  50   0.673   0.348  -5.485
  393   2HG   GLU  50          HG3       GLU  50   0.033  -1.224  -5.061
  394    H    VAL  51           H        VAL  51  -2.144  -2.302  -5.352
  395    HA   VAL  51           HA       VAL  51  -1.835  -4.057  -2.955
  396    HB   VAL  51           HB       VAL  51  -2.735  -5.033  -5.689
  397   1HG1  VAL  51          HG11      VAL  51  -3.380  -7.025  -4.430
  398   2HG1  VAL  51          HG12      VAL  51  -1.685  -6.663  -4.087
  399   3HG1  VAL  51          HG13      VAL  51  -2.927  -6.256  -2.892
  400   1HG2  VAL  51          HG21      VAL  51  -4.552  -3.570  -4.898
  401   2HG2  VAL  51          HG22      VAL  51  -5.009  -5.273  -4.776
  402   3HG2  VAL  51          HG23      VAL  51  -4.533  -4.386  -3.318
  403    H    LYS  52           H        LYS  52   0.251  -4.675  -2.774
  404    HA   LYS  52           HA       LYS  52   2.146  -3.701  -4.777
  405   1HB   LYS  52          HB2       LYS  52   2.574  -5.111  -2.103
  406   2HB   LYS  52          HB3       LYS  52   3.802  -4.270  -3.040
  407   1HG   LYS  52          HG2       LYS  52   1.362  -2.925  -1.784
  408   2HG   LYS  52          HG3       LYS  52   2.978  -2.965  -1.096
  409   1HD   LYS  52          HD2       LYS  52   3.879  -1.702  -3.010
  410   2HD   LYS  52          HD3       LYS  52   2.258  -1.652  -3.753
  411   1HE   LYS  52          HE2       LYS  52   1.364  -0.436  -1.857
  412   2HE   LYS  52          HE3       LYS  52   2.897  -0.565  -0.983
  413   1HZ   LYS  52          HZ1       LYS  52   3.912   0.861  -2.631
  414   2HZ   LYS  52          HZ2       LYS  52   2.531   0.947  -3.508
  415   3HZ   LYS  52          HZ3       LYS  52   2.587   1.597  -2.003
  416    H    LYS  53           H        LYS  53   0.414  -6.489  -4.743
  417    HA   LYS  53           HA       LYS  53   2.422  -8.113  -6.137
  418   1HB   LYS  53          HB2       LYS  53   0.898  -9.047  -3.653
  419   2HB   LYS  53          HB3       LYS  53   1.810 -10.119  -4.725
  420   1HG   LYS  53          HG2       LYS  53   3.098  -7.874  -3.117
  421   2HG   LYS  53          HG3       LYS  53   2.950  -9.544  -2.587
  422   1HD   LYS  53          HD2       LYS  53   4.218 -10.332  -4.538
  423   2HD   LYS  53          HD3       LYS  53   4.405  -8.660  -5.124
  424   1HE   LYS  53          HE2       LYS  53   5.730  -8.050  -3.226
  425   2HE   LYS  53          HE3       LYS  53   5.291  -9.522  -2.364
  426   1HZ   LYS  53          HZ1       LYS  53   7.094  -9.359  -4.690
  427   2HZ   LYS  53          HZ2       LYS  53   7.413  -9.839  -3.131
  428   3HZ   LYS  53          HZ3       LYS  53   6.507 -10.786  -4.085
  429    H    LYS  54           H        LYS  54   1.067 -10.263  -6.776
  430    HA   LYS  54           HA       LYS  54  -1.772  -9.732  -7.237
  431   1HB   LYS  54          HB2       LYS  54  -1.628 -10.133  -9.647
  432   2HB   LYS  54          HB3       LYS  54  -0.735  -8.681  -9.204
  433   1HG   LYS  54          HG2       LYS  54   1.407  -9.938  -9.344
  434   2HG   LYS  54          HG3       LYS  54   0.518 -11.415  -9.760
  435   1HD   LYS  54          HD2       LYS  54  -0.357 -10.314 -11.803
  436   2HD   LYS  54          HD3       LYS  54   0.542  -8.837 -11.388
  437   1HE   LYS  54          HE2       LYS  54   2.673 -10.120 -11.473
  438   2HE   LYS  54          HE3       LYS  54   1.776 -11.587 -11.887
  439   1HZ   LYS  54          HZ1       LYS  54   1.897  -9.139 -13.554
  440   2HZ   LYS  54          HZ2       LYS  54   2.693 -10.527 -13.849
  441   3HZ   LYS  54          HZ3       LYS  54   1.068 -10.495 -13.937
  442    H    GLU  55           H        GLU  55  -2.783 -11.740  -8.191
  443    HA   GLU  55           HA       GLU  55  -2.272 -14.082  -6.882
  444   1HB   GLU  55          HB2       GLU  55  -3.277 -13.893  -9.754
  445   2HB   GLU  55          HB3       GLU  55  -3.426 -15.273  -8.671
  446   1HG   GLU  55          HG2       GLU  55  -5.468 -14.418  -8.281
  447   2HG   GLU  55          HG3       GLU  55  -4.599 -13.482  -7.083
  448    H    GLY  56           H        GLY  56  -0.597 -15.401  -6.752
  449   1HA   GLY  56          HA2       GLY  56   0.862 -17.019  -7.486
  450   2HA   GLY  56          HA3       GLY  56   0.699 -16.447  -9.151
  451    H    ASP  57           H        ASP  57   1.443 -13.713  -7.217
  452    HA   ASP  57           HA       ASP  57   4.180 -13.629  -8.151
  453   1HB   ASP  57          HB2       ASP  57   2.571 -11.653  -7.454
  454   2HB   ASP  57          HB3       ASP  57   3.174 -11.969  -5.839
  455    H    PHE  58           H        PHE  58   6.051 -13.544  -6.661
  456    HA   PHE  58           HA       PHE  58   5.979 -15.765  -4.681
  457   1HB   PHE  58          HB2       PHE  58   7.843 -15.687  -6.311
  458   2HB   PHE  58          HB3       PHE  58   8.263 -14.067  -5.768
  459    HD1  PHE  58           HD1      PHE  58   9.690 -13.745  -3.858
  460    HD2  PHE  58           HD2      PHE  58   7.974 -17.630  -4.628
  461    HE1  PHE  58           HE1      PHE  58  11.136 -14.737  -2.101
  462    HE2  PHE  58           HE2      PHE  58   9.422 -18.616  -2.870
  463    HZ   PHE  58           HZ       PHE  58  11.017 -17.175  -1.616
  464    H    VAL  59           H        VAL  59   6.333 -15.346  -2.453
  465    HA   VAL  59           HA       VAL  59   6.598 -12.552  -1.558
  466    HB   VAL  59           HB       VAL  59   4.584 -13.001  -0.044
  467   1HG1  VAL  59          HG11      VAL  59   3.980 -12.520  -2.982
  468   2HG1  VAL  59          HG12      VAL  59   2.985 -12.044  -1.597
  469   3HG1  VAL  59          HG13      VAL  59   4.577 -11.314  -1.812
  470   1HG2  VAL  59          HG21      VAL  59   4.186 -15.377  -0.565
  471   2HG2  VAL  59          HG22      VAL  59   2.773 -14.379  -0.973
  472   3HG2  VAL  59          HG23      VAL  59   3.824 -14.962  -2.257
  473    H    ASN  60           H        ASN  60   6.919 -12.421   0.813
  474    HA   ASN  60           HA       ASN  60   7.750 -14.881   2.101
  475   1HB   ASN  60          HB2       ASN  60   9.678 -13.382   0.577
  476   2HB   ASN  60          HB3       ASN  60  10.019 -13.066   2.271
  477   1HD2  ASN  60          HD22      ASN  60   9.083 -15.837   0.129
  478   2HD2  ASN  60          HD21      ASN  60  10.191 -16.979   0.860
  479    H    GLU  61           H        GLU  61   8.775 -14.395   4.284
  480    HA   GLU  61           HA       GLU  61   6.971 -12.858   5.843
  481   1HB   GLU  61          HB2       GLU  61   8.405 -14.755   6.632
  482   2HB   GLU  61          HB3       GLU  61   9.834 -13.730   6.456
  483   1HG   GLU  61          HG2       GLU  61   8.783 -12.124   8.115
  484   2HG   GLU  61          HG3       GLU  61   7.473 -13.285   8.324
  485    H    GLY  62           H        GLY  62   6.719 -10.708   5.882
  486   1HA   GLY  62          HA2       GLY  62   7.344  -8.542   6.387
  487   2HA   GLY  62          HA3       GLY  62   9.040  -8.909   6.047
  488    H    ASP  63           H        ASP  63   7.315 -10.181   3.428
  489    HA   ASP  63           HA       ASP  63   8.100  -7.947   1.711
  490   1HB   ASP  63          HB2       ASP  63   8.354 -10.426   1.153
  491   2HB   ASP  63          HB3       ASP  63   6.599 -10.484   0.962
  492    H    VAL  64           H        VAL  64   6.645  -6.508   0.791
  493    HA   VAL  64           HA       VAL  64   4.263  -5.991   2.285
  494    HB   VAL  64           HB       VAL  64   3.983  -4.138   0.622
  495   1HG1  VAL  64          HG11      VAL  64   6.723  -4.337   1.938
  496   2HG1  VAL  64          HG12      VAL  64   5.894  -2.848   1.434
  497   3HG1  VAL  64          HG13      VAL  64   5.210  -3.843   2.728
  498   1HG2  VAL  64          HG21      VAL  64   6.691  -5.001  -0.496
  499   2HG2  VAL  64          HG22      VAL  64   5.148  -5.275  -1.324
  500   3HG2  VAL  64          HG23      VAL  64   5.696  -3.622  -0.993
  501    H    LEU  65           H        LEU  65   2.105  -5.713   1.480
  502    HA   LEU  65           HA       LEU  65   1.335  -7.425  -0.847
  503   1HB   LEU  65          HB2       LEU  65   0.961  -8.739   1.167
  504   2HB   LEU  65          HB3       LEU  65   0.207  -7.376   1.980
  505    HG   LEU  65           HG       LEU  65  -1.687  -7.451   0.336
  506   1HD1  LEU  65          HD11      LEU  65  -1.996  -9.504  -1.005
  507   2HD1  LEU  65          HD12      LEU  65  -0.600  -8.575  -1.554
  508   3HD1  LEU  65          HD13      LEU  65  -0.354 -10.033  -0.568
  509   1HD2  LEU  65          HD21      LEU  65  -2.777  -9.387   1.320
  510   2HD2  LEU  65          HD22      LEU  65  -1.211  -9.975   1.915
  511   3HD2  LEU  65          HD23      LEU  65  -1.891  -8.455   2.537
  512    H    LEU  66           H        LEU  66   0.405  -4.722   1.400
  513    HA   LEU  66           HA       LEU  66  -1.422  -3.633  -0.688
  514   1HB   LEU  66          HB2       LEU  66  -2.035  -4.794   2.023
  515   2HB   LEU  66          HB3       LEU  66  -2.877  -3.329   1.617
  516    HG   LEU  66           HG       LEU  66  -2.998  -5.764  -0.197
  517   1HD1  LEU  66          HD11      LEU  66  -5.152  -6.271   0.925
  518   2HD1  LEU  66          HD12      LEU  66  -3.799  -6.409   2.051
  519   3HD1  LEU  66          HD13      LEU  66  -4.853  -4.979   2.102
  520   1HD2  LEU  66          HD21      LEU  66  -4.683  -3.257   0.154
  521   2HD2  LEU  66          HD22      LEU  66  -3.671  -3.679  -1.238
  522   3HD2  LEU  66          HD23      LEU  66  -5.130  -4.612  -0.887
  523    H    GLU  67           H        GLU  67  -1.836  -1.458  -0.428
  524    HA   GLU  67           HA       GLU  67  -0.754  -0.040   1.937
  525   1HB   GLU  67          HB2       GLU  67   0.737   0.308  -0.078
  526   2HB   GLU  67          HB3       GLU  67  -0.638   1.074  -0.900
  527   1HG   GLU  67          HG2       GLU  67  -0.777   2.680   1.050
  528   2HG   GLU  67          HG3       GLU  67   0.674   1.921   1.722
  529    H    LEU  68           H        LEU  68  -2.265   1.463   2.684
  530    HA   LEU  68           HA       LEU  68  -4.965   1.353   1.425
  531   1HB   LEU  68          HB2       LEU  68  -4.375   1.190   4.403
  532   2HB   LEU  68          HB3       LEU  68  -5.923   1.002   3.603
  533    HG   LEU  68           HG       LEU  68  -3.613  -0.980   3.510
  534   1HD1  LEU  68          HD11      LEU  68  -6.297  -1.093   4.953
  535   2HD1  LEU  68          HD12      LEU  68  -5.065  -2.373   4.922
  536   3HD1  LEU  68          HD13      LEU  68  -4.712  -0.833   5.710
  537   1HD2  LEU  68          HD21      LEU  68  -6.423  -1.180   2.341
  538   2HD2  LEU  68          HD22      LEU  68  -4.884  -1.148   1.443
  539   3HD2  LEU  68          HD23      LEU  68  -5.258  -2.521   2.474
  540    H    SER  69           H        SER  69  -5.957   3.391   1.461
  541    HA   SER  69           HA       SER  69  -4.414   5.690   2.141
  542   1HB   SER  69          HB2       SER  69  -7.423   5.444   1.761
  543   2HB   SER  69          HB3       SER  69  -6.435   6.911   1.567
  544    HG   SER  69           HG       SER  69  -6.864   5.882  -0.440
  545    H    ASN  70           H        ASN  70  -6.471   3.646   4.113
  546    HA   ASN  70           HA       ASN  70  -6.940   5.547   6.230
  547   1HB   ASN  70          HB2       ASN  70  -8.279   3.457   5.823
  548   2HB   ASN  70          HB3       ASN  70  -6.885   2.503   6.355
  549   1HD2  ASN  70          HD22      ASN  70  -8.061   1.591   8.175
  550   2HD2  ASN  70          HD21      ASN  70  -8.445   2.581   9.563
  551    H    SER  71           H        SER  71  -4.050   3.822   5.261
  552    HA   SER  71           HA       SER  71  -2.858   3.879   7.958
  553   1HB   SER  71          HB2       SER  71  -1.738   3.134   5.234
  554   2HB   SER  71          HB3       SER  71  -0.862   3.020   6.768
  555    HG   SER  71           HG       SER  71  -3.365   1.752   6.288
  556    H    THR  72           H        THR  72  -3.337   6.193   5.432
  557    HA   THR  72           HA       THR  72  -0.967   7.765   6.321
  558    HB   THR  72           HB       THR  72  -0.881   8.479   3.869
  559    HG1  THR  72           HG1      THR  72  -2.919   7.602   3.249
  560   1HG2  THR  72          HG21      THR  72  -0.351   5.524   4.379
  561   2HG2  THR  72          HG22      THR  72   0.459   6.592   3.211
  562   3HG2  THR  72          HG23      THR  72   0.699   6.843   4.942
  563    H    GLN  73           H        GLN  73  -3.806   7.906   7.248
  564    HA   GLN  73           HA       GLN  73  -4.181  10.805   6.876
  565   1HB   GLN  73          HB2       GLN  73  -6.335   8.676   6.495
  566   2HB   GLN  73          HB3       GLN  73  -6.683  10.378   6.801
  567   1HG   GLN  73          HG2       GLN  73  -5.576  11.051   4.725
  568   2HG   GLN  73          HG3       GLN  73  -5.091   9.381   4.400
  569   1HE2  GLN  73          HE22      GLN  73  -6.794   7.760   4.129
  570   2HE2  GLN  73          HE21      GLN  73  -8.347   8.230   3.434
  571    HN3  BTI 135           HN3      BTL  35  -4.563 -25.470  -1.777
  572    HN2  BTI 135           HN2      BTL  35  -3.158 -24.937  -5.504
  573    H4   BTI 135           H4       BTL  35  -1.665 -23.734  -3.823
  574    H2   BTI 135           H2       BTL  35   0.035 -25.346  -3.565
  575    H62  BTI 135           H62      BTL  35  -0.920 -25.844  -1.126
  576    H63  BTI 135           H63      BTL  35  -2.431 -26.773  -1.002
  577    H5   BTI 135           H5       BTL  35  -2.422 -24.124  -1.654
  578    H72  BTI 135           H72      BTL  35  -1.402 -26.619  -5.905
  579    H73  BTI 135           H73      BTL  35  -0.662 -25.007  -5.998
  580    H82  BTI 135           H82      BTL  35   1.522 -25.901  -5.411
  581    H83  BTI 135           H83      BTL  35   0.831 -27.513  -5.152
  582    H92  BTI 135           H92      BTL  35   0.285 -27.757  -7.485
  583    H93  BTI 135           H93      BTL  35   0.697 -26.074  -7.836
  584   H102  BTI 135          H102      BTL  35   2.439 -27.743  -8.570
  585   H103  BTI 135          H103      BTL  35   3.033 -26.460  -7.518
  Start of MODEL   14
    1   1H    THR   2           H1       THR   2   1.131  -1.612   3.160
    2   2H    THR   2           H2       THR   2   1.522  -0.100   3.665
    3   3H    THR   2           H3       THR   2   2.374  -1.398   4.215
    4    HA   THR   2           HA       THR   2   0.943  -0.628   5.911
    5    HB   THR   2           HB       THR   2  -1.377  -1.173   4.042
    6    HG1  THR   2           HG1      THR   2  -0.298   1.335   4.823
    7   1HG2  THR   2          HG21      THR   2  -2.633   0.156   5.735
    8   2HG2  THR   2          HG22      THR   2  -2.040  -1.386   6.369
    9   3HG2  THR   2          HG23      THR   2  -1.205   0.129   6.790
   10    H    VAL   3           H        VAL   3  -0.743  -3.265   3.974
   11    HA   VAL   3           HA       VAL   3  -0.181  -5.065   6.269
   12    HB   VAL   3           HB       VAL   3  -1.739  -5.915   3.837
   13   1HG1  VAL   3          HG11      VAL   3  -1.176  -7.618   5.491
   14   2HG1  VAL   3          HG12      VAL   3  -1.932  -6.648   6.773
   15   3HG1  VAL   3          HG13      VAL   3  -2.913  -7.332   5.454
   16   1HG2  VAL   3          HG21      VAL   3  -3.871  -5.239   4.918
   17   2HG2  VAL   3          HG22      VAL   3  -2.957  -4.349   6.159
   18   3HG2  VAL   3          HG23      VAL   3  -2.919  -3.834   4.455
   19    H    SER   4           H        SER   4   1.032  -6.987   5.900
   20    HA   SER   4           HA       SER   4   2.510  -7.282   3.359
   21   1HB   SER   4          HB2       SER   4   3.781  -7.191   6.124
   22   2HB   SER   4          HB3       SER   4   4.630  -7.462   4.604
   23    HG   SER   4           HG       SER   4   4.771  -5.275   5.384
   24    H    ILE   5           H        ILE   5   3.622  -9.365   3.345
   25    HA   ILE   5           HA       ILE   5   2.015 -11.528   4.483
   26    HB   ILE   5           HB       ILE   5   4.409 -11.395   2.586
   27   1HG1  ILE   5          HG12      ILE   5   2.535 -10.444   1.466
   28   2HG1  ILE   5          HG13      ILE   5   2.702 -12.073   0.857
   29   1HG2  ILE   5          HG21      ILE   5   4.503 -13.528   3.599
   30   2HG2  ILE   5          HG22      ILE   5   2.745 -13.778   3.448
   31   3HG2  ILE   5          HG23      ILE   5   3.796 -13.776   2.016
   32   1HD1  ILE   5          HD11      ILE   5   0.367 -11.624   1.182
   33   2HD1  ILE   5          HD12      ILE   5   0.849 -12.813   2.403
   34   3HD1  ILE   5          HD13      ILE   5   0.631 -11.101   2.852
   35    H    GLN   6           H        GLN   6   2.997 -13.256   5.650
   36    HA   GLN   6           HA       GLN   6   5.070 -12.366   7.593
   37   1HB   GLN   6          HB2       GLN   6   3.693 -13.166   9.361
   38   2HB   GLN   6          HB3       GLN   6   2.705 -12.095   8.382
   39   1HG   GLN   6          HG2       GLN   6   2.612 -15.160   8.343
   40   2HG   GLN   6          HG3       GLN   6   1.471 -14.100   9.153
   41   1HE2  GLN   6          HE22      GLN   6  -0.102 -12.932   7.869
   42   2HE2  GLN   6          HE21      GLN   6  -0.376 -13.343   6.192
   43    H    MET   7           H        MET   7   4.493 -14.603   5.211
   44    HA   MET   7           HA       MET   7   6.229 -16.648   6.432
   45   1HB   MET   7          HB2       MET   7   3.984 -17.317   7.086
   46   2HB   MET   7          HB3       MET   7   3.367 -17.056   5.454
   47   1HG   MET   7          HG2       MET   7   3.664 -19.423   6.028
   48   2HG   MET   7          HG3       MET   7   4.560 -18.926   4.603
   49   1HE   MET   7          HE1       MET   7   5.982 -20.990   4.432
   50   2HE   MET   7          HE2       MET   7   6.780 -21.790   5.808
   51   3HE   MET   7          HE3       MET   7   5.004 -21.665   5.750
   52    H    ALA   8           H        ALA   8   7.216 -17.960   4.845
   53    HA   ALA   8           HA       ALA   8   7.724 -16.741   2.270
   54   1HB   ALA   8          HB1       ALA   8   9.171 -18.723   1.963
   55   2HB   ALA   8          HB2       ALA   8   9.488 -17.878   3.497
   56   3HB   ALA   8          HB3       ALA   8   8.555 -19.402   3.483
   57    H    GLY   9           H        GLY   9   6.777 -17.202   0.319
   58   1HA   GLY   9          HA2       GLY   9   5.471 -19.652  -0.308
   59   2HA   GLY   9          HA3       GLY   9   4.289 -18.553   0.400
   60    H    ASN  10           H        ASN  10   3.241 -18.807  -1.569
   61    HA   ASN  10           HA       ASN  10   4.076 -16.974  -3.757
   62   1HB   ASN  10          HB2       ASN  10   3.001 -19.824  -4.014
   63   2HB   ASN  10          HB3       ASN  10   3.163 -18.681  -5.348
   64   1HD2  ASN  10          HD21      ASN  10   4.873 -20.960  -3.273
   65   2HD2  ASN  10          HD22      ASN  10   6.460 -20.704  -3.970
   66    H    LEU  11           H        LEU  11   2.354 -15.655  -4.209
   67    HA   LEU  11           HA       LEU  11   0.164 -15.749  -2.341
   68   1HB   LEU  11          HB2       LEU  11   1.595 -13.747  -3.114
   69   2HB   LEU  11          HB3       LEU  11   0.636 -13.754  -4.577
   70    HG   LEU  11           HG       LEU  11  -1.437 -13.449  -3.146
   71   1HD1  LEU  11          HD11      LEU  11  -0.778 -14.323  -0.984
   72   2HD1  LEU  11          HD12      LEU  11   0.644 -13.257  -0.915
   73   3HD1  LEU  11          HD13      LEU  11  -0.982 -12.585  -0.776
   74   1HD2  LEU  11          HD21      LEU  11   0.773 -11.389  -2.723
   75   2HD2  LEU  11          HD22      LEU  11  -0.211 -11.554  -4.199
   76   3HD2  LEU  11          HD23      LEU  11  -0.978 -11.083  -2.678
   77    H    TRP  12           H        TRP  12  -0.506 -17.834  -3.332
   78    HA   TRP  12           HA       TRP  12  -1.527 -18.630  -5.623
   79   1HB   TRP  12          HB2       TRP  12  -1.511 -19.940  -3.636
   80   2HB   TRP  12          HB3       TRP  12  -2.641 -18.880  -2.823
   81    HD1  TRP  12           HD1      TRP  12  -4.137 -19.800  -6.106
   82    HE1  TRP  12           HE1      TRP  12  -5.886 -21.613  -5.793
   83    HE3  TRP  12           HE3      TRP  12  -2.944 -21.227  -1.352
   84    HZ2  TRP  12           HZ2      TRP  12  -6.864 -23.284  -3.633
   85    HZ3  TRP  12           HZ3      TRP  12  -4.317 -22.908  -0.187
   86    HH2  TRP  12           HH2      TRP  12  -6.295 -23.923  -1.291
   87    H    LYS  13           H        LYS  13  -3.576 -16.505  -3.489
   88    HA   LYS  13           HA       LYS  13  -4.874 -15.564  -5.953
   89   1HB   LYS  13          HB2       LYS  13  -6.474 -16.750  -3.644
   90   2HB   LYS  13          HB3       LYS  13  -7.148 -15.671  -4.876
   91   1HG   LYS  13          HG2       LYS  13  -6.382 -17.279  -6.654
   92   2HG   LYS  13          HG3       LYS  13  -5.965 -18.413  -5.366
   93   1HD   LYS  13          HD2       LYS  13  -8.744 -17.310  -5.934
   94   2HD   LYS  13          HD3       LYS  13  -8.139 -18.910  -6.387
   95   1HE   LYS  13          HE2       LYS  13  -7.742 -19.416  -3.961
   96   2HE   LYS  13          HE3       LYS  13  -8.474 -17.860  -3.540
   97   1HZ   LYS  13          HZ1       LYS  13 -10.544 -18.647  -4.582
   98   2HZ   LYS  13          HZ2       LYS  13  -9.854 -20.083  -4.947
   99   3HZ   LYS  13          HZ3       LYS  13 -10.083 -19.661  -3.392
  100    H    VAL  14           H        VAL  14  -6.127 -13.621  -5.570
  101    HA   VAL  14           HA       VAL  14  -5.486 -12.043  -3.186
  102    HB   VAL  14           HB       VAL  14  -4.841 -11.198  -6.050
  103   1HG1  VAL  14          HG11      VAL  14  -4.002  -9.103  -5.025
  104   2HG1  VAL  14          HG12      VAL  14  -5.736  -9.280  -4.808
  105   3HG1  VAL  14          HG13      VAL  14  -4.632  -9.618  -3.446
  106   1HG2  VAL  14          HG21      VAL  14  -3.066 -11.681  -3.623
  107   2HG2  VAL  14          HG22      VAL  14  -3.040 -12.593  -5.145
  108   3HG2  VAL  14          HG23      VAL  14  -2.514 -10.909  -5.124
  109    H    HIS  15           H        HIS  15  -7.110 -10.593  -2.836
  110    HA   HIS  15           HA       HIS  15  -9.598 -10.831  -4.478
  111   1HB   HIS  15          HB2       HIS  15  -9.397 -11.140  -1.457
  112   2HB   HIS  15          HB3       HIS  15 -10.852 -11.304  -2.436
  113    HD1  HIS  15           HD1      HIS  15 -10.563 -13.456  -4.384
  114    HD2  HIS  15           HD2      HIS  15  -8.147 -13.366  -0.939
  115    HE1  HIS  15           HE1      HIS  15  -9.579 -15.789  -4.131
  116    H    VAL  16           H        VAL  16  -7.473  -8.659  -3.817
  117    HA   VAL  16           HA       VAL  16  -9.369  -6.475  -3.132
  118    HB   VAL  16           HB       VAL  16  -7.196  -5.313  -2.366
  119   1HG1  VAL  16          HG11      VAL  16  -8.281  -7.643  -0.752
  120   2HG1  VAL  16          HG12      VAL  16  -7.419  -6.216  -0.112
  121   3HG1  VAL  16          HG13      VAL  16  -9.006  -6.030  -0.878
  122   1HG2  VAL  16          HG21      VAL  16  -6.178  -8.179  -2.044
  123   2HG2  VAL  16          HG22      VAL  16  -5.582  -7.026  -3.259
  124   3HG2  VAL  16          HG23      VAL  16  -5.370  -6.705  -1.536
  125    H    LYS  17           H        LYS  17  -8.886  -4.447  -4.170
  126    HA   LYS  17           HA       LYS  17  -7.007  -4.441  -6.398
  127   1HB   LYS  17          HB2       LYS  17  -9.963  -3.692  -6.730
  128   2HB   LYS  17          HB3       LYS  17  -8.695  -3.396  -7.923
  129   1HG   LYS  17          HG2       LYS  17  -8.306  -5.877  -8.060
  130   2HG   LYS  17          HG3       LYS  17  -9.712  -6.117  -7.010
  131   1HD   LYS  17          HD2       LYS  17  -9.749  -4.751  -9.735
  132   2HD   LYS  17          HD3       LYS  17 -10.230  -6.423  -9.412
  133   1HE   LYS  17          HE2       LYS  17 -12.011  -5.608  -7.866
  134   2HE   LYS  17          HE3       LYS  17 -11.561  -3.938  -8.237
  135   1HZ   LYS  17          HZ1       LYS  17 -13.434  -4.661  -9.569
  136   2HZ   LYS  17          HZ2       LYS  17 -12.170  -4.358 -10.550
  137   3HZ   LYS  17          HZ3       LYS  17 -12.591  -5.900 -10.204
  138    H    ALA  18           H        ALA  18  -6.622  -2.089  -7.001
  139    HA   ALA  18           HA       ALA  18  -6.616  -0.243  -4.837
  140   1HB   ALA  18          HB1       ALA  18  -6.164   1.450  -6.577
  141   2HB   ALA  18          HB2       ALA  18  -5.161   0.006  -6.810
  142   3HB   ALA  18          HB3       ALA  18  -6.587   0.280  -7.843
  143    H    GLY  19           H        GLY  19  -8.130   1.156  -4.064
  144   1HA   GLY  19          HA2       GLY  19 -10.005   2.468  -3.997
  145   2HA   GLY  19          HA3       GLY  19 -10.534   1.856  -5.567
  146    H    ASP  20           H        ASP  20  -9.947  -1.006  -3.971
  147    HA   ASP  20           HA       ASP  20 -12.752  -1.411  -3.356
  148   1HB   ASP  20          HB2       ASP  20 -11.200  -3.163  -4.260
  149   2HB   ASP  20          HB3       ASP  20 -10.355  -3.162  -2.705
  150    H    GLN  21           H        GLN  21 -13.487  -2.201  -1.190
  151    HA   GLN  21           HA       GLN  21 -12.247  -0.679   1.073
  152   1HB   GLN  21          HB2       GLN  21 -14.619  -0.150   0.617
  153   2HB   GLN  21          HB3       GLN  21 -15.021  -1.861   0.618
  154   1HG   GLN  21          HG2       GLN  21 -15.793  -1.007   2.670
  155   2HG   GLN  21          HG3       GLN  21 -14.396  -1.979   3.063
  156   1HE2  GLN  21          HE22      GLN  21 -12.994  -0.986   4.576
  157   2HE2  GLN  21          HE21      GLN  21 -12.952   0.741   4.840
  158    H    ILE  22           H        ILE  22 -11.416  -1.859   2.781
  159    HA   ILE  22           HA       ILE  22 -12.166  -4.715   3.061
  160    HB   ILE  22           HB       ILE  22  -9.899  -5.343   3.629
  161   1HG1  ILE  22          HG12      ILE  22  -8.984  -2.546   2.820
  162   2HG1  ILE  22          HG13      ILE  22  -9.072  -3.157   4.477
  163   1HG2  ILE  22          HG21      ILE  22  -8.931  -5.403   1.434
  164   2HG2  ILE  22          HG22      ILE  22 -10.681  -5.558   1.281
  165   3HG2  ILE  22          HG23      ILE  22  -9.890  -4.014   0.894
  166   1HD1  ILE  22          HD11      ILE  22  -7.222  -4.087   2.266
  167   2HD1  ILE  22          HD12      ILE  22  -6.822  -3.400   3.856
  168   3HD1  ILE  22          HD13      ILE  22  -7.488  -5.028   3.750
  169    H    GLU  23           H        GLU  23 -11.448  -5.540   5.246
  170    HA   GLU  23           HA       GLU  23 -11.727  -3.562   7.371
  171   1HB   GLU  23          HB2       GLU  23 -14.044  -4.158   6.512
  172   2HB   GLU  23          HB3       GLU  23 -13.715  -5.840   6.958
  173   1HG   GLU  23          HG2       GLU  23 -13.360  -5.118   9.312
  174   2HG   GLU  23          HG3       GLU  23 -13.645  -3.441   8.828
  175    H    LYS  24           H        LYS  24 -10.777  -4.440   9.267
  176    HA   LYS  24           HA       LYS  24  -8.854  -6.429   9.030
  177   1HB   LYS  24          HB2       LYS  24  -8.949  -4.723  10.811
  178   2HB   LYS  24          HB3       LYS  24 -10.338  -5.535  11.539
  179   1HG   LYS  24          HG2       LYS  24  -8.906  -7.568  11.916
  180   2HG   LYS  24          HG3       LYS  24  -7.538  -6.697  11.217
  181   1HD   LYS  24          HD2       LYS  24  -7.924  -4.912  13.057
  182   2HD   LYS  24          HD3       LYS  24  -9.092  -6.040  13.753
  183   1HE   LYS  24          HE2       LYS  24  -7.242  -6.664  14.963
  184   2HE   LYS  24          HE3       LYS  24  -7.087  -7.771  13.597
  185   1HZ   LYS  24          HZ1       LYS  24  -5.598  -5.264  14.072
  186   2HZ   LYS  24          HZ2       LYS  24  -4.984  -6.768  13.926
  187   3HZ   LYS  24          HZ3       LYS  24  -5.581  -5.986  12.612
  188    H    GLY  25           H        GLY  25  -8.954  -8.608   8.840
  189   1HA   GLY  25          HA2       GLY  25  -9.676 -10.763   9.446
  190   2HA   GLY  25          HA3       GLY  25 -11.211 -10.123  10.017
  191    H    GLN  26           H        GLN  26 -10.968  -8.606   7.060
  192    HA   GLN  26           HA       GLN  26 -12.622 -10.593   5.697
  193   1HB   GLN  26          HB2       GLN  26 -12.756  -7.939   5.718
  194   2HB   GLN  26          HB3       GLN  26 -11.521  -8.045   4.465
  195   1HG   GLN  26          HG2       GLN  26 -14.336  -9.243   4.442
  196   2HG   GLN  26          HG3       GLN  26 -13.796  -7.826   3.541
  197   1HE2  GLN  26          HE22      GLN  26 -11.973  -8.221   1.893
  198   2HE2  GLN  26          HE21      GLN  26 -11.754  -9.831   1.246
  199    H    GLU  27           H        GLU  27 -11.866 -11.803   3.888
  200    HA   GLU  27           HA       GLU  27  -9.030 -12.474   3.884
  201   1HB   GLU  27          HB2       GLU  27 -10.832 -14.149   3.678
  202   2HB   GLU  27          HB3       GLU  27 -11.313 -13.450   2.127
  203   1HG   GLU  27          HG2       GLU  27  -9.109 -14.024   1.165
  204   2HG   GLU  27          HG3       GLU  27  -8.562 -14.619   2.735
  205    H    VAL  28           H        VAL  28  -7.504 -11.395   2.708
  206    HA   VAL  28           HA       VAL  28  -8.394  -9.877   0.306
  207    HB   VAL  28           HB       VAL  28  -6.492  -8.389   0.784
  208   1HG1  VAL  28          HG11      VAL  28  -8.847  -7.906   1.524
  209   2HG1  VAL  28          HG12      VAL  28  -8.458  -8.588   3.104
  210   3HG1  VAL  28          HG13      VAL  28  -7.604  -7.138   2.527
  211   1HG2  VAL  28          HG21      VAL  28  -6.306  -9.768   3.494
  212   2HG2  VAL  28          HG22      VAL  28  -5.091  -9.886   2.208
  213   3HG2  VAL  28          HG23      VAL  28  -5.425  -8.327   2.975
  214    H    ALA  29           H        ALA  29  -6.151 -12.387   1.477
  215    HA   ALA  29           HA       ALA  29  -5.682 -13.042  -1.303
  216   1HB   ALA  29          HB1       ALA  29  -3.881 -11.367  -0.964
  217   2HB   ALA  29          HB2       ALA  29  -3.301 -12.261   0.455
  218   3HB   ALA  29          HB3       ALA  29  -3.220 -12.990  -1.161
  219    H    ILE  30           H        ILE  30  -4.117 -15.016  -1.314
  220    HA   ILE  30           HA       ILE  30  -4.226 -16.606   1.189
  221    HB   ILE  30           HB       ILE  30  -5.007 -17.760  -1.524
  222   1HG1  ILE  30          HG12      ILE  30  -6.794 -17.182   0.885
  223   2HG1  ILE  30          HG13      ILE  30  -6.849 -16.376  -0.686
  224   1HG2  ILE  30          HG21      ILE  30  -3.812 -19.359  -0.092
  225   2HG2  ILE  30          HG22      ILE  30  -4.905 -19.012   1.264
  226   3HG2  ILE  30          HG23      ILE  30  -5.480 -19.829  -0.213
  227   1HD1  ILE  30          HD11      ILE  30  -7.637 -19.233  -0.078
  228   2HD1  ILE  30          HD12      ILE  30  -8.624 -17.915  -0.731
  229   3HD1  ILE  30          HD13      ILE  30  -7.339 -18.646  -1.730
  230    H    LEU  31           H        LEU  31  -2.393 -17.828   1.461
  231    HA   LEU  31           HA       LEU  31  -0.216 -17.657  -0.571
  232   1HB   LEU  31          HB2       LEU  31  -0.304 -18.479   2.348
  233   2HB   LEU  31          HB3       LEU  31   1.127 -18.694   1.355
  234    HG   LEU  31           HG       LEU  31  -0.143 -16.017   2.005
  235   1HD1  LEU  31          HD11      LEU  31   0.939 -17.218   3.947
  236   2HD1  LEU  31          HD12      LEU  31   2.445 -17.298   3.014
  237   3HD1  LEU  31          HD13      LEU  31   1.773 -15.732   3.507
  238   1HD2  LEU  31          HD21      LEU  31   2.437 -16.704   0.553
  239   2HD2  LEU  31          HD22      LEU  31   1.012 -15.899  -0.140
  240   3HD2  LEU  31          HD23      LEU  31   1.957 -15.080   1.105
  241    H    GLU  32           H        GLU  32   0.246 -19.384  -1.636
  242    HA   GLU  32           HA       GLU  32  -0.132 -22.087  -0.496
  243   1HB   GLU  32          HB2       GLU  32  -0.311 -22.132  -2.901
  244   2HB   GLU  32          HB3       GLU  32   1.014 -21.000  -3.120
  245   1HG   GLU  32          HG2       GLU  32   1.678 -23.594  -1.737
  246   2HG   GLU  32          HG3       GLU  32   1.223 -23.677  -3.431
  247    H    SER  33           H        SER  33   1.521 -22.709   0.786
  248    HA   SER  33           HA       SER  33   4.080 -21.188   0.784
  249   1HB   SER  33          HB2       SER  33   2.119 -21.684   3.013
  250   2HB   SER  33          HB3       SER  33   3.854 -21.719   3.373
  251    HG   SER  33           HG       SER  33   4.063 -19.663   2.594
  252    H    MET  34           H        MET  34   4.712 -22.887  -0.600
  253    HA   MET  34           HA       MET  34   5.703 -24.828  -1.092
  254   1HB   MET  34          HB2       MET  34   6.371 -25.173   1.847
  255   2HB   MET  34          HB3       MET  34   7.267 -25.757   0.443
  256   1HG   MET  34          HG2       MET  34   6.951 -22.895   1.407
  257   2HG   MET  34          HG3       MET  34   8.420 -23.855   1.401
  258   1HE   MET  34          HE1       MET  34   8.664 -20.683  -1.142
  259   2HE   MET  34          HE2       MET  34   7.526 -20.795   0.216
  260   3HE   MET  34          HE3       MET  34   9.219 -21.295   0.434
  261    H    LYS  35           H        BTL  35   3.049 -24.928  -0.925
  262    HA   LYS  35           HA       BTL  35   1.445 -26.325  -1.355
  263   1HB   LYS  35          HB2       BTL  35   2.912 -28.673  -0.108
  264   2HB   LYS  35          HB3       BTL  35   1.487 -28.704  -1.143
  265   1HG   LYS  35          HG2       BTL  35   2.877 -27.570  -2.947
  266   2HG   LYS  35          HG3       BTL  35   4.305 -27.898  -1.951
  267   1HD   LYS  35          HD2       BTL  35   3.680 -30.344  -1.957
  268   2HD   LYS  35          HD3       BTL  35   2.374 -29.966  -3.091
  269   1HE   LYS  35          HE2       BTL  35   5.365 -29.588  -3.553
  270   2HE   LYS  35          HE3       BTL  35   4.332 -30.814  -4.303
  271   1HZ   LYS  35          HZ1       BTL  35   4.431 -27.921  -4.879
  272    H    MET  36           H        MET  36   2.120 -25.086   1.561
  273    HA   MET  36           HA       MET  36  -0.212 -26.313   2.935
  274   1HB   MET  36          HB2       MET  36   1.718 -24.123   3.805
  275   2HB   MET  36          HB3       MET  36   0.427 -24.825   4.780
  276   1HG   MET  36          HG2       MET  36   1.504 -27.047   4.632
  277   2HG   MET  36          HG3       MET  36   2.828 -26.354   3.697
  278   1HE   MET  36          HE1       MET  36   4.796 -24.206   6.246
  279   2HE   MET  36          HE2       MET  36   4.731 -24.891   4.607
  280   3HE   MET  36          HE3       MET  36   3.578 -23.627   5.090
  281    H    GLU  37           H        GLU  37  -2.136 -25.203   3.121
  282    HA   GLU  37           HA       GLU  37  -2.605 -22.736   1.569
  283   1HB   GLU  37          HB2       GLU  37  -4.303 -24.503   1.536
  284   2HB   GLU  37          HB3       GLU  37  -4.317 -24.594   3.296
  285   1HG   GLU  37          HG2       GLU  37  -5.257 -22.290   3.413
  286   2HG   GLU  37          HG3       GLU  37  -5.266 -22.205   1.659
  287    H    ILE  38           H        ILE  38  -2.389 -20.705   2.559
  288    HA   ILE  38           HA       ILE  38  -3.080 -20.550   5.444
  289    HB   ILE  38           HB       ILE  38  -0.738 -19.043   4.291
  290   1HG1  ILE  38          HG12      ILE  38  -0.624 -21.494   6.090
  291   2HG1  ILE  38          HG13      ILE  38  -0.131 -21.432   4.391
  292   1HG2  ILE  38          HG21      ILE  38  -1.667 -19.392   7.167
  293   2HG2  ILE  38          HG22      ILE  38  -0.332 -18.363   6.598
  294   3HG2  ILE  38          HG23      ILE  38  -1.982 -17.960   6.164
  295   1HD1  ILE  38          HD11      ILE  38   1.849 -21.318   5.666
  296   2HD1  ILE  38          HD12      ILE  38   1.574 -19.704   4.980
  297   3HD1  ILE  38          HD13      ILE  38   1.224 -20.023   6.699
  298    HA   PRO  39           HA       PRO  39  -5.711 -17.463   3.253
  299   1HB   PRO  39          HB2       PRO  39  -6.671 -17.143   6.096
  300   2HB   PRO  39          HB3       PRO  39  -7.627 -17.288   4.595
  301   1HG   PRO  39          HG2       PRO  39  -7.401 -19.398   6.304
  302   2HG   PRO  39          HG3       PRO  39  -7.344 -19.649   4.529
  303   1HD   PRO  39          HD2       PRO  39  -5.022 -19.488   6.470
  304   2HD   PRO  39          HD3       PRO  39  -5.302 -20.648   5.134
  305    H    ILE  40           H        ILE  40  -5.469 -15.182   3.200
  306    HA   ILE  40           HA       ILE  40  -3.890 -13.914   5.379
  307    HB   ILE  40           HB       ILE  40  -3.783 -13.112   2.463
  308   1HG1  ILE  40          HG12      ILE  40  -2.798 -15.342   2.580
  309   2HG1  ILE  40          HG13      ILE  40  -1.596 -14.123   2.247
  310   1HG2  ILE  40          HG21      ILE  40  -1.754 -11.877   3.215
  311   2HG2  ILE  40          HG22      ILE  40  -3.240 -11.314   3.992
  312   3HG2  ILE  40          HG23      ILE  40  -2.108 -12.344   4.889
  313   1HD1  ILE  40          HD11      ILE  40  -1.946 -14.943   5.135
  314   2HD1  ILE  40          HD12      ILE  40  -1.190 -16.073   4.021
  315   3HD1  ILE  40          HD13      ILE  40  -0.493 -14.449   4.251
  316    H    VAL  41           H        VAL  41  -5.553 -13.195   6.498
  317    HA   VAL  41           HA       VAL  41  -7.696 -11.628   5.229
  318    HB   VAL  41           HB       VAL  41  -8.471 -11.466   7.649
  319   1HG1  VAL  41          HG11      VAL  41  -8.338 -14.213   6.313
  320   2HG1  VAL  41          HG12      VAL  41  -9.449 -13.763   7.624
  321   3HG1  VAL  41          HG13      VAL  41  -9.571 -12.960   6.065
  322   1HG2  VAL  41          HG21      VAL  41  -7.709 -13.116   9.256
  323   2HG2  VAL  41          HG22      VAL  41  -6.610 -13.863   8.086
  324   3HG2  VAL  41          HG23      VAL  41  -6.281 -12.222   8.716
  325    H    ALA  42           H        ALA  42  -7.996  -9.424   5.759
  326    HA   ALA  42           HA       ALA  42  -5.634  -7.878   5.740
  327   1HB   ALA  42          HB1       ALA  42  -8.459  -7.013   6.493
  328   2HB   ALA  42          HB2       ALA  42  -7.142  -5.974   5.922
  329   3HB   ALA  42          HB3       ALA  42  -7.866  -7.166   4.832
  330    H    ASP  43           H        ASP  43  -4.418  -7.119   7.355
  331    HA   ASP  43           HA       ASP  43  -5.032  -7.554  10.167
  332   1HB   ASP  43          HB2       ASP  43  -2.720  -7.563   9.329
  333   2HB   ASP  43          HB3       ASP  43  -2.886  -5.880   8.811
  334    H    ARG  44           H        ARG  44  -5.975  -5.096   7.910
  335    HA   ARG  44           HA       ARG  44  -6.728  -3.218  10.080
  336   1HB   ARG  44          HB2       ARG  44  -5.186  -2.512   7.529
  337   2HB   ARG  44          HB3       ARG  44  -5.813  -1.339   8.675
  338   1HG   ARG  44          HG2       ARG  44  -3.561  -3.317   9.192
  339   2HG   ARG  44          HG3       ARG  44  -3.424  -1.593   8.893
  340   1HD   ARG  44          HD2       ARG  44  -5.207  -1.717  11.049
  341   2HD   ARG  44          HD3       ARG  44  -4.072  -3.016  11.402
  342    HE   ARG  44           HE       ARG  44  -3.629  -0.137  11.401
  343   1HH1  ARG  44          HH21      ARG  44  -1.925  -3.302  11.334
  344   2HH1  ARG  44          HH22      ARG  44  -0.428  -2.608  11.843
  345   1HH2  ARG  44          HH11      ARG  44  -1.631   0.711  12.098
  346   2HH2  ARG  44          HH12      ARG  44  -0.261  -0.309  12.303
  347    H    SER  45           H        SER  45  -8.036  -1.364   9.022
  348    HA   SER  45           HA       SER  45  -9.874  -2.434   6.933
  349   1HB   SER  45          HB2       SER  45 -10.500  -0.539   9.240
  350   2HB   SER  45          HB3       SER  45 -11.657  -1.227   8.087
  351    HG   SER  45           HG       SER  45 -11.489  -2.263  10.217
  352    H    GLY  46           H        GLY  46 -10.550  -0.885   5.341
  353   1HA   GLY  46          HA2       GLY  46 -10.491   1.807   5.315
  354   2HA   GLY  46          HA3       GLY  46  -8.779   1.443   5.044
  355    H    ILE  47           H        ILE  47  -9.610   2.775   3.072
  356    HA   ILE  47           HA       ILE  47 -10.581   1.035   0.891
  357    HB   ILE  47           HB       ILE  47  -9.645   3.934   0.981
  358   1HG1  ILE  47          HG12      ILE  47 -11.858   3.597   2.023
  359   2HG1  ILE  47          HG13      ILE  47 -11.933   4.571   0.568
  360   1HG2  ILE  47          HG21      ILE  47 -10.542   4.078  -1.374
  361   2HG2  ILE  47          HG22      ILE  47  -9.059   3.141  -1.200
  362   3HG2  ILE  47          HG23      ILE  47 -10.610   2.301  -1.394
  363   1HD1  ILE  47          HD11      ILE  47 -12.828   2.649  -0.716
  364   2HD1  ILE  47          HD12      ILE  47 -12.715   1.627   0.736
  365   3HD1  ILE  47          HD13      ILE  47 -13.821   3.010   0.701
  366    H    VAL  48           H        VAL  48  -9.188   0.023  -0.468
  367    HA   VAL  48           HA       VAL  48  -6.361  -0.152   0.121
  368    HB   VAL  48           HB       VAL  48  -8.027  -1.072  -2.258
  369   1HG1  VAL  48          HG11      VAL  48  -5.154  -1.667  -1.436
  370   2HG1  VAL  48          HG12      VAL  48  -6.070  -2.650  -2.612
  371   3HG1  VAL  48          HG13      VAL  48  -5.712  -0.960  -2.951
  372   1HG2  VAL  48          HG21      VAL  48  -8.761  -2.193  -0.202
  373   2HG2  VAL  48          HG22      VAL  48  -7.889  -3.324  -1.236
  374   3HG2  VAL  48          HG23      VAL  48  -7.088  -2.627   0.191
  375    H    LYS  49           H        LYS  49  -4.810   1.245  -0.577
  376    HA   LYS  49           HA       LYS  49  -5.459   3.269  -2.642
  377   1HB   LYS  49          HB2       LYS  49  -4.206   4.007  -0.643
  378   2HB   LYS  49          HB3       LYS  49  -2.957   2.792  -0.957
  379   1HG   LYS  49          HG2       LYS  49  -2.463   3.882  -3.143
  380   2HG   LYS  49          HG3       LYS  49  -3.702   5.110  -2.801
  381   1HD   LYS  49          HD2       LYS  49  -2.468   5.852  -0.829
  382   2HD   LYS  49          HD3       LYS  49  -1.301   4.537  -1.012
  383   1HE   LYS  49          HE2       LYS  49  -1.720   6.721  -3.090
  384   2HE   LYS  49          HE3       LYS  49  -0.522   6.807  -1.787
  385   1HZ   LYS  49          HZ1       LYS  49   0.564   5.970  -3.695
  386   2HZ   LYS  49          HZ2       LYS  49   0.413   4.701  -2.657
  387   3HZ   LYS  49          HZ3       LYS  49  -0.563   4.823  -3.974
  388    H    GLU  50           H        GLU  50  -3.172   0.477  -1.964
  389    HA   GLU  50           HA       GLU  50  -3.022  -0.004  -4.871
  390   1HB   GLU  50          HB2       GLU  50  -1.206   1.713  -3.846
  391   2HB   GLU  50          HB3       GLU  50  -0.438   0.224  -3.301
  392   1HG   GLU  50          HG2       GLU  50  -0.370  -0.599  -5.622
  393   2HG   GLU  50          HG3       GLU  50  -1.259   0.839  -6.160
  394    H    VAL  51           H        VAL  51  -2.247  -2.161  -5.316
  395    HA   VAL  51           HA       VAL  51  -1.971  -3.951  -2.948
  396    HB   VAL  51           HB       VAL  51  -2.825  -4.823  -5.734
  397   1HG1  VAL  51          HG11      VAL  51  -1.800  -6.535  -4.213
  398   2HG1  VAL  51          HG12      VAL  51  -3.033  -6.171  -2.994
  399   3HG1  VAL  51          HG13      VAL  51  -3.497  -6.868  -4.563
  400   1HG2  VAL  51          HG21      VAL  51  -4.642  -3.378  -4.879
  401   2HG2  VAL  51          HG22      VAL  51  -5.118  -5.076  -4.866
  402   3HG2  VAL  51          HG23      VAL  51  -4.643  -4.287  -3.350
  403    H    LYS  52           H        LYS  52   0.067  -4.736  -2.752
  404    HA   LYS  52           HA       LYS  52   2.033  -3.702  -4.672
  405   1HB   LYS  52          HB2       LYS  52   2.492  -5.121  -2.023
  406   2HB   LYS  52          HB3       LYS  52   3.610  -4.082  -2.895
  407   1HG   LYS  52          HG2       LYS  52   1.027  -3.200  -1.526
  408   2HG   LYS  52          HG3       LYS  52   2.646  -2.945  -0.923
  409   1HD   LYS  52          HD2       LYS  52   1.646  -1.741  -3.544
  410   2HD   LYS  52          HD3       LYS  52   1.509  -0.965  -1.976
  411   1HE   LYS  52          HE2       LYS  52   4.037  -1.253  -1.713
  412   2HE   LYS  52          HE3       LYS  52   4.068  -1.691  -3.432
  413   1HZ   LYS  52          HZ1       LYS  52   3.118   0.872  -2.272
  414   2HZ   LYS  52          HZ2       LYS  52   4.473   0.653  -3.176
  415   3HZ   LYS  52          HZ3       LYS  52   2.987   0.480  -3.868
  416    H    LYS  53           H        LYS  53   0.336  -6.522  -4.676
  417    HA   LYS  53           HA       LYS  53   2.399  -8.077  -6.060
  418   1HB   LYS  53          HB2       LYS  53   0.855  -9.082  -3.617
  419   2HB   LYS  53          HB3       LYS  53   1.794 -10.123  -4.697
  420   1HG   LYS  53          HG2       LYS  53   3.027  -7.892  -3.035
  421   2HG   LYS  53          HG3       LYS  53   2.903  -9.574  -2.539
  422   1HD   LYS  53          HD2       LYS  53   4.207 -10.305  -4.484
  423   2HD   LYS  53          HD3       LYS  53   4.361  -8.622  -5.050
  424   1HE   LYS  53          HE2       LYS  53   5.663  -8.004  -3.143
  425   2HE   LYS  53          HE3       LYS  53   5.249  -9.493  -2.295
  426   1HZ   LYS  53          HZ1       LYS  53   6.498 -10.715  -4.022
  427   2HZ   LYS  53          HZ2       LYS  53   7.060  -9.272  -4.613
  428   3HZ   LYS  53          HZ3       LYS  53   7.384  -9.760  -3.057
  429    H    LYS  54           H        LYS  54   1.080 -10.258  -6.728
  430    HA   LYS  54           HA       LYS  54  -1.751  -9.749  -7.254
  431   1HB   LYS  54          HB2       LYS  54  -1.550 -10.155  -9.659
  432   2HB   LYS  54          HB3       LYS  54  -0.680  -8.694  -9.198
  433   1HG   LYS  54          HG2       LYS  54   1.476  -9.931  -9.286
  434   2HG   LYS  54          HG3       LYS  54   0.612 -11.418  -9.718
  435   1HD   LYS  54          HD2       LYS  54  -0.227 -10.332 -11.785
  436   2HD   LYS  54          HD3       LYS  54   0.649  -8.845 -11.354
  437   1HE   LYS  54          HE2       LYS  54   2.792 -10.107 -11.385
  438   2HE   LYS  54          HE3       LYS  54   1.920 -11.584 -11.813
  439   1HZ   LYS  54          HZ1       LYS  54   2.870 -10.523 -13.759
  440   2HZ   LYS  54          HZ2       LYS  54   1.247 -10.508 -13.884
  441   3HZ   LYS  54          HZ3       LYS  54   2.054  -9.142 -13.487
  442    H    GLU  55           H        GLU  55  -2.725 -11.769  -8.228
  443    HA   GLU  55           HA       GLU  55  -2.206 -14.101  -6.886
  444   1HB   GLU  55          HB2       GLU  55  -3.198 -13.939  -9.766
  445   2HB   GLU  55          HB3       GLU  55  -3.355 -15.305  -8.666
  446   1HG   GLU  55          HG2       GLU  55  -5.401 -14.442  -8.303
  447   2HG   GLU  55          HG3       GLU  55  -4.540 -13.488  -7.113
  448    H    GLY  56           H        GLY  56  -0.531 -15.417  -6.752
  449   1HA   GLY  56          HA2       GLY  56   0.952 -17.016  -7.474
  450   2HA   GLY  56          HA3       GLY  56   0.793 -16.446  -9.141
  451    H    ASP  57           H        ASP  57   1.487 -13.706  -7.192
  452    HA   ASP  57           HA       ASP  57   4.229 -13.586  -8.109
  453   1HB   ASP  57          HB2       ASP  57   2.596 -11.626  -7.424
  454   2HB   ASP  57          HB3       ASP  57   3.185 -11.940  -5.803
  455    H    PHE  58           H        PHE  58   6.087 -13.490  -6.611
  456    HA   PHE  58           HA       PHE  58   6.023 -15.700  -4.622
  457   1HB   PHE  58          HB2       PHE  58   7.902 -15.602  -6.233
  458   2HB   PHE  58          HB3       PHE  58   8.292 -13.973  -5.691
  459    HD1  PHE  58           HD1      PHE  58   9.701 -13.624  -3.774
  460    HD2  PHE  58           HD2      PHE  58   8.047 -17.536  -4.542
  461    HE1  PHE  58           HE1      PHE  58  11.154 -14.591  -2.008
  462    HE2  PHE  58           HE2      PHE  58   9.501 -18.496  -2.777
  463    HZ   PHE  58           HZ       PHE  58  11.070 -17.028  -1.519
  464    H    VAL  59           H        VAL  59   6.359 -15.269  -2.395
  465    HA   VAL  59           HA       VAL  59   6.568 -12.472  -1.499
  466    HB   VAL  59           HB       VAL  59   4.558 -12.955   0.012
  467   1HG1  VAL  59          HG11      VAL  59   4.523 -11.283  -1.770
  468   2HG1  VAL  59          HG12      VAL  59   3.949 -12.508  -2.930
  469   3HG1  VAL  59          HG13      VAL  59   2.946 -12.041  -1.547
  470   1HG2  VAL  59          HG21      VAL  59   3.856 -14.954  -2.188
  471   2HG2  VAL  59          HG22      VAL  59   4.207 -15.338  -0.484
  472   3HG2  VAL  59          HG23      VAL  59   2.780 -14.375  -0.923
  473    H    ASN  60           H        ASN  60   6.880 -12.347   0.881
  474    HA   ASN  60           HA       ASN  60   7.748 -14.803   2.147
  475   1HB   ASN  60          HB2       ASN  60   9.662 -13.284   0.639
  476   2HB   ASN  60          HB3       ASN  60   9.986 -12.940   2.332
  477   1HD2  ASN  60          HD22      ASN  60   9.125 -15.737   0.199
  478   2HD2  ASN  60          HD21      ASN  60  10.230 -16.865   0.957
  479    H    GLU  61           H        GLU  61   8.777 -14.313   4.331
  480    HA   GLU  61           HA       GLU  61   6.956 -12.825   5.913
  481   1HB   GLU  61          HB2       GLU  61   8.443 -14.700   6.664
  482   2HB   GLU  61          HB3       GLU  61   9.842 -13.632   6.506
  483   1HG   GLU  61          HG2       GLU  61   8.738 -12.083   8.188
  484   2HG   GLU  61          HG3       GLU  61   7.465 -13.289   8.375
  485    H    GLY  62           H        GLY  62   6.652 -10.675   5.924
  486   1HA   GLY  62          HA2       GLY  62   7.231  -8.501   6.446
  487   2HA   GLY  62          HA3       GLY  62   8.935  -8.828   6.111
  488    H    ASP  63           H        ASP  63   7.231 -10.124   3.482
  489    HA   ASP  63           HA       ASP  63   8.020  -7.882   1.777
  490   1HB   ASP  63          HB2       ASP  63   8.313 -10.355   1.228
  491   2HB   ASP  63          HB3       ASP  63   6.562 -10.439   1.012
  492    H    VAL  64           H        VAL  64   6.577  -6.450   0.842
  493    HA   VAL  64           HA       VAL  64   4.203  -5.907   2.309
  494    HB   VAL  64           HB       VAL  64   3.909  -4.102   0.590
  495   1HG1  VAL  64          HG11      VAL  64   6.654  -4.261   1.894
  496   2HG1  VAL  64          HG12      VAL  64   5.815  -2.790   1.358
  497   3HG1  VAL  64          HG13      VAL  64   5.145  -3.754   2.684
  498   1HG2  VAL  64          HG21      VAL  64   6.610  -5.003  -0.514
  499   2HG2  VAL  64          HG22      VAL  64   5.062  -5.274  -1.333
  500   3HG2  VAL  64          HG23      VAL  64   5.629  -3.622  -1.033
  501    H    LEU  65           H        LEU  65   2.025  -5.658   1.556
  502    HA   LEU  65           HA       LEU  65   1.227  -7.401  -0.738
  503   1HB   LEU  65          HB2       LEU  65   0.900  -8.693   1.308
  504   2HB   LEU  65          HB3       LEU  65   0.112  -7.329   2.095
  505    HG   LEU  65           HG       LEU  65  -1.772  -7.475   0.442
  506   1HD1  LEU  65          HD11      LEU  65  -2.022  -9.554  -0.879
  507   2HD1  LEU  65          HD12      LEU  65  -0.653  -8.589  -1.434
  508   3HD1  LEU  65          HD13      LEU  65  -0.366 -10.030  -0.435
  509   1HD2  LEU  65          HD21      LEU  65  -2.812  -9.442   1.434
  510   2HD2  LEU  65          HD22      LEU  65  -1.237  -9.968   2.058
  511   3HD2  LEU  65          HD23      LEU  65  -1.972  -8.464   2.647
  512    H    LEU  66           H        LEU  66   0.260  -4.706   1.528
  513    HA   LEU  66           HA       LEU  66  -1.567  -3.653  -0.563
  514   1HB   LEU  66          HB2       LEU  66  -2.221  -4.857   2.109
  515   2HB   LEU  66          HB3       LEU  66  -3.055  -3.379   1.725
  516    HG   LEU  66           HG       LEU  66  -3.104  -5.754  -0.176
  517   1HD1  LEU  66          HD11      LEU  66  -5.276  -6.332   0.875
  518   2HD1  LEU  66          HD12      LEU  66  -3.937  -6.509   2.012
  519   3HD1  LEU  66          HD13      LEU  66  -5.005  -5.095   2.121
  520   1HD2  LEU  66          HD21      LEU  66  -3.782  -3.623  -1.146
  521   2HD2  LEU  66          HD22      LEU  66  -5.231  -4.598  -0.881
  522   3HD2  LEU  66          HD23      LEU  66  -4.842  -3.287   0.237
  523    H    GLU  67           H        GLU  67  -1.989  -1.523  -0.326
  524    HA   GLU  67           HA       GLU  67  -0.745   0.025   1.884
  525   1HB   GLU  67          HB2       GLU  67   0.584  -0.042  -0.255
  526   2HB   GLU  67          HB3       GLU  67  -0.793   0.663  -1.102
  527   1HG   GLU  67          HG2       GLU  67  -0.585   2.697   0.237
  528   2HG   GLU  67          HG3       GLU  67   0.741   1.984   1.172
  529    H    LEU  68           H        LEU  68  -2.251   1.385   2.779
  530    HA   LEU  68           HA       LEU  68  -4.958   1.358   1.491
  531   1HB   LEU  68          HB2       LEU  68  -4.345   1.324   4.456
  532   2HB   LEU  68          HB3       LEU  68  -5.897   1.143   3.668
  533    HG   LEU  68           HG       LEU  68  -3.639  -0.886   3.613
  534   1HD1  LEU  68          HD11      LEU  68  -5.065  -2.249   5.019
  535   2HD1  LEU  68          HD12      LEU  68  -4.855  -0.670   5.790
  536   3HD1  LEU  68          HD13      LEU  68  -6.371  -1.039   4.951
  537   1HD2  LEU  68          HD21      LEU  68  -6.430  -1.087   2.408
  538   2HD2  LEU  68          HD22      LEU  68  -4.891  -1.031   1.515
  539   3HD2  LEU  68          HD23      LEU  68  -5.242  -2.408   2.538
  540    H    SER  69           H        SER  69  -5.984   3.279   1.310
  541    HA   SER  69           HA       SER  69  -4.703   5.743   1.635
  542   1HB   SER  69          HB2       SER  69  -7.692   5.218   1.657
  543   2HB   SER  69          HB3       SER  69  -6.850   6.669   1.075
  544    HG   SER  69           HG       SER  69  -7.412   5.355  -0.670
  545    H    ASN  70           H        ASN  70  -6.743   3.896   3.866
  546    HA   ASN  70           HA       ASN  70  -7.199   5.928   5.808
  547   1HB   ASN  70          HB2       ASN  70  -8.481   3.790   5.597
  548   2HB   ASN  70          HB3       ASN  70  -7.059   2.913   6.192
  549   1HD2  ASN  70          HD22      ASN  70  -8.089   2.120   8.094
  550   2HD2  ASN  70          HD21      ASN  70  -8.546   3.186   9.407
  551    H    SER  71           H        SER  71  -4.257   4.302   5.007
  552    HA   SER  71           HA       SER  71  -3.077   4.947   7.668
  553   1HB   SER  71          HB2       SER  71  -2.329   2.719   5.747
  554   2HB   SER  71          HB3       SER  71  -1.667   3.011   7.368
  555    HG   SER  71           HG       SER  71  -3.264   1.458   7.543
  556    H    THR  72           H        THR  72  -2.685   5.287   4.095
  557    HA   THR  72           HA       THR  72  -0.041   6.434   4.426
  558    HB   THR  72           HB       THR  72  -0.385   7.018   1.982
  559    HG1  THR  72           HG1      THR  72  -2.567   7.106   1.769
  560   1HG2  THR  72          HG21      THR  72  -0.921   4.096   2.668
  561   2HG2  THR  72          HG22      THR  72  -0.164   4.757   1.200
  562   3HG2  THR  72          HG23      THR  72   0.673   4.879   2.752
  563    H    GLN  73           H        GLN  73  -3.269   7.683   4.748
  564    HA   GLN  73           HA       GLN  73  -2.909  10.370   4.052
  565   1HB   GLN  73          HB2       GLN  73  -4.747  10.864   5.570
  566   2HB   GLN  73          HB3       GLN  73  -5.090   9.450   4.576
  567   1HG   GLN  73          HG2       GLN  73  -4.496   7.980   6.515
  568   2HG   GLN  73          HG3       GLN  73  -4.245   9.413   7.512
  569   1HE2  GLN  73          HE22      GLN  73  -6.191   7.170   7.808
  570   2HE2  GLN  73          HE21      GLN  73  -7.765   7.933   7.888
  571    HN3  BTI 135           HN3      BTL  35  -4.561 -25.534  -2.104
  572    HN2  BTI 135           HN2      BTL  35  -2.709 -25.214  -5.657
  573    H4   BTI 135           H4       BTL  35  -1.407 -23.930  -3.886
  574    H2   BTI 135           H2       BTL  35   0.224 -25.547  -3.329
  575    H62  BTI 135           H62      BTL  35  -1.012 -25.807  -1.003
  576    H63  BTI 135           H63      BTL  35  -2.545 -26.708  -0.937
  577    H5   BTI 135           H5       BTL  35  -2.451 -24.152  -1.817
  578    H72  BTI 135           H72      BTL  35  -0.974 -26.971  -5.709
  579    H73  BTI 135           H73      BTL  35  -0.203 -25.376  -5.838
  580    H82  BTI 135           H82      BTL  35   1.897 -26.244  -4.962
  581    H83  BTI 135           H83      BTL  35   1.157 -27.833  -4.679
  582    H92  BTI 135           H92      BTL  35   0.787 -28.135  -7.081
  583    H93  BTI 135           H93      BTL  35   1.372 -26.502  -7.420
  584   H102  BTI 135          H102      BTL  35   3.081 -28.199  -7.951
  585   H103  BTI 135          H103      BTL  35   3.621 -27.083  -6.699
  Start of MODEL   15
    1   1H    THR   2           H1       THR   2   0.989  -1.801   3.385
    2   2H    THR   2           H2       THR   2   1.476  -0.352   3.978
    3   3H    THR   2           H3       THR   2   2.171  -1.738   4.529
    4    HA   THR   2           HA       THR   2   0.692  -0.874   6.153
    5    HB   THR   2           HB       THR   2  -1.535  -1.234   4.136
    6    HG1  THR   2           HG1      THR   2  -0.413   1.223   4.986
    7   1HG2  THR   2          HG21      THR   2  -1.426   0.040   6.901
    8   2HG2  THR   2          HG22      THR   2  -2.770   0.233   5.759
    9   3HG2  THR   2          HG23      THR   2  -2.379  -1.374   6.386
   10    H    VAL   3           H        VAL   3  -0.627  -3.424   3.850
   11    HA   VAL   3           HA       VAL   3  -0.555  -5.320   6.154
   12    HB   VAL   3           HB       VAL   3  -2.061  -5.743   3.557
   13   1HG1  VAL   3          HG11      VAL   3  -2.406  -6.914   6.343
   14   2HG1  VAL   3          HG12      VAL   3  -3.401  -7.295   4.920
   15   3HG1  VAL   3          HG13      VAL   3  -1.693  -7.739   4.937
   16   1HG2  VAL   3          HG21      VAL   3  -3.081  -3.703   4.493
   17   2HG2  VAL   3          HG22      VAL   3  -4.159  -5.075   4.717
   18   3HG2  VAL   3          HG23      VAL   3  -3.198  -4.473   6.091
   19    H    SER   4           H        SER   4   0.625  -7.269   5.782
   20    HA   SER   4           HA       SER   4   2.284  -7.454   3.339
   21   1HB   SER   4          HB2       SER   4   3.358  -7.370   6.188
   22   2HB   SER   4          HB3       SER   4   4.321  -7.614   4.730
   23    HG   SER   4           HG       SER   4   4.354  -5.431   5.515
   24    H    ILE   5           H        ILE   5   3.512  -9.463   3.356
   25    HA   ILE   5           HA       ILE   5   1.844 -11.722   4.124
   26    HB   ILE   5           HB       ILE   5   4.440 -11.389   2.545
   27   1HG1  ILE   5          HG12      ILE   5   2.692 -10.328   1.334
   28   2HG1  ILE   5          HG13      ILE   5   2.943 -11.878   0.579
   29   1HG2  ILE   5          HG21      ILE   5   3.949 -13.713   1.680
   30   2HG2  ILE   5          HG22      ILE   5   4.450 -13.640   3.349
   31   3HG2  ILE   5          HG23      ILE   5   2.725 -13.849   2.940
   32   1HD1  ILE   5          HD11      ILE   5   0.642 -11.122   2.407
   33   2HD1  ILE   5          HD12      ILE   5   0.589 -11.458   0.675
   34   3HD1  ILE   5          HD13      ILE   5   0.928 -12.778   1.809
   35    H    GLN   6           H        GLN   6   2.670 -13.576   5.223
   36    HA   GLN   6           HA       GLN   6   4.541 -12.890   7.438
   37   1HB   GLN   6          HB2       GLN   6   2.928 -13.819   8.977
   38   2HB   GLN   6          HB3       GLN   6   2.165 -12.581   7.984
   39   1HG   GLN   6          HG2       GLN   6   1.316 -14.548   6.488
   40   2HG   GLN   6          HG3       GLN   6   1.831 -15.609   7.798
   41   1HE2  GLN   6          HE22      GLN   6  -0.278 -12.832   6.981
   42   2HE2  GLN   6          HE21      GLN   6  -1.457 -13.117   8.239
   43    H    MET   7           H        MET   7   4.415 -14.925   4.847
   44    HA   MET   7           HA       MET   7   6.140 -16.841   6.189
   45   1HB   MET   7          HB2       MET   7   3.361 -17.529   5.669
   46   2HB   MET   7          HB3       MET   7   4.370 -18.455   4.567
   47   1HG   MET   7          HG2       MET   7   4.689 -18.299   7.587
   48   2HG   MET   7          HG3       MET   7   3.969 -19.638   6.702
   49   1HE   MET   7          HE1       MET   7   5.622 -20.450   4.382
   50   2HE   MET   7          HE2       MET   7   6.901 -21.481   5.058
   51   3HE   MET   7          HE3       MET   7   5.238 -21.603   5.675
   52    H    ALA   8           H        ALA   8   7.313 -18.153   4.651
   53    HA   ALA   8           HA       ALA   8   7.931 -16.821   2.124
   54   1HB   ALA   8          HB1       ALA   8   9.552 -18.688   1.898
   55   2HB   ALA   8          HB2       ALA   8   9.727 -17.835   3.449
   56   3HB   ALA   8          HB3       ALA   8   8.912 -19.420   3.381
   57    H    GLY   9           H        GLY   9   6.865 -17.203   0.225
   58   1HA   GLY   9          HA2       GLY   9   5.673 -19.738  -0.444
   59   2HA   GLY   9          HA3       GLY   9   4.504 -18.686   0.361
   60    H    ASN  10           H        ASN  10   3.315 -18.862  -1.576
   61    HA   ASN  10           HA       ASN  10   4.121 -16.968  -3.728
   62   1HB   ASN  10          HB2       ASN  10   3.036 -19.795  -4.105
   63   2HB   ASN  10          HB3       ASN  10   3.175 -18.584  -5.379
   64   1HD2  ASN  10          HD21      ASN  10   4.939 -20.903  -3.388
   65   2HD2  ASN  10          HD22      ASN  10   6.514 -20.626  -4.113
   66    H    LEU  11           H        LEU  11   2.389 -15.699  -4.276
   67    HA   LEU  11           HA       LEU  11   0.225 -15.723  -2.368
   68   1HB   LEU  11          HB2       LEU  11   1.634 -13.746  -3.182
   69   2HB   LEU  11          HB3       LEU  11   0.715 -13.810  -4.671
   70    HG   LEU  11           HG       LEU  11  -1.398 -13.447  -3.328
   71   1HD1  LEU  11          HD11      LEU  11   0.604 -13.244  -1.031
   72   2HD1  LEU  11          HD12      LEU  11  -1.012 -12.525  -0.962
   73   3HD1  LEU  11          HD13      LEU  11  -0.846 -14.272  -1.127
   74   1HD2  LEU  11          HD21      LEU  11  -0.949 -11.078  -2.918
   75   2HD2  LEU  11          HD22      LEU  11   0.802 -11.388  -2.864
   76   3HD2  LEU  11          HD23      LEU  11  -0.110 -11.591  -4.381
   77    H    TRP  12           H        TRP  12  -0.488 -17.821  -3.254
   78    HA   TRP  12           HA       TRP  12  -1.525 -18.669  -5.533
   79   1HB   TRP  12          HB2       TRP  12  -1.464 -19.919  -3.502
   80   2HB   TRP  12          HB3       TRP  12  -2.617 -18.863  -2.718
   81    HD1  TRP  12           HD1      TRP  12  -4.129 -19.887  -5.954
   82    HE1  TRP  12           HE1      TRP  12  -5.814 -21.752  -5.580
   83    HE3  TRP  12           HE3      TRP  12  -2.814 -21.184  -1.199
   84    HZ2  TRP  12           HZ2      TRP  12  -6.697 -23.420  -3.371
   85    HZ3  TRP  12           HZ3      TRP  12  -4.136 -22.839   0.041
   86    HH2  TRP  12           HH2      TRP  12  -6.085 -23.973  -1.016
   87    H    LYS  13           H        LYS  13  -3.538 -16.492  -3.414
   88    HA   LYS  13           HA       LYS  13  -4.875 -15.601  -5.874
   89   1HB   LYS  13          HB2       LYS  13  -6.452 -16.773  -3.541
   90   2HB   LYS  13          HB3       LYS  13  -7.140 -15.728  -4.793
   91   1HG   LYS  13          HG2       LYS  13  -6.349 -17.367  -6.538
   92   2HG   LYS  13          HG3       LYS  13  -5.936 -18.472  -5.221
   93   1HD   LYS  13          HD2       LYS  13  -8.714 -17.386  -5.834
   94   2HD   LYS  13          HD3       LYS  13  -8.105 -18.995  -6.245
   95   1HE   LYS  13          HE2       LYS  13  -7.725 -19.448  -3.810
   96   2HE   LYS  13          HE3       LYS  13  -8.451 -17.881  -3.426
   97   1HZ   LYS  13          HZ1       LYS  13  -9.837 -20.126  -4.788
   98   2HZ   LYS  13          HZ2       LYS  13 -10.069 -19.671  -3.243
   99   3HZ   LYS  13          HZ3       LYS  13 -10.520 -18.681  -4.455
  100    H    VAL  14           H        VAL  14  -6.181 -13.668  -5.482
  101    HA   VAL  14           HA       VAL  14  -5.509 -12.059  -3.127
  102    HB   VAL  14           HB       VAL  14  -4.922 -11.233  -6.006
  103   1HG1  VAL  14          HG11      VAL  14  -4.076  -9.132  -5.020
  104   2HG1  VAL  14          HG12      VAL  14  -5.802  -9.311  -4.761
  105   3HG1  VAL  14          HG13      VAL  14  -4.666  -9.631  -3.419
  106   1HG2  VAL  14          HG21      VAL  14  -2.578 -10.923  -5.132
  107   2HG2  VAL  14          HG22      VAL  14  -3.094 -11.688  -3.614
  108   3HG2  VAL  14          HG23      VAL  14  -3.093 -12.611  -5.130
  109    H    HIS  15           H        HIS  15  -7.127 -10.586  -2.773
  110    HA   HIS  15           HA       HIS  15  -9.639 -10.830  -4.370
  111   1HB   HIS  15          HB2       HIS  15  -9.399 -11.165  -1.355
  112   2HB   HIS  15          HB3       HIS  15 -10.865 -11.330  -2.319
  113    HD1  HIS  15           HD1      HIS  15 -10.570 -13.475  -4.287
  114    HD2  HIS  15           HD2      HIS  15  -8.133 -13.380  -0.860
  115    HE1  HIS  15           HE1      HIS  15  -9.550 -15.798  -4.061
  116    H    VAL  16           H        VAL  16  -7.515  -8.668  -3.776
  117    HA   VAL  16           HA       VAL  16  -9.392  -6.483  -3.062
  118    HB   VAL  16           HB       VAL  16  -7.250  -5.331  -2.219
  119   1HG1  VAL  16          HG11      VAL  16  -7.530  -6.236   0.027
  120   2HG1  VAL  16          HG12      VAL  16  -9.095  -6.044  -0.779
  121   3HG1  VAL  16          HG13      VAL  16  -8.378  -7.660  -0.634
  122   1HG2  VAL  16          HG21      VAL  16  -5.552  -6.940  -3.017
  123   2HG2  VAL  16          HG22      VAL  16  -5.506  -6.783  -1.253
  124   3HG2  VAL  16          HG23      VAL  16  -6.235  -8.203  -1.970
  125    H    LYS  17           H        LYS  17  -8.859  -4.447  -4.075
  126    HA   LYS  17           HA       LYS  17  -6.992  -4.459  -6.323
  127   1HB   LYS  17          HB2       LYS  17  -9.952  -3.718  -6.618
  128   2HB   LYS  17          HB3       LYS  17  -8.699  -3.433  -7.831
  129   1HG   LYS  17          HG2       LYS  17  -8.309  -5.915  -7.947
  130   2HG   LYS  17          HG3       LYS  17  -9.702  -6.145  -6.876
  131   1HD   LYS  17          HD2       LYS  17  -9.778  -4.807  -9.616
  132   2HD   LYS  17          HD3       LYS  17 -10.251  -6.477  -9.267
  133   1HE   LYS  17          HE2       LYS  17 -12.012  -5.650  -7.707
  134   2HE   LYS  17          HE3       LYS  17 -11.571  -3.983  -8.099
  135   1HZ   LYS  17          HZ1       LYS  17 -12.210  -4.426 -10.399
  136   2HZ   LYS  17          HZ2       LYS  17 -12.624  -5.964 -10.033
  137   3HZ   LYS  17          HZ3       LYS  17 -13.459  -4.721  -9.398
  138    H    ALA  18           H        ALA  18  -6.579  -2.126  -6.927
  139    HA   ALA  18           HA       ALA  18  -6.547  -0.268  -4.779
  140   1HB   ALA  18          HB1       ALA  18  -5.097  -0.054  -6.761
  141   2HB   ALA  18          HB2       ALA  18  -6.524   0.231  -7.790
  142   3HB   ALA  18          HB3       ALA  18  -6.079   1.406  -6.538
  143    H    GLY  19           H        GLY  19  -8.009   1.208  -4.047
  144   1HA   GLY  19          HA2       GLY  19  -9.871   2.524  -3.951
  145   2HA   GLY  19          HA3       GLY  19 -10.413   1.928  -5.524
  146    H    ASP  20           H        ASP  20  -9.909  -0.962  -3.949
  147    HA   ASP  20           HA       ASP  20 -12.729  -1.278  -3.337
  148   1HB   ASP  20          HB2       ASP  20 -11.246  -3.073  -4.269
  149   2HB   ASP  20          HB3       ASP  20 -10.392  -3.121  -2.721
  150    H    GLN  21           H        GLN  21 -13.512  -2.024  -1.181
  151    HA   GLN  21           HA       GLN  21 -12.187  -0.586   1.087
  152   1HB   GLN  21          HB2       GLN  21 -14.543   0.040   0.635
  153   2HB   GLN  21          HB3       GLN  21 -15.011  -1.653   0.671
  154   1HG   GLN  21          HG2       GLN  21 -15.724  -0.763   2.719
  155   2HG   GLN  21          HG3       GLN  21 -14.336  -1.743   3.117
  156   1HE2  GLN  21          HE22      GLN  21 -12.882  -0.723   4.579
  157   2HE2  GLN  21          HE21      GLN  21 -12.826   1.009   4.801
  158    H    ILE  22           H        ILE  22 -11.438  -1.794   2.805
  159    HA   ILE  22           HA       ILE  22 -12.296  -4.620   3.079
  160    HB   ILE  22           HB       ILE  22 -10.075  -5.312   3.724
  161   1HG1  ILE  22          HG12      ILE  22  -9.067  -2.533   2.978
  162   2HG1  ILE  22          HG13      ILE  22  -9.211  -3.167   4.625
  163   1HG2  ILE  22          HG21      ILE  22  -9.036  -5.405   1.565
  164   2HG2  ILE  22          HG22      ILE  22 -10.784  -5.477   1.339
  165   3HG2  ILE  22          HG23      ILE  22  -9.907  -3.968   1.000
  166   1HD1  ILE  22          HD11      ILE  22  -6.939  -3.396   4.005
  167   2HD1  ILE  22          HD12      ILE  22  -7.617  -5.026   3.930
  168   3HD1  ILE  22          HD13      ILE  22  -7.360  -4.110   2.434
  169    H    GLU  23           H        GLU  23 -11.740  -5.441   5.288
  170    HA   GLU  23           HA       GLU  23 -12.218  -3.453   7.388
  171   1HB   GLU  23          HB2       GLU  23 -14.422  -4.049   6.319
  172   2HB   GLU  23          HB3       GLU  23 -14.068  -5.751   6.598
  173   1HG   GLU  23          HG2       GLU  23 -15.556  -5.100   8.292
  174   2HG   GLU  23          HG3       GLU  23 -13.987  -5.256   9.075
  175    H    LYS  24           H        LYS  24 -11.245  -4.301   9.284
  176    HA   LYS  24           HA       LYS  24  -9.249  -6.168   9.054
  177   1HB   LYS  24          HB2       LYS  24  -9.445  -4.510  10.844
  178   2HB   LYS  24          HB3       LYS  24 -10.794  -5.396  11.560
  179   1HG   LYS  24          HG2       LYS  24  -9.244  -7.375  11.877
  180   2HG   LYS  24          HG3       LYS  24  -7.916  -6.394  11.253
  181   1HD   LYS  24          HD2       LYS  24  -9.569  -5.791  13.746
  182   2HD   LYS  24          HD3       LYS  24  -7.970  -6.549  13.728
  183   1HE   LYS  24          HE2       LYS  24  -7.012  -4.508  12.673
  184   2HE   LYS  24          HE3       LYS  24  -8.604  -3.732  12.736
  185   1HZ   LYS  24          HZ1       LYS  24  -7.232  -3.080  14.610
  186   2HZ   LYS  24          HZ2       LYS  24  -8.518  -3.915  15.158
  187   3HZ   LYS  24          HZ3       LYS  24  -7.047  -4.624  15.096
  188    H    GLY  25           H        GLY  25  -9.126  -8.323   8.889
  189   1HA   GLY  25          HA2       GLY  25  -9.634 -10.545   9.402
  190   2HA   GLY  25          HA3       GLY  25 -11.215 -10.076  10.016
  191    H    GLN  26           H        GLN  26 -11.065  -8.521   7.019
  192    HA   GLN  26           HA       GLN  26 -12.668 -10.589   5.717
  193   1HB   GLN  26          HB2       GLN  26 -12.925  -7.960   5.685
  194   2HB   GLN  26          HB3       GLN  26 -11.674  -8.013   4.446
  195   1HG   GLN  26          HG2       GLN  26 -14.424  -9.355   4.408
  196   2HG   GLN  26          HG3       GLN  26 -13.964  -7.903   3.521
  197   1HE2  GLN  26          HE22      GLN  26 -12.080  -8.189   1.900
  198   2HE2  GLN  26          HE21      GLN  26 -11.788  -9.777   1.231
  199    H    GLU  27           H        GLU  27 -11.898 -11.764   3.874
  200    HA   GLU  27           HA       GLU  27  -9.056 -12.394   3.907
  201   1HB   GLU  27          HB2       GLU  27 -10.868 -14.073   3.662
  202   2HB   GLU  27          HB3       GLU  27 -11.287 -13.386   2.088
  203   1HG   GLU  27          HG2       GLU  27  -9.052 -13.976   1.218
  204   2HG   GLU  27          HG3       GLU  27  -8.560 -14.546   2.816
  205    H    VAL  28           H        VAL  28  -7.528 -11.363   2.769
  206    HA   VAL  28           HA       VAL  28  -8.333  -9.721   0.425
  207    HB   VAL  28           HB       VAL  28  -6.332  -8.359   0.966
  208   1HG1  VAL  28          HG11      VAL  28  -8.290  -8.523   3.296
  209   2HG1  VAL  28          HG12      VAL  28  -7.345  -7.113   2.771
  210   3HG1  VAL  28          HG13      VAL  28  -8.651  -7.754   1.751
  211   1HG2  VAL  28          HG21      VAL  28  -5.281  -8.459   3.164
  212   2HG2  VAL  28          HG22      VAL  28  -6.283  -9.838   3.633
  213   3HG2  VAL  28          HG23      VAL  28  -5.055 -10.020   2.359
  214    H    ALA  29           H        ALA  29  -6.216 -12.376   1.533
  215    HA   ALA  29           HA       ALA  29  -5.737 -13.019  -1.243
  216   1HB   ALA  29          HB1       ALA  29  -3.339 -12.241   0.496
  217   2HB   ALA  29          HB2       ALA  29  -3.266 -12.984  -1.110
  218   3HB   ALA  29          HB3       ALA  29  -3.920 -11.357  -0.928
  219    H    ILE  30           H        ILE  30  -4.166 -15.009  -1.263
  220    HA   ILE  30           HA       ILE  30  -4.257 -16.567   1.252
  221    HB   ILE  30           HB       ILE  30  -5.057 -17.756  -1.441
  222   1HG1  ILE  30          HG12      ILE  30  -6.789 -17.211   1.016
  223   2HG1  ILE  30          HG13      ILE  30  -6.911 -16.416  -0.557
  224   1HG2  ILE  30          HG21      ILE  30  -5.441 -19.835  -0.109
  225   2HG2  ILE  30          HG22      ILE  30  -3.783 -19.319  -0.034
  226   3HG2  ILE  30          HG23      ILE  30  -4.848 -18.993   1.349
  227   1HD1  ILE  30          HD11      ILE  30  -7.603 -19.292   0.093
  228   2HD1  ILE  30          HD12      ILE  30  -8.647 -18.007  -0.539
  229   3HD1  ILE  30          HD13      ILE  30  -7.375 -18.709  -1.571
  230    H    LEU  31           H        LEU  31  -2.414 -17.723   1.536
  231    HA   LEU  31           HA       LEU  31  -0.242 -17.545  -0.497
  232   1HB   LEU  31          HB2       LEU  31  -0.360 -18.278   2.445
  233   2HB   LEU  31          HB3       LEU  31   1.063 -18.563   1.477
  234    HG   LEU  31           HG       LEU  31  -0.131 -15.838   2.010
  235   1HD1  LEU  31          HD11      LEU  31   1.705 -15.564   3.573
  236   2HD1  LEU  31          HD12      LEU  31   0.935 -17.081   3.972
  237   3HD1  LEU  31          HD13      LEU  31   2.453 -17.095   3.056
  238   1HD2  LEU  31          HD21      LEU  31   1.990 -14.994   1.045
  239   2HD2  LEU  31          HD22      LEU  31   2.422 -16.652   0.563
  240   3HD2  LEU  31          HD23      LEU  31   1.014 -15.832  -0.150
  241    H    GLU  32           H        GLU  32   0.293 -19.244  -1.519
  242    HA   GLU  32           HA       GLU  32  -0.070 -21.973  -0.469
  243   1HB   GLU  32          HB2       GLU  32  -0.248 -21.913  -2.879
  244   2HB   GLU  32          HB3       GLU  32   1.104 -20.807  -3.046
  245   1HG   GLU  32          HG2       GLU  32   1.702 -23.473  -1.771
  246   2HG   GLU  32          HG3       GLU  32   1.229 -23.476  -3.460
  247    H    SER  33           H        SER  33   1.781 -22.811   0.504
  248    HA   SER  33           HA       SER  33   4.218 -21.128   0.695
  249   1HB   SER  33          HB2       SER  33   2.322 -21.876   2.929
  250   2HB   SER  33          HB3       SER  33   4.048 -21.590   3.236
  251    HG   SER  33           HG       SER  33   2.681 -19.762   1.638
  252    H    MET  34           H        MET  34   4.877 -22.775  -0.762
  253    HA   MET  34           HA       MET  34   5.929 -24.677  -1.316
  254   1HB   MET  34          HB2       MET  34   6.742 -24.931   1.600
  255   2HB   MET  34          HB3       MET  34   7.588 -25.553   0.179
  256   1HG   MET  34          HG2       MET  34   7.230 -22.651   1.005
  257   2HG   MET  34          HG3       MET  34   8.722 -23.577   1.010
  258   1HE   MET  34          HE1       MET  34   8.971 -20.622  -1.715
  259   2HE   MET  34          HE2       MET  34   7.904 -20.607  -0.296
  260   3HE   MET  34          HE3       MET  34   9.578 -21.188  -0.142
  261    H    LYS  35           H        BTL  35   3.312 -24.937  -1.069
  262    HA   LYS  35           HA       BTL  35   1.756 -26.395  -1.384
  263   1HB   LYS  35          HB2       BTL  35   3.409 -28.683  -0.268
  264   2HB   LYS  35          HB3       BTL  35   1.926 -28.772  -1.215
  265   1HG   LYS  35          HG2       BTL  35   3.161 -27.508  -3.064
  266   2HG   LYS  35          HG3       BTL  35   4.653 -27.830  -2.164
  267   1HD   LYS  35          HD2       BTL  35   4.090 -30.295  -2.236
  268   2HD   LYS  35          HD3       BTL  35   2.719 -29.904  -3.284
  269   1HE   LYS  35          HE2       BTL  35   5.672 -29.437  -3.880
  270   2HE   LYS  35          HE3       BTL  35   4.622 -30.645  -4.637
  271   1HZ   LYS  35          HZ1       BTL  35   4.644 -27.724  -5.072
  272    H    MET  36           H        MET  36   2.435 -25.048   1.377
  273    HA   MET  36           HA       MET  36   0.241 -26.354   2.910
  274   1HB   MET  36          HB2       MET  36   2.182 -24.157   3.749
  275   2HB   MET  36          HB3       MET  36   0.967 -24.935   4.758
  276   1HG   MET  36          HG2       MET  36   2.099 -27.109   4.498
  277   2HG   MET  36          HG3       MET  36   3.352 -26.358   3.511
  278   1HE   MET  36          HE1       MET  36   4.138 -23.664   4.889
  279   2HE   MET  36          HE2       MET  36   5.417 -24.230   5.984
  280   3HE   MET  36          HE3       MET  36   5.286 -24.908   4.347
  281    H    GLU  37           H        GLU  37  -1.243 -24.586   3.924
  282    HA   GLU  37           HA       GLU  37  -1.930 -22.556   1.856
  283   1HB   GLU  37          HB2       GLU  37  -4.289 -23.202   2.203
  284   2HB   GLU  37          HB3       GLU  37  -3.307 -24.470   1.458
  285   1HG   GLU  37          HG2       GLU  37  -3.196 -25.636   3.678
  286   2HG   GLU  37          HG3       GLU  37  -4.259 -24.398   4.350
  287    H    ILE  38           H        ILE  38  -2.303 -20.546   2.697
  288    HA   ILE  38           HA       ILE  38  -3.021 -20.334   5.575
  289    HB   ILE  38           HB       ILE  38  -0.797 -18.629   4.458
  290   1HG1  ILE  38          HG12      ILE  38  -0.360 -21.198   6.028
  291   2HG1  ILE  38          HG13      ILE  38   0.019 -20.974   4.315
  292   1HG2  ILE  38          HG21      ILE  38  -1.570 -19.345   7.309
  293   2HG2  ILE  38          HG22      ILE  38  -0.378 -18.131   6.795
  294   3HG2  ILE  38          HG23      ILE  38  -2.082 -17.873   6.459
  295   1HD1  ILE  38          HD11      ILE  38   1.379 -19.551   6.611
  296   2HD1  ILE  38          HD12      ILE  38   2.041 -20.785   5.526
  297   3HD1  ILE  38          HD13      ILE  38   1.624 -19.191   4.880
  298    HA   PRO  39           HA       PRO  39  -5.730 -17.321   3.384
  299   1HB   PRO  39          HB2       PRO  39  -6.655 -16.947   6.231
  300   2HB   PRO  39          HB3       PRO  39  -7.630 -17.145   4.749
  301   1HG   PRO  39          HG2       PRO  39  -7.348 -19.205   6.514
  302   2HG   PRO  39          HG3       PRO  39  -7.332 -19.502   4.745
  303   1HD   PRO  39          HD2       PRO  39  -4.973 -19.299   6.632
  304   2HD   PRO  39          HD3       PRO  39  -5.272 -20.472   5.311
  305    H    ILE  40           H        ILE  40  -5.458 -15.037   3.280
  306    HA   ILE  40           HA       ILE  40  -3.896 -13.740   5.456
  307    HB   ILE  40           HB       ILE  40  -3.796 -12.951   2.539
  308   1HG1  ILE  40          HG12      ILE  40  -2.818 -15.184   2.624
  309   2HG1  ILE  40          HG13      ILE  40  -1.607 -13.970   2.300
  310   1HG2  ILE  40          HG21      ILE  40  -1.748 -11.724   3.273
  311   2HG2  ILE  40          HG22      ILE  40  -3.217 -11.165   4.085
  312   3HG2  ILE  40          HG23      ILE  40  -2.072 -12.215   4.945
  313   1HD1  ILE  40          HD11      ILE  40  -1.962 -14.839   5.177
  314   2HD1  ILE  40          HD12      ILE  40  -1.191 -15.936   4.040
  315   3HD1  ILE  40          HD13      ILE  40  -0.510 -14.310   4.319
  316    H    VAL  41           H        VAL  41  -5.117 -12.360   6.467
  317    HA   VAL  41           HA       VAL  41  -7.554 -11.275   5.175
  318    HB   VAL  41           HB       VAL  41  -8.406 -11.259   7.589
  319   1HG1  VAL  41          HG11      VAL  41  -9.114 -13.678   7.479
  320   2HG1  VAL  41          HG12      VAL  41  -9.402 -12.767   6.009
  321   3HG1  VAL  41          HG13      VAL  41  -8.023 -13.891   6.091
  322   1HG2  VAL  41          HG21      VAL  41  -7.530 -12.887   9.152
  323   2HG2  VAL  41          HG22      VAL  41  -6.366 -13.513   7.976
  324   3HG2  VAL  41          HG23      VAL  41  -6.165 -11.872   8.664
  325    H    ALA  42           H        ALA  42  -8.208  -9.191   5.878
  326    HA   ALA  42           HA       ALA  42  -6.151  -7.295   5.741
  327   1HB   ALA  42          HB1       ALA  42  -8.511  -6.897   5.066
  328   2HB   ALA  42          HB2       ALA  42  -9.000  -6.998   6.763
  329   3HB   ALA  42          HB3       ALA  42  -7.964  -5.667   6.227
  330    H    ASP  43           H        ASP  43  -4.703  -6.761   7.256
  331    HA   ASP  43           HA       ASP  43  -5.007  -7.385  10.060
  332   1HB   ASP  43          HB2       ASP  43  -2.858  -7.446   8.853
  333   2HB   ASP  43          HB3       ASP  43  -2.957  -5.705   8.570
  334    H    ARG  44           H        ARG  44  -5.854  -4.620   8.127
  335    HA   ARG  44           HA       ARG  44  -7.065  -3.267  10.374
  336   1HB   ARG  44          HB2       ARG  44  -6.063  -1.020   9.595
  337   2HB   ARG  44          HB3       ARG  44  -5.105  -2.017  10.665
  338   1HG   ARG  44          HG2       ARG  44  -4.590  -2.456   7.745
  339   2HG   ARG  44          HG3       ARG  44  -4.191  -0.856   8.340
  340   1HD   ARG  44          HD2       ARG  44  -3.243  -3.316   9.839
  341   2HD   ARG  44          HD3       ARG  44  -2.358  -2.713   8.429
  342    HE   ARG  44           HE       ARG  44  -2.768  -0.477  10.027
  343   1HH1  ARG  44          HH21      ARG  44  -1.173  -3.619  10.659
  344   2HH1  ARG  44          HH22      ARG  44   0.180  -2.891  11.454
  345   1HH2  ARG  44          HH11      ARG  44  -1.138   0.411  11.321
  346   2HH2  ARG  44          HH12      ARG  44   0.171  -0.574  11.894
  347    H    SER  45           H        SER  45  -8.622  -1.647   9.549
  348    HA   SER  45           HA       SER  45  -9.785  -2.543   7.014
  349   1HB   SER  45          HB2       SER  45 -10.721  -0.463   9.029
  350   2HB   SER  45          HB3       SER  45 -11.694  -1.247   7.777
  351    HG   SER  45           HG       SER  45 -12.156  -2.399   9.518
  352    H    GLY  46           H        GLY  46 -10.478  -0.913   5.384
  353   1HA   GLY  46          HA2       GLY  46 -10.248   1.752   5.348
  354   2HA   GLY  46          HA3       GLY  46  -8.568   1.310   5.039
  355    H    ILE  47           H        ILE  47  -9.440   2.689   3.105
  356    HA   ILE  47           HA       ILE  47 -10.498   1.028   0.901
  357    HB   ILE  47           HB       ILE  47  -9.473   3.897   1.094
  358   1HG1  ILE  47          HG12      ILE  47 -11.701   3.569   2.124
  359   2HG1  ILE  47          HG13      ILE  47 -11.728   4.636   0.733
  360   1HG2  ILE  47          HG21      ILE  47 -10.489   2.394  -1.347
  361   2HG2  ILE  47          HG22      ILE  47 -10.358   4.166  -1.254
  362   3HG2  ILE  47          HG23      ILE  47  -8.910   3.170  -1.119
  363   1HD1  ILE  47          HD11      ILE  47 -12.617   1.719   0.700
  364   2HD1  ILE  47          HD12      ILE  47 -13.676   3.138   0.760
  365   3HD1  ILE  47          HD13      ILE  47 -12.691   2.843  -0.677
  366    H    VAL  48           H        VAL  48  -9.101  -0.012  -0.468
  367    HA   VAL  48           HA       VAL  48  -6.282  -0.203   0.143
  368    HB   VAL  48           HB       VAL  48  -7.940  -1.133  -2.227
  369   1HG1  VAL  48          HG11      VAL  48  -5.574  -1.057  -2.865
  370   2HG1  VAL  48          HG12      VAL  48  -5.104  -1.874  -1.366
  371   3HG1  VAL  48          HG13      VAL  48  -6.047  -2.734  -2.615
  372   1HG2  VAL  48          HG21      VAL  48  -7.015  -2.653   0.248
  373   2HG2  VAL  48          HG22      VAL  48  -8.687  -2.200  -0.134
  374   3HG2  VAL  48          HG23      VAL  48  -7.848  -3.363  -1.155
  375    H    LYS  49           H        LYS  49  -4.702   1.167  -0.544
  376    HA   LYS  49           HA       LYS  49  -5.288   3.229  -2.580
  377   1HB   LYS  49          HB2       LYS  49  -3.929   3.855  -0.593
  378   2HB   LYS  49          HB3       LYS  49  -2.794   2.554  -0.960
  379   1HG   LYS  49          HG2       LYS  49  -2.392   3.705  -3.221
  380   2HG   LYS  49          HG3       LYS  49  -3.300   5.083  -2.581
  381   1HD   LYS  49          HD2       LYS  49  -1.652   5.386  -0.798
  382   2HD   LYS  49          HD3       LYS  49  -0.928   3.810  -1.163
  383   1HE   LYS  49          HE2       LYS  49  -0.383   4.724  -3.487
  384   2HE   LYS  49          HE3       LYS  49  -0.764   6.329  -2.846
  385   1HZ   LYS  49          HZ1       LYS  49   0.983   5.998  -1.197
  386   2HZ   LYS  49          HZ2       LYS  49   1.266   4.464  -1.724
  387   3HZ   LYS  49          HZ3       LYS  49   1.609   5.754  -2.683
  388    H    GLU  50           H        GLU  50  -3.126   0.314  -1.997
  389    HA   GLU  50           HA       GLU  50  -3.118  -0.186  -4.899
  390   1HB   GLU  50          HB2       GLU  50  -1.327   1.586  -4.376
  391   2HB   GLU  50          HB3       GLU  50  -0.505   0.353  -3.411
  392   1HG   GLU  50          HG2       GLU  50  -0.146  -1.029  -5.359
  393   2HG   GLU  50          HG3       GLU  50  -1.232  -0.038  -6.341
  394    H    VAL  51           H        VAL  51  -2.442  -2.311  -5.379
  395    HA   VAL  51           HA       VAL  51  -1.942  -4.124  -3.071
  396    HB   VAL  51           HB       VAL  51  -2.631  -4.984  -5.900
  397   1HG1  VAL  51          HG11      VAL  51  -3.072  -6.333  -3.195
  398   2HG1  VAL  51          HG12      VAL  51  -3.330  -7.033  -4.805
  399   3HG1  VAL  51          HG13      VAL  51  -1.695  -6.648  -4.258
  400   1HG2  VAL  51          HG21      VAL  51  -4.548  -3.596  -5.279
  401   2HG2  VAL  51          HG22      VAL  51  -4.983  -5.302  -5.195
  402   3HG2  VAL  51          HG23      VAL  51  -4.658  -4.406  -3.700
  403    H    LYS  52           H        LYS  52   0.147  -4.764  -2.835
  404    HA   LYS  52           HA       LYS  52   2.107  -3.695  -4.745
  405   1HB   LYS  52          HB2       LYS  52   2.445  -5.099  -2.053
  406   2HB   LYS  52          HB3       LYS  52   3.698  -4.252  -2.948
  407   1HG   LYS  52          HG2       LYS  52   1.204  -2.927  -1.784
  408   2HG   LYS  52          HG3       LYS  52   2.802  -2.931  -1.053
  409   1HD   LYS  52          HD2       LYS  52   3.726  -1.675  -2.969
  410   2HD   LYS  52          HD3       LYS  52   2.120  -1.661  -3.743
  411   1HE   LYS  52          HE2       LYS  52   1.167  -0.454  -1.855
  412   2HE   LYS  52          HE3       LYS  52   2.708  -0.509  -0.985
  413   1HZ   LYS  52          HZ1       LYS  52   2.292   0.887  -3.570
  414   2HZ   LYS  52          HZ2       LYS  52   2.274   1.622  -2.095
  415   3HZ   LYS  52          HZ3       LYS  52   3.656   0.926  -2.655
  416    H    LYS  53           H        LYS  53   0.410  -6.502  -4.774
  417    HA   LYS  53           HA       LYS  53   2.463  -8.075  -6.162
  418   1HB   LYS  53          HB2       LYS  53   0.922  -9.082  -3.720
  419   2HB   LYS  53          HB3       LYS  53   1.871 -10.116  -4.798
  420   1HG   LYS  53          HG2       LYS  53   3.091  -7.885  -3.125
  421   2HG   LYS  53          HG3       LYS  53   2.962  -9.567  -2.631
  422   1HD   LYS  53          HD2       LYS  53   4.275 -10.300  -4.571
  423   2HD   LYS  53          HD3       LYS  53   4.445  -8.615  -5.127
  424   1HE   LYS  53          HE2       LYS  53   5.745  -8.014  -3.221
  425   2HE   LYS  53          HE3       LYS  53   5.286  -9.479  -2.355
  426   1HZ   LYS  53          HZ1       LYS  53   7.152  -9.325  -4.632
  427   2HZ   LYS  53          HZ2       LYS  53   7.419  -9.811  -3.065
  428   3HZ   LYS  53          HZ3       LYS  53   6.544 -10.755  -4.056
  429    H    LYS  54           H        LYS  54   1.115 -10.273  -6.795
  430    HA   LYS  54           HA       LYS  54  -1.717  -9.741  -7.299
  431   1HB   LYS  54          HB2       LYS  54  -1.546 -10.239  -9.692
  432   2HB   LYS  54          HB3       LYS  54  -0.685  -8.756  -9.296
  433   1HG   LYS  54          HG2       LYS  54   1.478  -9.912  -9.389
  434   2HG   LYS  54          HG3       LYS  54   0.690 -11.467  -9.665
  435   1HD   LYS  54          HD2       LYS  54   0.511  -9.080 -11.551
  436   2HD   LYS  54          HD3       LYS  54   1.656 -10.421 -11.711
  437   1HE   LYS  54          HE2       LYS  54  -0.249 -12.027 -11.862
  438   2HE   LYS  54          HE3       LYS  54  -1.386 -10.675 -11.777
  439   1HZ   LYS  54          HZ1       LYS  54  -0.437  -9.832 -13.845
  440   2HZ   LYS  54          HZ2       LYS  54   0.610 -11.085 -13.928
  441   3HZ   LYS  54          HZ3       LYS  54  -0.992 -11.347 -14.054
  442    H    GLU  55           H        GLU  55  -2.749 -11.774  -8.176
  443    HA   GLU  55           HA       GLU  55  -2.184 -14.111  -6.863
  444   1HB   GLU  55          HB2       GLU  55  -3.258 -13.940  -9.713
  445   2HB   GLU  55          HB3       GLU  55  -3.375 -15.312  -8.617
  446   1HG   GLU  55          HG2       GLU  55  -5.413 -14.467  -8.185
  447   2HG   GLU  55          HG3       GLU  55  -4.523 -13.512  -7.018
  448    H    GLY  56           H        GLY  56  -0.508 -15.440  -6.800
  449   1HA   GLY  56          HA2       GLY  56   0.935 -17.038  -7.608
  450   2HA   GLY  56          HA3       GLY  56   0.767 -16.402  -9.250
  451    H    ASP  57           H        ASP  57   1.503 -13.726  -7.242
  452    HA   ASP  57           HA       ASP  57   4.231 -13.620  -8.186
  453   1HB   ASP  57          HB2       ASP  57   2.619 -11.657  -7.453
  454   2HB   ASP  57          HB3       ASP  57   3.241 -11.990  -5.848
  455    H    PHE  58           H        PHE  58   6.111 -13.545  -6.718
  456    HA   PHE  58           HA       PHE  58   6.065 -15.762  -4.731
  457   1HB   PHE  58          HB2       PHE  58   7.901 -15.704  -6.388
  458   2HB   PHE  58          HB3       PHE  58   8.324 -14.076  -5.877
  459    HD1  PHE  58           HD1      PHE  58   9.746 -13.704  -3.966
  460    HD2  PHE  58           HD2      PHE  58   8.116 -17.630  -4.711
  461    HE1  PHE  58           HE1      PHE  58  11.222 -14.654  -2.210
  462    HE2  PHE  58           HE2      PHE  58   9.597 -18.574  -2.959
  463    HZ   PHE  58           HZ       PHE  58  11.160 -17.091  -1.714
  464    H    VAL  59           H        VAL  59   6.444 -15.329  -2.518
  465    HA   VAL  59           HA       VAL  59   6.713 -12.530  -1.635
  466    HB   VAL  59           HB       VAL  59   4.713 -12.927  -0.146
  467   1HG1  VAL  59          HG11      VAL  59   4.077 -12.595  -3.095
  468   2HG1  VAL  59          HG12      VAL  59   3.078 -12.076  -1.729
  469   3HG1  VAL  59          HG13      VAL  59   4.661 -11.334  -1.974
  470   1HG2  VAL  59          HG21      VAL  59   2.898 -14.372  -0.984
  471   2HG2  VAL  59          HG22      VAL  59   3.952 -15.013  -2.240
  472   3HG2  VAL  59          HG23      VAL  59   4.321 -15.334  -0.528
  473    H    ASN  60           H        ASN  60   6.911 -12.426   0.799
  474    HA   ASN  60           HA       ASN  60   7.796 -14.884   2.054
  475   1HB   ASN  60          HB2       ASN  60   9.717 -13.183   0.704
  476   2HB   ASN  60          HB3       ASN  60   9.964 -13.012   2.434
  477   1HD2  ASN  60          HD22      ASN  60   9.197 -15.666   0.071
  478   2HD2  ASN  60          HD21      ASN  60  10.344 -16.801   0.743
  479    H    GLU  61           H        GLU  61   8.640 -14.411   4.328
  480    HA   GLU  61           HA       GLU  61   6.606 -13.016   5.742
  481   1HB   GLU  61          HB2       GLU  61   8.028 -14.899   6.606
  482   2HB   GLU  61          HB3       GLU  61   9.410 -13.798   6.664
  483   1HG   GLU  61          HG2       GLU  61   8.053 -12.327   8.236
  484   2HG   GLU  61          HG3       GLU  61   6.807 -13.575   8.229
  485    H    GLY  62           H        GLY  62   6.297 -10.877   5.935
  486   1HA   GLY  62          HA2       GLY  62   6.792  -8.702   6.487
  487   2HA   GLY  62          HA3       GLY  62   8.526  -9.015   6.333
  488    H    ASP  63           H        ASP  63   7.049 -10.254   3.512
  489    HA   ASP  63           HA       ASP  63   7.942  -7.970   1.914
  490   1HB   ASP  63          HB2       ASP  63   8.207 -10.424   1.265
  491   2HB   ASP  63          HB3       ASP  63   6.460 -10.469   1.013
  492    H    VAL  64           H        VAL  64   6.509  -6.544   0.885
  493    HA   VAL  64           HA       VAL  64   4.103  -6.006   2.348
  494    HB   VAL  64           HB       VAL  64   3.840  -4.176   0.644
  495   1HG1  VAL  64          HG11      VAL  64   6.541  -4.332   2.044
  496   2HG1  VAL  64          HG12      VAL  64   5.711  -2.857   1.503
  497   3HG1  VAL  64          HG13      VAL  64   4.999  -3.849   2.785
  498   1HG2  VAL  64          HG21      VAL  64   5.604  -3.650  -0.914
  499   2HG2  VAL  64          HG22      VAL  64   6.589  -5.023  -0.381
  500   3HG2  VAL  64          HG23      VAL  64   5.073  -5.305  -1.256
  501    H    LEU  65           H        LEU  65   1.946  -5.811   1.552
  502    HA   LEU  65           HA       LEU  65   1.270  -7.433  -0.868
  503   1HB   LEU  65          HB2       LEU  65   0.817  -8.847   1.057
  504   2HB   LEU  65          HB3       LEU  65   0.020  -7.528   1.907
  505    HG   LEU  65           HG       LEU  65  -1.817  -7.524   0.210
  506   1HD1  LEU  65          HD11      LEU  65  -0.393  -9.985  -0.872
  507   2HD1  LEU  65          HD12      LEU  65  -2.039  -9.471  -1.310
  508   3HD1  LEU  65          HD13      LEU  65  -0.661  -8.458  -1.739
  509   1HD2  LEU  65          HD21      LEU  65  -2.029  -8.772   2.319
  510   2HD2  LEU  65          HD22      LEU  65  -2.923  -9.518   0.988
  511   3HD2  LEU  65          HD23      LEU  65  -1.382 -10.220   1.513
  512    H    LEU  66           H        LEU  66   0.238  -4.846   1.486
  513    HA   LEU  66           HA       LEU  66  -1.464  -3.706  -0.650
  514   1HB   LEU  66          HB2       LEU  66  -2.462  -5.522   1.148
  515   2HB   LEU  66          HB3       LEU  66  -2.545  -4.080   2.141
  516    HG   LEU  66           HG       LEU  66  -4.101  -3.038   0.594
  517   1HD1  LEU  66          HD11      LEU  66  -3.554  -5.486  -1.125
  518   2HD1  LEU  66          HD12      LEU  66  -5.016  -4.480  -1.310
  519   3HD1  LEU  66          HD13      LEU  66  -3.438  -3.769  -1.574
  520   1HD2  LEU  66          HD21      LEU  66  -4.785  -5.977   1.140
  521   2HD2  LEU  66          HD22      LEU  66  -4.947  -4.652   2.306
  522   3HD2  LEU  66          HD23      LEU  66  -5.947  -4.675   0.839
  523    H    GLU  67           H        GLU  67  -1.793  -1.528  -0.420
  524    HA   GLU  67           HA       GLU  67  -0.857  -0.195   2.058
  525   1HB   GLU  67          HB2       GLU  67   0.742   0.088   0.160
  526   2HB   GLU  67          HB3       GLU  67  -0.534   0.871  -0.780
  527   1HG   GLU  67          HG2       GLU  67  -0.641   2.693   0.853
  528   2HG   GLU  67          HG3       GLU  67   0.442   1.825   1.944
  529    H    LEU  68           H        LEU  68  -2.279   1.381   2.774
  530    HA   LEU  68           HA       LEU  68  -4.944   1.373   1.428
  531   1HB   LEU  68          HB2       LEU  68  -4.439   1.421   4.403
  532   2HB   LEU  68          HB3       LEU  68  -5.974   1.255   3.586
  533    HG   LEU  68           HG       LEU  68  -3.761  -0.827   3.684
  534   1HD1  LEU  68          HD11      LEU  68  -5.032  -0.492   5.819
  535   2HD1  LEU  68          HD12      LEU  68  -6.525  -0.893   4.955
  536   3HD1  LEU  68          HD13      LEU  68  -5.232  -2.104   5.116
  537   1HD2  LEU  68          HD21      LEU  68  -5.386  -2.361   2.654
  538   2HD2  LEU  68          HD22      LEU  68  -6.518  -1.008   2.409
  539   3HD2  LEU  68          HD23      LEU  68  -4.939  -1.053   1.576
  540    H    SER  69           H        SER  69  -6.156   3.277   1.594
  541    HA   SER  69           HA       SER  69  -4.575   5.678   1.602
  542   1HB   SER  69          HB2       SER  69  -7.590   5.335   1.390
  543   2HB   SER  69          HB3       SER  69  -6.616   6.687   0.781
  544    HG   SER  69           HG       SER  69  -7.102   5.256  -0.896
  545    H    ASN  70           H        ASN  70  -6.810   4.208   3.917
  546    HA   ASN  70           HA       ASN  70  -6.518   6.449   5.825
  547   1HB   ASN  70          HB2       ASN  70  -8.886   6.680   6.112
  548   2HB   ASN  70          HB3       ASN  70  -8.537   6.918   4.407
  549   1HD2  ASN  70          HD22      ASN  70 -11.086   5.957   5.891
  550   2HD2  ASN  70          HD21      ASN  70 -11.495   4.489   5.051
  551    H    SER  71           H        SER  71  -5.235   4.005   5.969
  552    HA   SER  71           HA       SER  71  -6.222   1.793   7.136
  553   1HB   SER  71          HB2       SER  71  -3.757   3.059   8.310
  554   2HB   SER  71          HB3       SER  71  -4.019   1.399   7.754
  555    HG   SER  71           HG       SER  71  -2.635   2.730   6.405
  556    H    THR  72           H        THR  72  -7.438   1.346   8.983
  557    HA   THR  72           HA       THR  72  -8.059   3.392  10.858
  558    HB   THR  72           HB       THR  72  -9.096   1.412  12.114
  559    HG1  THR  72           HG1      THR  72  -7.967  -0.318  11.436
  560   1HG2  THR  72          HG21      THR  72 -10.876   1.179  10.482
  561   2HG2  THR  72          HG22      THR  72 -10.294   2.846  10.459
  562   3HG2  THR  72          HG23      THR  72  -9.807   1.735   9.163
  563    H    GLN  73           H        GLN  73  -5.342   1.267  10.714
  564    HA   GLN  73           HA       GLN  73  -4.172   2.470  13.077
  565   1HB   GLN  73          HB2       GLN  73  -4.306  -0.559  12.635
  566   2HB   GLN  73          HB3       GLN  73  -3.194   0.228  13.744
  567   1HG   GLN  73          HG2       GLN  73  -6.228   0.343  14.027
  568   2HG   GLN  73          HG3       GLN  73  -5.186  -0.825  14.824
  569   1HE2  GLN  73          HE22      GLN  73  -6.015   2.633  14.662
  570   2HE2  GLN  73          HE21      GLN  73  -5.336   3.058  16.230
  571    HN3  BTI 135           HN3      BTL  35  -4.301 -25.622  -1.913
  572    HN2  BTI 135           HN2      BTL  35  -2.529 -25.064  -5.475
  573    H4   BTI 135           H4       BTL  35  -1.215 -23.877  -3.646
  574    H2   BTI 135           H2       BTL  35   0.469 -25.494  -3.255
  575    H62  BTI 135           H62      BTL  35  -0.727 -25.986  -0.911
  576    H63  BTI 135           H63      BTL  35  -2.240 -26.920  -0.921
  577    H5   BTI 135           H5       BTL  35  -2.189 -24.275  -1.567
  578    H72  BTI 135           H72      BTL  35  -0.782 -26.756  -5.703
  579    H73  BTI 135           H73      BTL  35  -0.008 -25.159  -5.735
  580    H82  BTI 135           H82      BTL  35   2.111 -26.088  -5.000
  581    H83  BTI 135           H83      BTL  35   1.377 -27.687  -4.767
  582    H92  BTI 135           H92      BTL  35   0.934 -27.890  -7.164
  583    H93  BTI 135           H93      BTL  35   1.493 -26.237  -7.451
  584   H102  BTI 135          H102      BTL  35   3.196 -27.894  -8.109
  585   H103  BTI 135          H103      BTL  35   3.769 -26.825  -6.833
  Start of MODEL   16
    1   1H    THR   2           H1       THR   2   1.240  -1.942   3.333
    2   2H    THR   2           H2       THR   2   1.858  -0.597   4.043
    3   3H    THR   2           H3       THR   2   2.427  -2.086   4.467
    4    HA   THR   2           HA       THR   2   1.039  -1.226   6.164
    5    HB   THR   2           HB       THR   2  -1.018  -0.929   3.966
    6    HG1  THR   2           HG1      THR   2  -0.756   1.256   4.696
    7   1HG2  THR   2          HG21      THR   2  -2.305  -1.639   5.878
    8   2HG2  THR   2          HG22      THR   2  -1.321  -0.664   6.983
    9   3HG2  THR   2          HG23      THR   2  -2.393   0.129   5.809
   10    H    VAL   3           H        VAL   3  -1.007  -3.383   3.991
   11    HA   VAL   3           HA       VAL   3  -0.699  -5.435   6.106
   12    HB   VAL   3           HB       VAL   3  -2.058  -6.004   3.487
   13   1HG1  VAL   3          HG11      VAL   3  -1.726  -7.846   5.036
   14   2HG1  VAL   3          HG12      VAL   3  -2.545  -6.947   6.328
   15   3HG1  VAL   3          HG13      VAL   3  -3.439  -7.471   4.883
   16   1HG2  VAL   3          HG21      VAL   3  -4.249  -5.266   4.471
   17   2HG2  VAL   3          HG22      VAL   3  -3.362  -4.486   5.800
   18   3HG2  VAL   3          HG23      VAL   3  -3.182  -3.908   4.135
   19    H    SER   4           H        SER   4   0.537  -7.328   5.714
   20    HA   SER   4           HA       SER   4   2.277  -7.429   3.329
   21   1HB   SER   4          HB2       SER   4   3.215  -7.330   6.237
   22   2HB   SER   4          HB3       SER   4   4.251  -7.665   4.845
   23    HG   SER   4           HG       SER   4   4.290  -5.451   5.543
   24    H    ILE   5           H        ILE   5   3.325  -9.494   3.182
   25    HA   ILE   5           HA       ILE   5   1.643 -11.728   3.971
   26    HB   ILE   5           HB       ILE   5   4.279 -11.481   2.440
   27   1HG1  ILE   5          HG12      ILE   5   2.401 -12.459   0.668
   28   2HG1  ILE   5          HG13      ILE   5   1.371 -11.457   1.664
   29   1HG2  ILE   5          HG21      ILE   5   4.231 -13.669   3.443
   30   2HG2  ILE   5          HG22      ILE   5   2.534 -13.913   2.928
   31   3HG2  ILE   5          HG23      ILE   5   3.861 -13.854   1.752
   32   1HD1  ILE   5          HD11      ILE   5   3.918 -10.522   0.251
   33   2HD1  ILE   5          HD12      ILE   5   2.256 -10.252  -0.314
   34   3HD1  ILE   5          HD13      ILE   5   2.819  -9.495   1.178
   35    H    GLN   6           H        GLN   6   2.381 -13.478   5.301
   36    HA   GLN   6           HA       GLN   6   4.206 -12.596   7.488
   37   1HB   GLN   6          HB2       GLN   6   2.629 -13.605   9.016
   38   2HB   GLN   6          HB3       GLN   6   1.798 -12.469   7.955
   39   1HG   GLN   6          HG2       GLN   6   1.109 -14.499   6.517
   40   2HG   GLN   6          HG3       GLN   6   1.766 -15.524   7.793
   41   1HE2  GLN   6          HE22      GLN   6  -0.570 -12.839   7.222
   42   2HE2  GLN   6          HE21      GLN   6  -1.735 -13.384   8.409
   43    H    MET   7           H        MET   7   4.139 -14.862   5.028
   44    HA   MET   7           HA       MET   7   5.987 -16.660   6.414
   45   1HB   MET   7          HB2       MET   7   3.916 -17.667   7.084
   46   2HB   MET   7          HB3       MET   7   3.205 -17.467   5.488
   47   1HG   MET   7          HG2       MET   7   3.767 -19.786   5.987
   48   2HG   MET   7          HG3       MET   7   4.573 -19.176   4.558
   49   1HE   MET   7          HE1       MET   7   6.076 -21.121   4.326
   50   2HE   MET   7          HE2       MET   7   7.028 -21.865   5.634
   51   3HE   MET   7          HE3       MET   7   5.248 -21.890   5.689
   52    H    ALA   8           H        ALA   8   7.118 -18.005   4.870
   53    HA   ALA   8           HA       ALA   8   7.633 -16.828   2.295
   54   1HB   ALA   8          HB1       ALA   8   8.462 -19.471   3.547
   55   2HB   ALA   8          HB2       ALA   8   9.118 -18.788   2.046
   56   3HB   ALA   8          HB3       ALA   8   9.378 -17.939   3.589
   57    H    GLY   9           H        GLY   9   6.726 -17.285   0.333
   58   1HA   GLY   9          HA2       GLY   9   5.503 -19.769  -0.332
   59   2HA   GLY   9          HA3       GLY   9   4.278 -18.707   0.364
   60    H    ASN  10           H        ASN  10   3.261 -18.964  -1.624
   61    HA   ASN  10           HA       ASN  10   4.121 -17.073  -3.757
   62   1HB   ASN  10          HB2       ASN  10   3.018 -19.899  -4.123
   63   2HB   ASN  10          HB3       ASN  10   3.201 -18.705  -5.409
   64   1HD2  ASN  10          HD21      ASN  10   4.902 -21.012  -3.335
   65   2HD2  ASN  10          HD22      ASN  10   6.498 -20.740  -4.010
   66    H    LEU  11           H        LEU  11   2.445 -15.760  -4.259
   67    HA   LEU  11           HA       LEU  11   0.251 -15.727  -2.396
   68   1HB   LEU  11          HB2       LEU  11   1.732 -13.804  -3.213
   69   2HB   LEU  11          HB3       LEU  11   0.863 -13.876  -4.720
   70    HG   LEU  11           HG       LEU  11  -1.274 -13.377  -3.473
   71   1HD1  LEU  11          HD11      LEU  11  -0.934 -12.416  -1.127
   72   2HD1  LEU  11          HD12      LEU  11  -0.832 -14.177  -1.259
   73   3HD1  LEU  11          HD13      LEU  11   0.651 -13.199  -1.112
   74   1HD2  LEU  11          HD21      LEU  11   0.995 -11.408  -2.962
   75   2HD2  LEU  11          HD22      LEU  11   0.124 -11.588  -4.501
   76   3HD2  LEU  11          HD23      LEU  11  -0.736 -11.020  -3.073
   77    H    TRP  12           H        TRP  12  -0.466 -17.836  -3.327
   78    HA   TRP  12           HA       TRP  12  -1.435 -18.619  -5.667
   79   1HB   TRP  12          HB2       TRP  12  -1.394 -19.954  -3.694
   80   2HB   TRP  12          HB3       TRP  12  -2.559 -18.932  -2.877
   81    HD1  TRP  12           HD1      TRP  12  -3.960 -19.858  -6.204
   82    HE1  TRP  12           HE1      TRP  12  -5.700 -21.688  -5.934
   83    HE3  TRP  12           HE3      TRP  12  -2.851 -21.286  -1.433
   84    HZ2  TRP  12           HZ2      TRP  12  -6.699 -23.384  -3.794
   85    HZ3  TRP  12           HZ3      TRP  12  -4.254 -22.937  -0.279
   86    HH2  TRP  12           HH2      TRP  12  -6.190 -23.997  -1.430
   87    H    LYS  13           H        LYS  13  -3.463 -16.498  -3.503
   88    HA   LYS  13           HA       LYS  13  -4.790 -15.560  -5.947
   89   1HB   LYS  13          HB2       LYS  13  -6.392 -16.694  -3.615
   90   2HB   LYS  13          HB3       LYS  13  -7.052 -15.700  -4.925
   91   1HG   LYS  13          HG2       LYS  13  -6.246 -17.416  -6.581
   92   2HG   LYS  13          HG3       LYS  13  -5.835 -18.459  -5.213
   93   1HD   LYS  13          HD2       LYS  13  -8.615 -17.426  -5.898
   94   2HD   LYS  13          HD3       LYS  13  -7.991 -19.052  -6.215
   95   1HE   LYS  13          HE2       LYS  13  -7.618 -19.356  -3.753
   96   2HE   LYS  13          HE3       LYS  13  -8.366 -17.780  -3.467
   97   1HZ   LYS  13          HZ1       LYS  13  -9.965 -19.577  -3.189
   98   2HZ   LYS  13          HZ2       LYS  13 -10.419 -18.669  -4.464
   99   3HZ   LYS  13          HZ3       LYS  13  -9.714 -20.122  -4.702
  100    H    VAL  14           H        VAL  14  -6.062 -13.623  -5.528
  101    HA   VAL  14           HA       VAL  14  -5.400 -12.059  -3.142
  102    HB   VAL  14           HB       VAL  14  -4.801 -11.184  -6.008
  103   1HG1  VAL  14          HG11      VAL  14  -4.544  -9.631  -3.393
  104   2HG1  VAL  14          HG12      VAL  14  -3.946  -9.098  -4.978
  105   3HG1  VAL  14          HG13      VAL  14  -5.677  -9.281  -4.728
  106   1HG2  VAL  14          HG21      VAL  14  -2.982 -12.582  -5.147
  107   2HG2  VAL  14          HG22      VAL  14  -2.461 -10.897  -5.139
  108   3HG2  VAL  14          HG23      VAL  14  -2.971 -11.670  -3.625
  109    H    HIS  15           H        HIS  15  -7.038 -10.594  -2.769
  110    HA   HIS  15           HA       HIS  15  -9.544 -10.874  -4.368
  111   1HB   HIS  15          HB2       HIS  15  -9.307 -11.192  -1.348
  112   2HB   HIS  15          HB3       HIS  15 -10.764 -11.385  -2.321
  113    HD1  HIS  15           HD1      HIS  15 -10.417 -13.521  -4.292
  114    HD2  HIS  15           HD2      HIS  15  -8.002 -13.391  -0.850
  115    HE1  HIS  15           HE1      HIS  15  -9.348 -15.820  -4.072
  116    H    VAL  16           H        VAL  16  -7.432  -8.716  -3.763
  117    HA   VAL  16           HA       VAL  16  -9.306  -6.519  -3.051
  118    HB   VAL  16           HB       VAL  16  -7.131  -5.358  -2.305
  119   1HG1  VAL  16          HG11      VAL  16  -8.163  -7.693  -0.662
  120   2HG1  VAL  16          HG12      VAL  16  -7.337  -6.233  -0.048
  121   3HG1  VAL  16          HG13      VAL  16  -8.932  -6.103  -0.805
  122   1HG2  VAL  16          HG21      VAL  16  -5.511  -7.035  -3.219
  123   2HG2  VAL  16          HG22      VAL  16  -5.295  -6.762  -1.490
  124   3HG2  VAL  16          HG23      VAL  16  -6.098  -8.223  -2.032
  125    H    LYS  17           H        LYS  17  -8.837  -4.496  -4.111
  126    HA   LYS  17           HA       LYS  17  -7.007  -4.496  -6.385
  127   1HB   LYS  17          HB2       LYS  17  -9.981  -3.794  -6.651
  128   2HB   LYS  17          HB3       LYS  17  -8.746  -3.501  -7.881
  129   1HG   LYS  17          HG2       LYS  17  -8.329  -5.977  -7.992
  130   2HG   LYS  17          HG3       LYS  17  -9.704  -6.219  -6.902
  131   1HD   LYS  17          HD2       LYS  17  -9.834  -4.893  -9.643
  132   2HD   LYS  17          HD3       LYS  17 -10.281  -6.567  -9.284
  133   1HE   LYS  17          HE2       LYS  17 -12.031  -5.759  -7.701
  134   2HE   LYS  17          HE3       LYS  17 -11.617  -4.087  -8.106
  135   1HZ   LYS  17          HZ1       LYS  17 -12.671  -6.090 -10.018
  136   2HZ   LYS  17          HZ2       LYS  17 -13.514  -4.856  -9.375
  137   3HZ   LYS  17          HZ3       LYS  17 -12.283  -4.546 -10.394
  138    H    ALA  18           H        ALA  18  -6.648  -2.152  -7.015
  139    HA   ALA  18           HA       ALA  18  -6.611  -0.295  -4.865
  140   1HB   ALA  18          HB1       ALA  18  -6.637   0.226  -7.868
  141   2HB   ALA  18          HB2       ALA  18  -6.180   1.392  -6.609
  142   3HB   ALA  18          HB3       ALA  18  -5.192  -0.058  -6.865
  143    H    GLY  19           H        GLY  19  -8.117   1.100  -4.052
  144   1HA   GLY  19          HA2       GLY  19  -9.994   2.381  -3.919
  145   2HA   GLY  19          HA3       GLY  19 -10.509   1.849  -5.524
  146    H    ASP  20           H        ASP  20  -9.935  -1.068  -3.931
  147    HA   ASP  20           HA       ASP  20 -12.776  -1.448  -3.395
  148   1HB   ASP  20          HB2       ASP  20 -11.278  -3.212  -4.355
  149   2HB   ASP  20          HB3       ASP  20 -10.416  -3.275  -2.811
  150    H    GLN  21           H        GLN  21 -13.617  -2.148  -1.300
  151    HA   GLN  21           HA       GLN  21 -12.389  -0.724   1.015
  152   1HB   GLN  21          HB2       GLN  21 -14.783  -0.311   0.507
  153   2HB   GLN  21          HB3       GLN  21 -15.102  -2.040   0.548
  154   1HG   GLN  21          HG2       GLN  21 -15.917  -1.157   2.581
  155   2HG   GLN  21          HG3       GLN  21 -14.483  -2.068   2.994
  156   1HE2  GLN  21          HE22      GLN  21 -13.148  -0.987   4.497
  157   2HE2  GLN  21          HE21      GLN  21 -13.134   0.748   4.695
  158    H    ILE  22           H        ILE  22 -11.591  -1.902   2.761
  159    HA   ILE  22           HA       ILE  22 -12.226  -4.776   2.993
  160    HB   ILE  22           HB       ILE  22  -9.957  -5.328   3.641
  161   1HG1  ILE  22          HG12      ILE  22  -9.117  -2.520   2.795
  162   2HG1  ILE  22          HG13      ILE  22  -9.198  -3.110   4.460
  163   1HG2  ILE  22          HG21      ILE  22  -8.957  -5.412   1.462
  164   2HG2  ILE  22          HG22      ILE  22 -10.702  -5.585   1.275
  165   3HG2  ILE  22          HG23      ILE  22  -9.918  -4.039   0.886
  166   1HD1  ILE  22          HD11      ILE  22  -7.304  -4.029   2.269
  167   2HD1  ILE  22          HD12      ILE  22  -6.926  -3.249   3.820
  168   3HD1  ILE  22          HD13      ILE  22  -7.519  -4.910   3.795
  169    H    GLU  23           H        GLU  23 -11.590  -5.563   5.252
  170    HA   GLU  23           HA       GLU  23 -12.188  -3.535   7.296
  171   1HB   GLU  23          HB2       GLU  23 -14.345  -4.346   6.275
  172   2HB   GLU  23          HB3       GLU  23 -13.903  -5.997   6.744
  173   1HG   GLU  23          HG2       GLU  23 -13.823  -5.277   9.122
  174   2HG   GLU  23          HG3       GLU  23 -14.214  -3.626   8.630
  175    H    LYS  24           H        LYS  24 -11.275  -4.252   9.286
  176    HA   LYS  24           HA       LYS  24  -9.073  -5.916   9.190
  177   1HB   LYS  24          HB2       LYS  24  -9.557  -4.282  10.977
  178   2HB   LYS  24          HB3       LYS  24 -10.819  -5.341  11.623
  179   1HG   LYS  24          HG2       LYS  24  -9.134  -7.106  12.064
  180   2HG   LYS  24          HG3       LYS  24  -7.864  -6.089  11.387
  181   1HD   LYS  24          HD2       LYS  24  -9.541  -5.410  13.845
  182   2HD   LYS  24          HD3       LYS  24  -7.935  -6.150  13.882
  183   1HE   LYS  24          HE2       LYS  24  -6.990  -4.163  12.715
  184   2HE   LYS  24          HE3       LYS  24  -8.588  -3.397  12.741
  185   1HZ   LYS  24          HZ1       LYS  24  -8.497  -3.450  15.168
  186   2HZ   LYS  24          HZ2       LYS  24  -7.020  -4.150  15.139
  187   3HZ   LYS  24          HZ3       LYS  24  -7.217  -2.637  14.574
  188    H    GLY  25           H        GLY  25  -8.713  -8.046   9.089
  189   1HA   GLY  25          HA2       GLY  25  -8.975 -10.294   9.551
  190   2HA   GLY  25          HA3       GLY  25 -10.543  -9.983  10.294
  191    H    GLN  26           H        GLN  26 -10.739  -8.478   7.254
  192    HA   GLN  26           HA       GLN  26 -12.267 -10.639   6.051
  193   1HB   GLN  26          HB2       GLN  26 -12.658  -8.125   5.683
  194   2HB   GLN  26          HB3       GLN  26 -11.133  -8.102   4.790
  195   1HG   GLN  26          HG2       GLN  26 -12.344 -10.093   3.418
  196   2HG   GLN  26          HG3       GLN  26 -13.789  -9.335   4.058
  197   1HE2  GLN  26          HE22      GLN  26 -11.217  -9.159   1.721
  198   2HE2  GLN  26          HE21      GLN  26 -11.712  -7.650   0.968
  199    H    GLU  27           H        GLU  27 -11.460 -12.051   4.474
  200    HA   GLU  27           HA       GLU  27  -8.633 -12.493   4.117
  201   1HB   GLU  27          HB2       GLU  27 -10.413 -14.203   3.883
  202   2HB   GLU  27          HB3       GLU  27 -11.023 -13.375   2.447
  203   1HG   GLU  27          HG2       GLU  27  -8.924 -13.846   1.252
  204   2HG   GLU  27          HG3       GLU  27  -8.207 -14.523   2.719
  205    H    VAL  28           H        VAL  28  -7.226 -11.416   2.805
  206    HA   VAL  28           HA       VAL  28  -8.315  -9.849   0.525
  207    HB   VAL  28           HB       VAL  28  -6.382  -8.327   0.896
  208   1HG1  VAL  28          HG11      VAL  28  -8.269  -8.514   3.286
  209   2HG1  VAL  28          HG12      VAL  28  -7.432  -7.066   2.686
  210   3HG1  VAL  28          HG13      VAL  28  -8.704  -7.832   1.716
  211   1HG2  VAL  28          HG21      VAL  28  -6.113  -9.671   3.614
  212   2HG2  VAL  28          HG22      VAL  28  -4.927  -9.799   2.295
  213   3HG2  VAL  28          HG23      VAL  28  -5.252  -8.232   3.055
  214    H    ALA  29           H        ALA  29  -5.944 -12.337   1.579
  215    HA   ALA  29           HA       ALA  29  -5.673 -13.019  -1.216
  216   1HB   ALA  29          HB1       ALA  29  -3.268 -11.969   0.329
  217   2HB   ALA  29          HB2       ALA  29  -3.159 -12.902  -1.182
  218   3HB   ALA  29          HB3       ALA  29  -3.931 -11.315  -1.172
  219    H    ILE  30           H        ILE  30  -3.984 -14.946  -1.285
  220    HA   ILE  30           HA       ILE  30  -4.110 -16.590   1.190
  221    HB   ILE  30           HB       ILE  30  -5.083 -17.413  -1.582
  222   1HG1  ILE  30          HG12      ILE  30  -6.473 -17.307   1.136
  223   2HG1  ILE  30          HG13      ILE  30  -6.802 -16.284  -0.264
  224   1HG2  ILE  30          HG21      ILE  30  -5.346 -19.705  -0.691
  225   2HG2  ILE  30          HG22      ILE  30  -3.682 -19.210  -0.676
  226   3HG2  ILE  30          HG23      ILE  30  -4.598 -19.191   0.848
  227   1HD1  ILE  30          HD11      ILE  30  -7.421 -19.239   0.030
  228   2HD1  ILE  30          HD12      ILE  30  -8.541 -17.890  -0.224
  229   3HD1  ILE  30          HD13      ILE  30  -7.450 -18.392  -1.533
  230    H    LEU  31           H        LEU  31  -2.343 -17.859   1.444
  231    HA   LEU  31           HA       LEU  31  -0.125 -17.734  -0.540
  232   1HB   LEU  31          HB2       LEU  31  -0.280 -18.584   2.377
  233   2HB   LEU  31          HB3       LEU  31   1.137 -18.852   1.404
  234    HG   LEU  31           HG       LEU  31  -0.026 -16.192   2.242
  235   1HD1  LEU  31          HD11      LEU  31   2.084 -15.977   3.471
  236   2HD1  LEU  31          HD12      LEU  31   1.257 -17.465   3.925
  237   3HD1  LEU  31          HD13      LEU  31   2.648 -17.526   2.821
  238   1HD2  LEU  31          HD21      LEU  31   1.966 -15.178   1.080
  239   2HD2  LEU  31          HD22      LEU  31   2.319 -16.763   0.358
  240   3HD2  LEU  31          HD23      LEU  31   0.837 -15.879  -0.062
  241    H    GLU  32           H        GLU  32   0.259 -19.413  -1.649
  242    HA   GLU  32           HA       GLU  32  -0.161 -22.134  -0.599
  243   1HB   GLU  32          HB2       GLU  32  -0.321 -22.088  -3.016
  244   2HB   GLU  32          HB3       GLU  32   1.051 -21.001  -3.175
  245   1HG   GLU  32          HG2       GLU  32   1.639 -23.627  -1.841
  246   2HG   GLU  32          HG3       GLU  32   1.134 -23.707  -3.517
  247    H    SER  33           H        SER  33   1.575 -22.930   0.515
  248    HA   SER  33           HA       SER  33   4.089 -21.348   0.653
  249   1HB   SER  33          HB2       SER  33   2.157 -22.011   2.854
  250   2HB   SER  33          HB3       SER  33   3.896 -22.056   3.204
  251    HG   SER  33           HG       SER  33   4.067 -19.936   2.557
  252    H    MET  34           H        MET  34   4.688 -22.961  -0.870
  253    HA   MET  34           HA       MET  34   5.734 -24.837  -1.487
  254   1HB   MET  34          HB2       MET  34   6.546 -25.256   1.405
  255   2HB   MET  34          HB3       MET  34   7.415 -25.724  -0.058
  256   1HG   MET  34          HG2       MET  34   6.987 -22.933   1.056
  257   2HG   MET  34          HG3       MET  34   8.501 -23.815   0.946
  258   1HE   MET  34          HE1       MET  34   7.693 -20.747   0.040
  259   2HE   MET  34          HE2       MET  34   9.366 -21.349   0.053
  260   3HE   MET  34          HE3       MET  34   8.708 -20.578  -1.407
  261    H    LYS  35           H        BTL  35   3.073 -25.107  -1.154
  262    HA   LYS  35           HA       BTL  35   1.581 -26.638  -1.619
  263   1HB   LYS  35          HB2       BTL  35   3.255 -28.848  -0.381
  264   2HB   LYS  35          HB3       BTL  35   1.761 -29.027  -1.289
  265   1HG   LYS  35          HG2       BTL  35   2.811 -28.001  -3.283
  266   2HG   LYS  35          HG3       BTL  35   4.358 -27.908  -2.425
  267   1HD   LYS  35          HD2       BTL  35   4.328 -30.368  -2.105
  268   2HD   LYS  35          HD3       BTL  35   2.801 -30.463  -3.008
  269   1HE   LYS  35          HE2       BTL  35   5.362 -29.305  -4.192
  270   2HE   LYS  35          HE3       BTL  35   4.912 -31.016  -4.314
  271   1HZ   LYS  35          HZ1       BTL  35   2.880 -30.388  -5.459
  272    H    MET  36           H        MET  36   2.228 -25.302   1.228
  273    HA   MET  36           HA       MET  36  -0.051 -26.559   2.675
  274   1HB   MET  36          HB2       MET  36   1.914 -24.408   3.561
  275   2HB   MET  36          HB3       MET  36   0.661 -25.157   4.547
  276   1HG   MET  36          HG2       MET  36   1.760 -27.359   4.295
  277   2HG   MET  36          HG3       MET  36   3.055 -26.615   3.356
  278   1HE   MET  36          HE1       MET  36   4.937 -25.126   4.268
  279   2HE   MET  36          HE2       MET  36   3.778 -23.910   4.848
  280   3HE   MET  36          HE3       MET  36   5.044 -24.518   5.935
  281    H    GLU  37           H        GLU  37  -1.546 -24.803   3.657
  282    HA   GLU  37           HA       GLU  37  -2.088 -22.661   1.659
  283   1HB   GLU  37          HB2       GLU  37  -4.472 -23.197   1.909
  284   2HB   GLU  37          HB3       GLU  37  -3.537 -24.516   1.190
  285   1HG   GLU  37          HG2       GLU  37  -3.563 -25.689   3.414
  286   2HG   GLU  37          HG3       GLU  37  -4.600 -24.404   4.043
  287    H    ILE  38           H        ILE  38  -2.361 -20.656   2.569
  288    HA   ILE  38           HA       ILE  38  -3.103 -20.499   5.445
  289    HB   ILE  38           HB       ILE  38  -0.732 -18.937   4.396
  290   1HG1  ILE  38          HG12      ILE  38  -0.546 -21.580   5.899
  291   2HG1  ILE  38          HG13      ILE  38  -0.097 -21.323   4.205
  292   1HG2  ILE  38          HG21      ILE  38  -1.582 -19.658   7.231
  293   2HG2  ILE  38          HG22      ILE  38  -0.302 -18.521   6.752
  294   3HG2  ILE  38          HG23      ILE  38  -1.978 -18.130   6.423
  295   1HD1  ILE  38          HD11      ILE  38   1.898 -21.337   5.453
  296   2HD1  ILE  38          HD12      ILE  38   1.610 -19.675   4.907
  297   3HD1  ILE  38          HD13      ILE  38   1.299 -20.131   6.604
  298    HA   PRO  39           HA       PRO  39  -5.494 -17.114   3.475
  299   1HB   PRO  39          HB2       PRO  39  -6.062 -16.471   6.364
  300   2HB   PRO  39          HB3       PRO  39  -7.203 -16.606   4.997
  301   1HG   PRO  39          HG2       PRO  39  -7.018 -18.586   6.863
  302   2HG   PRO  39          HG3       PRO  39  -7.225 -18.978   5.125
  303   1HD   PRO  39          HD2       PRO  39  -4.677 -19.002   6.760
  304   2HD   PRO  39          HD3       PRO  39  -5.272 -20.195   5.564
  305    H    ILE  40           H        ILE  40  -5.202 -14.772   3.410
  306    HA   ILE  40           HA       ILE  40  -3.377 -13.581   5.404
  307    HB   ILE  40           HB       ILE  40  -3.471 -12.689   2.520
  308   1HG1  ILE  40          HG12      ILE  40  -1.474 -14.723   3.603
  309   2HG1  ILE  40          HG13      ILE  40  -2.721 -15.024   2.388
  310   1HG2  ILE  40          HG21      ILE  40  -1.301 -11.624   3.166
  311   2HG2  ILE  40          HG22      ILE  40  -2.600 -11.147   4.259
  312   3HG2  ILE  40          HG23      ILE  40  -1.417 -12.374   4.764
  313   1HD1  ILE  40          HD11      ILE  40  -0.152 -13.554   2.066
  314   2HD1  ILE  40          HD12      ILE  40  -1.005 -14.690   0.984
  315   3HD1  ILE  40          HD13      ILE  40  -1.548 -13.024   1.108
  316    H    VAL  41           H        VAL  41  -4.508 -12.060   6.437
  317    HA   VAL  41           HA       VAL  41  -7.073 -11.143   5.271
  318    HB   VAL  41           HB       VAL  41  -7.819 -11.065   7.691
  319   1HG1  VAL  41          HG11      VAL  41  -7.239 -13.774   6.402
  320   2HG1  VAL  41          HG12      VAL  41  -8.317 -13.528   7.794
  321   3HG1  VAL  41          HG13      VAL  41  -8.710 -12.784   6.256
  322   1HG2  VAL  41          HG21      VAL  41  -6.733 -12.487   9.328
  323   2HG2  VAL  41          HG22      VAL  41  -5.554 -13.076   8.149
  324   3HG2  VAL  41          HG23      VAL  41  -5.497 -11.379   8.715
  325    H    ALA  42           H        ALA  42  -7.824  -9.087   5.941
  326    HA   ALA  42           HA       ALA  42  -5.906  -7.056   5.629
  327   1HB   ALA  42          HB1       ALA  42  -7.811  -5.539   6.123
  328   2HB   ALA  42          HB2       ALA  42  -8.302  -6.841   5.014
  329   3HB   ALA  42          HB3       ALA  42  -8.734  -6.923   6.729
  330    H    ASP  43           H        ASP  43  -4.434  -6.496   7.054
  331    HA   ASP  43           HA       ASP  43  -4.358  -6.812   9.846
  332   1HB   ASP  43          HB2       ASP  43  -2.371  -6.193   8.645
  333   2HB   ASP  43          HB3       ASP  43  -3.113  -4.704   8.050
  334    H    ARG  44           H        ARG  44  -5.964  -4.239   7.962
  335    HA   ARG  44           HA       ARG  44  -7.388  -3.305  10.322
  336   1HB   ARG  44          HB2       ARG  44  -6.596  -1.016  10.220
  337   2HB   ARG  44          HB3       ARG  44  -5.218  -2.090  10.418
  338   1HG   ARG  44          HG2       ARG  44  -5.141  -1.895   7.728
  339   2HG   ARG  44          HG3       ARG  44  -6.020  -0.402   8.056
  340   1HD   ARG  44          HD2       ARG  44  -3.220  -1.205   8.908
  341   2HD   ARG  44          HD3       ARG  44  -3.705   0.137   7.890
  342    HE   ARG  44           HE       ARG  44  -4.484   1.353   9.773
  343   1HH1  ARG  44          HH11      ARG  44  -2.842  -1.700  10.775
  344   2HH1  ARG  44          HH12      ARG  44  -2.429  -1.062  12.327
  345   1HH2  ARG  44          HH22      ARG  44  -3.944   2.110  11.768
  346   2HH2  ARG  44          HH21      ARG  44  -3.109   1.135  12.947
  347    H    SER  45           H        SER  45  -9.208  -1.927   9.704
  348    HA   SER  45           HA       SER  45 -10.306  -2.485   7.105
  349   1HB   SER  45          HB2       SER  45 -11.136  -0.415   9.190
  350   2HB   SER  45          HB3       SER  45 -12.158  -1.112   7.916
  351    HG   SER  45           HG       SER  45 -12.393  -2.064  10.058
  352    H    GLY  46           H        GLY  46 -10.718  -0.954   5.384
  353   1HA   GLY  46          HA2       GLY  46 -10.297   1.761   5.370
  354   2HA   GLY  46          HA3       GLY  46  -8.686   1.092   5.047
  355    H    ILE  47           H        ILE  47  -9.459   2.534   3.054
  356    HA   ILE  47           HA       ILE  47 -10.577   0.688   0.999
  357    HB   ILE  47           HB       ILE  47 -10.136   3.698   0.972
  358   1HG1  ILE  47          HG12      ILE  47 -12.600   1.885   0.847
  359   2HG1  ILE  47          HG13      ILE  47 -12.140   2.942   2.183
  360   1HG2  ILE  47          HG21      ILE  47 -11.088   1.892  -1.295
  361   2HG2  ILE  47          HG22      ILE  47 -11.011   3.669  -1.339
  362   3HG2  ILE  47          HG23      ILE  47  -9.527   2.745  -1.241
  363   1HD1  ILE  47          HD11      ILE  47 -13.147   3.785  -0.550
  364   2HD1  ILE  47          HD12      ILE  47 -13.931   3.989   1.021
  365   3HD1  ILE  47          HD13      ILE  47 -12.461   4.920   0.649
  366    H    VAL  48           H        VAL  48  -9.193  -0.125  -0.498
  367    HA   VAL  48           HA       VAL  48  -6.378  -0.160   0.087
  368    HB   VAL  48           HB       VAL  48  -8.000  -1.117  -2.299
  369   1HG1  VAL  48          HG11      VAL  48  -5.990  -2.620  -2.684
  370   2HG1  VAL  48          HG12      VAL  48  -5.693  -0.915  -3.013
  371   3HG1  VAL  48          HG13      VAL  48  -5.098  -1.611  -1.510
  372   1HG2  VAL  48          HG21      VAL  48  -6.981  -2.624   0.153
  373   2HG2  VAL  48          HG22      VAL  48  -8.670  -2.263  -0.226
  374   3HG2  VAL  48          HG23      VAL  48  -7.769  -3.362  -1.260
  375    H    LYS  49           H        LYS  49  -4.767   1.106  -0.714
  376    HA   LYS  49           HA       LYS  49  -5.464   3.227  -2.677
  377   1HB   LYS  49          HB2       LYS  49  -4.329   3.786  -0.481
  378   2HB   LYS  49          HB3       LYS  49  -2.935   2.844  -1.022
  379   1HG   LYS  49          HG2       LYS  49  -2.980   4.412  -3.119
  380   2HG   LYS  49          HG3       LYS  49  -4.074   5.421  -2.166
  381   1HD   LYS  49          HD2       LYS  49  -1.226   4.588  -1.482
  382   2HD   LYS  49          HD3       LYS  49  -1.761   6.199  -1.981
  383   1HE   LYS  49          HE2       LYS  49  -3.110   6.402   0.104
  384   2HE   LYS  49          HE3       LYS  49  -2.569   4.794   0.610
  385   1HZ   LYS  49          HZ1       LYS  49  -0.828   7.153   0.232
  386   2HZ   LYS  49          HZ2       LYS  49  -1.207   6.441   1.650
  387   3HZ   LYS  49          HZ3       LYS  49  -0.273   5.643   0.556
  388    H    GLU  50           H        GLU  50  -3.188   0.424  -2.042
  389    HA   GLU  50           HA       GLU  50  -3.011   0.005  -4.933
  390   1HB   GLU  50          HB2       GLU  50  -1.206   1.740  -4.191
  391   2HB   GLU  50          HB3       GLU  50  -0.448   0.396  -3.324
  392   1HG   GLU  50          HG2       GLU  50  -0.109  -0.822  -5.391
  393   2HG   GLU  50          HG3       GLU  50  -1.123   0.317  -6.288
  394    H    VAL  51           H        VAL  51  -2.212  -2.150  -5.380
  395    HA   VAL  51           HA       VAL  51  -1.882  -3.922  -3.006
  396    HB   VAL  51           HB       VAL  51  -2.699  -4.837  -5.788
  397   1HG1  VAL  51          HG11      VAL  51  -2.956  -6.128  -3.025
  398   2HG1  VAL  51          HG12      VAL  51  -3.397  -6.858  -4.585
  399   3HG1  VAL  51          HG13      VAL  51  -1.704  -6.517  -4.218
  400   1HG2  VAL  51          HG21      VAL  51  -4.545  -3.390  -5.020
  401   2HG2  VAL  51          HG22      VAL  51  -5.010  -5.091  -4.968
  402   3HG2  VAL  51          HG23      VAL  51  -4.579  -4.253  -3.466
  403    H    LYS  52           H        LYS  52   0.177  -4.648  -2.797
  404    HA   LYS  52           HA       LYS  52   2.152  -3.619  -4.703
  405   1HB   LYS  52          HB2       LYS  52   2.456  -5.063  -2.031
  406   2HB   LYS  52          HB3       LYS  52   3.737  -4.243  -2.913
  407   1HG   LYS  52          HG2       LYS  52   1.287  -2.851  -1.739
  408   2HG   LYS  52          HG3       LYS  52   2.882  -2.932  -0.995
  409   1HD   LYS  52          HD2       LYS  52   3.870  -1.713  -2.914
  410   2HD   LYS  52          HD3       LYS  52   2.252  -1.589  -3.661
  411   1HE   LYS  52          HE2       LYS  52   1.408  -0.365  -1.749
  412   2HE   LYS  52          HE3       LYS  52   2.953  -0.527  -0.894
  413   1HZ   LYS  52          HZ1       LYS  52   3.965   0.861  -2.583
  414   2HZ   LYS  52          HZ2       LYS  52   2.560   0.940  -3.442
  415   3HZ   LYS  52          HZ3       LYS  52   2.655   1.631  -1.948
  416    H    LYS  53           H        LYS  53   0.450  -6.447  -4.745
  417    HA   LYS  53           HA       LYS  53   2.526  -7.983  -6.143
  418   1HB   LYS  53          HB2       LYS  53   1.001  -9.073  -3.730
  419   2HB   LYS  53          HB3       LYS  53   2.033 -10.038  -4.800
  420   1HG   LYS  53          HG2       LYS  53   3.051  -7.793  -3.015
  421   2HG   LYS  53          HG3       LYS  53   3.058  -9.506  -2.612
  422   1HD   LYS  53          HD2       LYS  53   4.447  -9.999  -4.611
  423   2HD   LYS  53          HD3       LYS  53   4.516  -8.279  -5.000
  424   1HE   LYS  53          HE2       LYS  53   5.643  -9.683  -2.552
  425   2HE   LYS  53          HE3       LYS  53   6.553  -8.967  -3.875
  426   1HZ   LYS  53          HZ1       LYS  53   6.502  -7.591  -1.909
  427   2HZ   LYS  53          HZ2       LYS  53   5.755  -6.794  -3.158
  428   3HZ   LYS  53          HZ3       LYS  53   4.880  -7.492  -1.925
  429    H    LYS  54           H        LYS  54   1.230 -10.201  -6.808
  430    HA   LYS  54           HA       LYS  54  -1.618  -9.695  -7.295
  431   1HB   LYS  54          HB2       LYS  54  -1.502 -10.111  -9.658
  432   2HB   LYS  54          HB3       LYS  54  -0.460  -8.735  -9.307
  433   1HG   LYS  54          HG2       LYS  54   1.547 -10.123  -9.518
  434   2HG   LYS  54          HG3       LYS  54   0.580 -11.590  -9.608
  435   1HD   LYS  54          HD2       LYS  54  -0.498 -10.528 -11.744
  436   2HD   LYS  54          HD3       LYS  54   0.889  -9.432 -11.691
  437   1HE   LYS  54          HE2       LYS  54   1.554 -11.216 -13.114
  438   2HE   LYS  54          HE3       LYS  54   2.382 -11.509 -11.582
  439   1HZ   LYS  54          HZ1       LYS  54   1.417 -13.540 -12.399
  440   2HZ   LYS  54          HZ2       LYS  54   0.561 -13.135 -11.063
  441   3HZ   LYS  54          HZ3       LYS  54  -0.062 -12.882 -12.554
  442    H    GLU  55           H        GLU  55  -2.649 -11.728  -8.172
  443    HA   GLU  55           HA       GLU  55  -2.094 -14.078  -6.889
  444   1HB   GLU  55          HB2       GLU  55  -3.133 -13.871  -9.747
  445   2HB   GLU  55          HB3       GLU  55  -3.273 -15.253  -8.667
  446   1HG   GLU  55          HG2       GLU  55  -5.316 -14.403  -8.257
  447   2HG   GLU  55          HG3       GLU  55  -4.440 -13.462  -7.067
  448    H    GLY  56           H        GLY  56  -0.465 -15.462  -6.846
  449   1HA   GLY  56          HA2       GLY  56   0.916 -17.097  -7.704
  450   2HA   GLY  56          HA3       GLY  56   0.805 -16.381  -9.318
  451    H    ASP  57           H        ASP  57   1.580 -13.775  -7.328
  452    HA   ASP  57           HA       ASP  57   4.338 -13.800  -8.204
  453   1HB   ASP  57          HB2       ASP  57   2.812 -11.763  -7.783
  454   2HB   ASP  57          HB3       ASP  57   3.205 -11.967  -6.074
  455    H    PHE  58           H        PHE  58   6.179 -13.645  -6.683
  456    HA   PHE  58           HA       PHE  58   6.046 -15.808  -4.647
  457   1HB   PHE  58          HB2       PHE  58   7.925 -15.809  -6.245
  458   2HB   PHE  58          HB3       PHE  58   8.362 -14.174  -5.761
  459    HD1  PHE  58           HD1      PHE  58   9.736 -13.780  -3.819
  460    HD2  PHE  58           HD2      PHE  58   8.074 -17.699  -4.524
  461    HE1  PHE  58           HE1      PHE  58  11.153 -14.711  -2.006
  462    HE2  PHE  58           HE2      PHE  58   9.496 -18.625  -2.716
  463    HZ   PHE  58           HZ       PHE  58  11.045 -17.136  -1.460
  464    H    VAL  59           H        VAL  59   6.347 -15.374  -2.423
  465    HA   VAL  59           HA       VAL  59   6.635 -12.576  -1.542
  466    HB   VAL  59           HB       VAL  59   4.571 -12.923  -0.115
  467   1HG1  VAL  59          HG11      VAL  59   4.631 -11.360  -1.981
  468   2HG1  VAL  59          HG12      VAL  59   4.055 -12.632  -3.092
  469   3HG1  VAL  59          HG13      VAL  59   3.027 -12.072  -1.764
  470   1HG2  VAL  59          HG21      VAL  59   3.862 -15.031  -2.208
  471   2HG2  VAL  59          HG22      VAL  59   4.205 -15.344  -0.491
  472   3HG2  VAL  59          HG23      VAL  59   2.790 -14.384  -0.967
  473    H    ASN  60           H        ASN  60   6.774 -12.446   0.886
  474    HA   ASN  60           HA       ASN  60   7.586 -14.906   2.185
  475   1HB   ASN  60          HB2       ASN  60   9.562 -13.304   0.827
  476   2HB   ASN  60          HB3       ASN  60   9.786 -13.047   2.550
  477   1HD2  ASN  60          HD22      ASN  60   9.053 -15.780   0.268
  478   2HD2  ASN  60          HD21      ASN  60  10.165 -16.903   1.020
  479    H    GLU  61           H        GLU  61   8.449 -14.442   4.448
  480    HA   GLU  61           HA       GLU  61   6.462 -13.036   5.899
  481   1HB   GLU  61          HB2       GLU  61   7.859 -14.879   6.787
  482   2HB   GLU  61          HB3       GLU  61   9.290 -13.846   6.707
  483   1HG   GLU  61          HG2       GLU  61   8.183 -12.267   8.324
  484   2HG   GLU  61          HG3       GLU  61   6.814 -13.371   8.422
  485    H    GLY  62           H        GLY  62   6.119 -10.897   6.003
  486   1HA   GLY  62          HA2       GLY  62   6.575  -8.725   6.588
  487   2HA   GLY  62          HA3       GLY  62   8.316  -9.029   6.507
  488    H    ASP  63           H        ASP  63   6.839 -10.217   3.620
  489    HA   ASP  63           HA       ASP  63   7.870  -7.954   2.064
  490   1HB   ASP  63          HB2       ASP  63   8.139 -10.373   1.402
  491   2HB   ASP  63          HB3       ASP  63   6.384 -10.465   1.199
  492    H    VAL  64           H        VAL  64   6.487  -6.490   0.988
  493    HA   VAL  64           HA       VAL  64   4.047  -5.934   2.394
  494    HB   VAL  64           HB       VAL  64   3.867  -4.058   0.748
  495   1HG1  VAL  64          HG11      VAL  64   4.994  -3.824   2.906
  496   2HG1  VAL  64          HG12      VAL  64   6.542  -4.295   2.169
  497   3HG1  VAL  64          HG13      VAL  64   5.730  -2.796   1.663
  498   1HG2  VAL  64          HG21      VAL  64   6.586  -4.979  -0.294
  499   2HG2  VAL  64          HG22      VAL  64   5.054  -5.123  -1.183
  500   3HG2  VAL  64          HG23      VAL  64   5.687  -3.526  -0.764
  501    H    LEU  65           H        LEU  65   1.929  -5.817   1.657
  502    HA   LEU  65           HA       LEU  65   1.269  -7.336  -0.837
  503   1HB   LEU  65          HB2       LEU  65   0.776  -8.693   1.172
  504   2HB   LEU  65          HB3       LEU  65  -0.141  -7.370   1.865
  505    HG   LEU  65           HG       LEU  65  -1.841  -7.557   0.105
  506   1HD1  LEU  65          HD11      LEU  65  -0.531  -8.367  -1.805
  507   2HD1  LEU  65          HD12      LEU  65  -0.168  -9.880  -0.942
  508   3HD1  LEU  65          HD13      LEU  65  -1.832  -9.501  -1.447
  509   1HD2  LEU  65          HD21      LEU  65  -1.226 -10.255   1.342
  510   2HD2  LEU  65          HD22      LEU  65  -2.006  -8.899   2.191
  511   3HD2  LEU  65          HD23      LEU  65  -2.812  -9.651   0.808
  512    H    LEU  66           H        LEU  66   0.320  -4.662   1.433
  513    HA   LEU  66           HA       LEU  66  -1.381  -3.481  -0.710
  514   1HB   LEU  66          HB2       LEU  66  -2.141  -4.550   2.005
  515   2HB   LEU  66          HB3       LEU  66  -2.979  -3.145   1.436
  516    HG   LEU  66           HG       LEU  66  -2.916  -5.649  -0.276
  517   1HD1  LEU  66          HD11      LEU  66  -4.880  -4.962   1.958
  518   2HD1  LEU  66          HD12      LEU  66  -5.094  -6.253   0.760
  519   3HD1  LEU  66          HD13      LEU  66  -3.770  -6.353   1.916
  520   1HD2  LEU  66          HD21      LEU  66  -4.779  -3.265   0.015
  521   2HD2  LEU  66          HD22      LEU  66  -3.657  -3.570  -1.326
  522   3HD2  LEU  66          HD23      LEU  66  -5.055  -4.620  -1.083
  523    H    GLU  67           H        GLU  67  -1.787  -1.339  -0.429
  524    HA   GLU  67           HA       GLU  67  -0.767   0.083   1.968
  525   1HB   GLU  67          HB2       GLU  67   0.730   0.417  -0.053
  526   2HB   GLU  67          HB3       GLU  67  -0.640   1.181  -0.881
  527   1HG   GLU  67          HG2       GLU  67  -0.768   2.822   1.025
  528   2HG   GLU  67          HG3       GLU  67   0.657   2.054   1.741
  529    H    LEU  68           H        LEU  68  -2.307   1.577   2.679
  530    HA   LEU  68           HA       LEU  68  -4.981   1.375   1.346
  531   1HB   LEU  68          HB2       LEU  68  -4.387   1.407   4.324
  532   2HB   LEU  68          HB3       LEU  68  -5.950   1.180   3.546
  533    HG   LEU  68           HG       LEU  68  -3.627  -0.785   3.525
  534   1HD1  LEU  68          HD11      LEU  68  -6.349  -0.943   4.885
  535   2HD1  LEU  68          HD12      LEU  68  -5.042  -2.145   4.969
  536   3HD1  LEU  68          HD13      LEU  68  -4.818  -0.541   5.685
  537   1HD2  LEU  68          HD21      LEU  68  -6.413  -1.087   2.326
  538   2HD2  LEU  68          HD22      LEU  68  -4.870  -1.035   1.433
  539   3HD2  LEU  68          HD23      LEU  68  -5.206  -2.386   2.502
  540    H    SER  69           H        SER  69  -6.304   3.232   1.518
  541    HA   SER  69           HA       SER  69  -5.019   5.768   1.975
  542   1HB   SER  69          HB2       SER  69  -7.980   5.116   1.753
  543   2HB   SER  69          HB3       SER  69  -7.180   6.674   1.430
  544    HG   SER  69           HG       SER  69  -7.595   5.535  -0.496
  545    H    ASN  70           H        ASN  70  -6.099   3.441   4.162
  546    HA   ASN  70           HA       ASN  70  -6.380   5.433   6.359
  547   1HB   ASN  70          HB2       ASN  70  -8.446   4.037   5.885
  548   2HB   ASN  70          HB3       ASN  70  -7.487   2.605   6.295
  549   1HD2  ASN  70          HD22      ASN  70  -8.383   1.946   8.267
  550   2HD2  ASN  70          HD21      ASN  70  -8.522   2.993   9.665
  551    H    SER  71           H        SER  71  -3.887   4.185   5.096
  552    HA   SER  71           HA       SER  71  -2.718   2.409   7.033
  553   1HB   SER  71          HB2       SER  71  -1.355   4.485   5.271
  554   2HB   SER  71          HB3       SER  71  -0.591   3.114   6.097
  555    HG   SER  71           HG       SER  71  -2.386   3.155   3.918
  556    H    THR  72           H        THR  72  -2.293   2.861   9.096
  557    HA   THR  72           HA       THR  72  -2.006   5.652  10.074
  558    HB   THR  72           HB       THR  72  -3.755   4.787  11.895
  559    HG1  THR  72           HG1      THR  72  -4.760   3.499   9.592
  560   1HG2  THR  72          HG21      THR  72  -4.673   5.718   9.147
  561   2HG2  THR  72          HG22      THR  72  -5.597   5.795  10.662
  562   3HG2  THR  72          HG23      THR  72  -4.122   6.756  10.478
  563    H    GLN  73           H        GLN  73  -0.454   2.915   9.874
  564    HA   GLN  73           HA       GLN  73   0.154   1.969  12.448
  565   1HB   GLN  73          HB2       GLN  73   2.080   2.209  10.090
  566   2HB   GLN  73          HB3       GLN  73   2.231   1.156  11.490
  567   1HG   GLN  73          HG2       GLN  73   1.453  -0.323   9.901
  568   2HG   GLN  73          HG3       GLN  73  -0.047   0.120  10.708
  569   1HE2  GLN  73          HE22      GLN  73   1.963   0.659   7.782
  570   2HE2  GLN  73          HE21      GLN  73   0.635   1.182   6.760
  571    HN3  BTI 135           HN3      BTL  35  -4.469 -25.686  -2.319
  572    HN2  BTI 135           HN2      BTL  35  -2.537 -25.058  -5.786
  573    H4   BTI 135           H4       BTL  35  -1.220 -24.034  -3.867
  574    H2   BTI 135           H2       BTL  35   0.335 -25.813  -3.469
  575    H62  BTI 135           H62      BTL  35  -0.939 -26.268  -1.235
  576    H63  BTI 135           H63      BTL  35  -2.518 -27.086  -1.267
  577    H5   BTI 135           H5       BTL  35  -2.310 -24.446  -1.843
  578    H72  BTI 135           H72      BTL  35  -0.895 -26.752  -6.060
  579    H73  BTI 135           H73      BTL  35   0.129 -25.306  -5.900
  580    H82  BTI 135           H82      BTL  35   1.963 -26.668  -4.995
  581    H83  BTI 135           H83      BTL  35   0.942 -28.110  -5.061
  582    H92  BTI 135           H92      BTL  35   0.734 -27.589  -7.606
  583    H93  BTI 135           H93      BTL  35   2.093 -26.481  -7.360
  584   H102  BTI 135          H102      BTL  35   1.965 -29.495  -7.124
  585   H103  BTI 135          H103      BTL  35   3.013 -28.535  -8.160
  Start of MODEL   17
    1   1H    THR   2           H1       THR   2  -0.674   0.776   5.458
    2   2H    THR   2           H2       THR   2  -1.812  -0.381   5.736
    3   3H    THR   2           H3       THR   2  -0.567  -0.189   6.785
    4    HA   THR   2           HA       THR   2  -0.332  -1.108   4.009
    5    HB   THR   2           HB       THR   2   1.832  -0.762   6.122
    6    HG1  THR   2           HG1      THR   2   2.412   1.005   4.915
    7   1HG2  THR   2          HG21      THR   2   2.403  -2.545   4.457
    8   2HG2  THR   2          HG22      THR   2   2.107  -1.382   3.141
    9   3HG2  THR   2          HG23      THR   2   3.427  -1.117   4.295
   10    H    VAL   3           H        VAL   3   0.026  -3.390   3.763
   11    HA   VAL   3           HA       VAL   3  -0.039  -5.041   6.207
   12    HB   VAL   3           HB       VAL   3  -1.651  -5.953   3.820
   13   1HG1  VAL   3          HG11      VAL   3  -1.772  -6.627   6.775
   14   2HG1  VAL   3          HG12      VAL   3  -2.817  -7.318   5.514
   15   3HG1  VAL   3          HG13      VAL   3  -1.087  -7.636   5.483
   16   1HG2  VAL   3          HG21      VAL   3  -2.836  -4.322   6.106
   17   2HG2  VAL   3          HG22      VAL   3  -2.801  -3.857   4.389
   18   3HG2  VAL   3          HG23      VAL   3  -3.763  -5.240   4.893
   19    H    SER   4           H        SER   4   1.040  -7.075   5.825
   20    HA   SER   4           HA       SER   4   2.629  -7.347   3.351
   21   1HB   SER   4          HB2       SER   4   3.805  -7.273   6.158
   22   2HB   SER   4          HB3       SER   4   4.704  -7.535   4.663
   23    HG   SER   4           HG       SER   4   4.820  -5.354   5.462
   24    H    ILE   5           H        ILE   5   3.782  -9.415   3.390
   25    HA   ILE   5           HA       ILE   5   2.135 -11.591   4.470
   26    HB   ILE   5           HB       ILE   5   4.512 -11.432   2.554
   27   1HG1  ILE   5          HG12      ILE   5   2.611 -10.458   1.486
   28   2HG1  ILE   5          HG13      ILE   5   2.804 -12.061   0.827
   29   1HG2  ILE   5          HG21      ILE   5   2.863 -13.815   3.427
   30   2HG2  ILE   5          HG22      ILE   5   3.864 -13.814   1.962
   31   3HG2  ILE   5          HG23      ILE   5   4.626 -13.584   3.522
   32   1HD1  ILE   5          HD11      ILE   5   0.722 -11.195   2.856
   33   2HD1  ILE   5          HD12      ILE   5   0.464 -11.665   1.169
   34   3HD1  ILE   5          HD13      ILE   5   0.969 -12.887   2.348
   35    H    GLN   6           H        GLN   6   3.116 -13.341   5.605
   36    HA   GLN   6           HA       GLN   6   5.222 -12.498   7.532
   37   1HB   GLN   6          HB2       GLN   6   3.862 -13.307   9.309
   38   2HB   GLN   6          HB3       GLN   6   2.874 -12.211   8.360
   39   1HG   GLN   6          HG2       GLN   6   2.742 -15.274   8.271
   40   2HG   GLN   6          HG3       GLN   6   1.632 -14.215   9.123
   41   1HE2  GLN   6          HE22      GLN   6   0.045 -13.004   7.895
   42   2HE2  GLN   6          HE21      GLN   6  -0.265 -13.378   6.215
   43    H    MET   7           H        MET   7   4.559 -14.727   5.141
   44    HA   MET   7           HA       MET   7   6.349 -16.758   6.302
   45   1HB   MET   7          HB2       MET   7   4.147 -17.457   7.045
   46   2HB   MET   7          HB3       MET   7   3.456 -17.199   5.444
   47   1HG   MET   7          HG2       MET   7   3.808 -19.566   6.005
   48   2HG   MET   7          HG3       MET   7   4.619 -19.057   4.534
   49   1HE   MET   7          HE1       MET   7   6.921 -21.904   5.616
   50   2HE   MET   7          HE2       MET   7   5.144 -21.801   5.675
   51   3HE   MET   7          HE3       MET   7   6.026 -21.118   4.293
   52    H    ALA   8           H        ALA   8   7.315 -18.037   4.693
   53    HA   ALA   8           HA       ALA   8   7.719 -16.844   2.099
   54   1HB   ALA   8          HB1       ALA   8   8.578 -19.507   3.289
   55   2HB   ALA   8          HB2       ALA   8   9.151 -18.830   1.751
   56   3HB   ALA   8          HB3       ALA   8   9.516 -17.988   3.276
   57    H    GLY   9           H        GLY   9   6.734 -17.309   0.176
   58   1HA   GLY   9          HA2       GLY   9   5.431 -19.762  -0.436
   59   2HA   GLY   9          HA3       GLY   9   4.255 -18.676   0.307
   60    H    ASN  10           H        ASN  10   3.150 -18.900  -1.644
   61    HA   ASN  10           HA       ASN  10   3.948 -16.992  -3.780
   62   1HB   ASN  10          HB2       ASN  10   2.837 -19.808  -4.178
   63   2HB   ASN  10          HB3       ASN  10   2.999 -18.590  -5.442
   64   1HD2  ASN  10          HD21      ASN  10   4.734 -20.959  -3.470
   65   2HD2  ASN  10          HD22      ASN  10   6.303 -20.700  -4.207
   66    H    LEU  11           H        LEU  11   2.181 -15.730  -4.333
   67    HA   LEU  11           HA       LEU  11   0.049 -15.778  -2.376
   68   1HB   LEU  11          HB2       LEU  11   1.495 -13.799  -3.196
   69   2HB   LEU  11          HB3       LEU  11   0.499 -13.807  -4.630
   70    HG   LEU  11           HG       LEU  11  -1.527 -13.447  -3.156
   71   1HD1  LEU  11          HD11      LEU  11  -1.004 -12.580  -0.802
   72   2HD1  LEU  11          HD12      LEU  11  -0.827 -14.323  -1.004
   73   3HD1  LEU  11          HD13      LEU  11   0.610 -13.273  -0.975
   74   1HD2  LEU  11          HD21      LEU  11  -1.010 -11.085  -2.723
   75   2HD2  LEU  11          HD22      LEU  11   0.733 -11.425  -2.789
   76   3HD2  LEU  11          HD23      LEU  11  -0.271 -11.580  -4.249
   77    H    TRP  12           H        TRP  12  -0.631 -17.844  -3.270
   78    HA   TRP  12           HA       TRP  12  -1.640 -18.747  -5.535
   79   1HB   TRP  12          HB2       TRP  12  -1.581 -20.019  -3.555
   80   2HB   TRP  12          HB3       TRP  12  -2.663 -18.938  -2.706
   81    HD1  TRP  12           HD1      TRP  12  -4.295 -19.999  -5.914
   82    HE1  TRP  12           HE1      TRP  12  -6.049 -21.772  -5.426
   83    HE3  TRP  12           HE3      TRP  12  -2.929 -21.174  -1.143
   84    HZ2  TRP  12           HZ2      TRP  12  -6.991 -23.264  -3.118
   85    HZ3  TRP  12           HZ3      TRP  12  -4.277 -22.736   0.183
   86    HH2  TRP  12           HH2      TRP  12  -6.336 -23.773  -0.764
   87    H    LYS  13           H        LYS  13  -3.624 -16.526  -3.455
   88    HA   LYS  13           HA       LYS  13  -5.017 -15.684  -5.880
   89   1HB   LYS  13          HB2       LYS  13  -6.538 -16.887  -3.553
   90   2HB   LYS  13          HB3       LYS  13  -7.252 -15.764  -4.723
   91   1HG   LYS  13          HG2       LYS  13  -6.572 -17.288  -6.591
   92   2HG   LYS  13          HG3       LYS  13  -6.072 -18.476  -5.384
   93   1HD   LYS  13          HD2       LYS  13  -8.894 -17.396  -5.750
   94   2HD   LYS  13          HD3       LYS  13  -8.288 -18.972  -6.293
   95   1HE   LYS  13          HE2       LYS  13  -7.685 -19.511  -3.917
   96   2HE   LYS  13          HE3       LYS  13  -8.450 -17.997  -3.410
   97   1HZ   LYS  13          HZ1       LYS  13  -9.844 -20.248  -4.762
   98   2HZ   LYS  13          HZ2       LYS  13  -9.971 -19.874  -3.184
   99   3HZ   LYS  13          HZ3       LYS  13 -10.558 -18.852  -4.308
  100    H    VAL  14           H        VAL  14  -6.199 -13.714  -5.574
  101    HA   VAL  14           HA       VAL  14  -5.529 -12.116  -3.200
  102    HB   VAL  14           HB       VAL  14  -4.874 -11.355  -6.087
  103   1HG1  VAL  14          HG11      VAL  14  -4.749  -9.650  -3.558
  104   2HG1  VAL  14          HG12      VAL  14  -4.085  -9.200  -5.146
  105   3HG1  VAL  14          HG13      VAL  14  -5.824  -9.390  -4.963
  106   1HG2  VAL  14          HG21      VAL  14  -2.580 -10.997  -5.124
  107   2HG2  VAL  14          HG22      VAL  14  -3.159 -11.665  -3.586
  108   3HG2  VAL  14          HG23      VAL  14  -3.090 -12.684  -5.034
  109    H    HIS  15           H        HIS  15  -7.125 -10.636  -2.799
  110    HA   HIS  15           HA       HIS  15  -9.645 -10.825  -4.387
  111   1HB   HIS  15          HB2       HIS  15  -9.408 -11.141  -1.369
  112   2HB   HIS  15          HB3       HIS  15 -10.869 -11.301  -2.340
  113    HD1  HIS  15           HD1      HIS  15 -10.678 -13.496  -4.222
  114    HD2  HIS  15           HD2      HIS  15  -8.073 -13.338  -0.923
  115    HE1  HIS  15           HE1      HIS  15  -9.653 -15.819  -3.994
  116    H    VAL  16           H        VAL  16  -7.461  -8.715  -3.811
  117    HA   VAL  16           HA       VAL  16  -9.279  -6.473  -3.104
  118    HB   VAL  16           HB       VAL  16  -7.092  -5.364  -2.331
  119   1HG1  VAL  16          HG11      VAL  16  -8.910  -6.089  -0.846
  120   2HG1  VAL  16          HG12      VAL  16  -8.172  -7.693  -0.710
  121   3HG1  VAL  16          HG13      VAL  16  -7.318  -6.254  -0.080
  122   1HG2  VAL  16          HG21      VAL  16  -5.497  -7.084  -3.237
  123   2HG2  VAL  16          HG22      VAL  16  -5.284  -6.788  -1.509
  124   3HG2  VAL  16          HG23      VAL  16  -6.108  -8.244  -2.040
  125    H    LYS  17           H        LYS  17  -8.743  -4.466  -4.164
  126    HA   LYS  17           HA       LYS  17  -6.830  -4.505  -6.360
  127   1HB   LYS  17          HB2       LYS  17  -9.772  -3.735  -6.764
  128   2HB   LYS  17          HB3       LYS  17  -8.471  -3.439  -7.922
  129   1HG   LYS  17          HG2       LYS  17  -8.083  -5.926  -8.043
  130   2HG   LYS  17          HG3       LYS  17  -9.530  -6.158  -7.053
  131   1HD   LYS  17          HD2       LYS  17  -9.407  -4.797  -9.777
  132   2HD   LYS  17          HD3       LYS  17  -9.958  -6.440  -9.494
  133   1HE   LYS  17          HE2       LYS  17 -11.294  -3.931  -8.366
  134   2HE   LYS  17          HE3       LYS  17 -11.795  -4.772  -9.831
  135   1HZ   LYS  17          HZ1       LYS  17 -13.129  -5.459  -7.967
  136   2HZ   LYS  17          HZ2       LYS  17 -12.268  -6.733  -8.493
  137   3HZ   LYS  17          HZ3       LYS  17 -11.832  -5.960  -7.118
  138    H    ALA  18           H        ALA  18  -6.385  -2.163  -6.963
  139    HA   ALA  18           HA       ALA  18  -6.409  -0.301  -4.820
  140   1HB   ALA  18          HB1       ALA  18  -6.309   0.203  -7.826
  141   2HB   ALA  18          HB2       ALA  18  -5.889   1.371  -6.558
  142   3HB   ALA  18          HB3       ALA  18  -4.909  -0.092  -6.765
  143    H    GLY  19           H        GLY  19  -7.931   1.089  -4.063
  144   1HA   GLY  19          HA2       GLY  19  -9.772   2.449  -4.046
  145   2HA   GLY  19          HA3       GLY  19 -10.278   1.846  -5.629
  146    H    ASP  20           H        ASP  20  -9.774  -1.027  -4.034
  147    HA   ASP  20           HA       ASP  20 -12.602  -1.380  -3.507
  148   1HB   ASP  20          HB2       ASP  20 -11.058  -3.150  -4.397
  149   2HB   ASP  20          HB3       ASP  20 -10.269  -3.201  -2.813
  150    H    GLN  21           H        GLN  21 -13.451  -2.129  -1.407
  151    HA   GLN  21           HA       GLN  21 -12.265  -0.692   0.932
  152   1HB   GLN  21          HB2       GLN  21 -14.637  -0.202   0.406
  153   2HB   GLN  21          HB3       GLN  21 -15.003  -1.922   0.381
  154   1HG   GLN  21          HG2       GLN  21 -15.852  -1.113   2.417
  155   2HG   GLN  21          HG3       GLN  21 -14.435  -2.041   2.844
  156   1HE2  GLN  21          HE22      GLN  21 -13.096  -1.010   4.382
  157   2HE2  GLN  21          HE21      GLN  21 -13.098   0.719   4.646
  158    H    ILE  22           H        ILE  22 -11.498  -1.899   2.653
  159    HA   ILE  22           HA       ILE  22 -12.205  -4.768   2.839
  160    HB   ILE  22           HB       ILE  22  -9.965  -5.359   3.549
  161   1HG1  ILE  22          HG12      ILE  22  -9.070  -2.547   2.777
  162   2HG1  ILE  22          HG13      ILE  22  -9.200  -3.169   4.427
  163   1HG2  ILE  22          HG21      ILE  22  -8.901  -5.410   1.399
  164   2HG2  ILE  22          HG22      ILE  22 -10.642  -5.581   1.168
  165   3HG2  ILE  22          HG23      ILE  22  -9.849  -4.031   0.815
  166   1HD1  ILE  22          HD11      ILE  22  -7.257  -4.056   2.265
  167   2HD1  ILE  22          HD12      ILE  22  -6.916  -3.326   3.850
  168   3HD1  ILE  22          HD13      ILE  22  -7.526  -4.978   3.757
  169    H    GLU  23           H        GLU  23 -11.657  -5.597   5.103
  170    HA   GLU  23           HA       GLU  23 -12.296  -3.579   7.144
  171   1HB   GLU  23          HB2       GLU  23 -14.426  -4.359   6.052
  172   2HB   GLU  23          HB3       GLU  23 -14.017  -6.018   6.521
  173   1HG   GLU  23          HG2       GLU  23 -14.010  -5.324   8.906
  174   2HG   GLU  23          HG3       GLU  23 -14.359  -3.662   8.419
  175    H    LYS  24           H        LYS  24 -11.462  -4.306   9.152
  176    HA   LYS  24           HA       LYS  24  -9.304  -6.036   9.218
  177   1HB   LYS  24          HB2       LYS  24  -9.857  -4.388  10.963
  178   2HB   LYS  24          HB3       LYS  24 -11.243  -5.355  11.469
  179   1HG   LYS  24          HG2       LYS  24  -9.745  -7.206  12.129
  180   2HG   LYS  24          HG3       LYS  24  -8.333  -6.293  11.598
  181   1HD   LYS  24          HD2       LYS  24 -10.282  -5.312  13.727
  182   2HD   LYS  24          HD3       LYS  24  -8.894  -6.308  14.123
  183   1HE   LYS  24          HE2       LYS  24  -8.599  -3.650  12.649
  184   2HE   LYS  24          HE3       LYS  24  -8.684  -3.757  14.409
  185   1HZ   LYS  24          HZ1       LYS  24  -6.610  -5.004  12.705
  186   2HZ   LYS  24          HZ2       LYS  24  -6.417  -3.757  13.738
  187   3HZ   LYS  24          HZ3       LYS  24  -6.738  -5.239  14.329
  188    H    GLY  25           H        GLY  25  -9.059  -8.170   8.985
  189   1HA   GLY  25          HA2       GLY  25  -9.406 -10.413   9.438
  190   2HA   GLY  25          HA3       GLY  25 -10.992 -10.061  10.119
  191    H    GLN  26           H        GLN  26 -11.001  -8.523   7.087
  192    HA   GLN  26           HA       GLN  26 -12.557 -10.624   5.804
  193   1HB   GLN  26          HB2       GLN  26 -12.874  -8.096   5.465
  194   2HB   GLN  26          HB3       GLN  26 -11.321  -8.097   4.619
  195   1HG   GLN  26          HG2       GLN  26 -12.535 -10.041   3.181
  196   2HG   GLN  26          HG3       GLN  26 -13.981  -9.258   3.788
  197   1HE2  GLN  26          HE22      GLN  26 -11.326  -9.108   1.538
  198   2HE2  GLN  26          HE21      GLN  26 -11.769  -7.581   0.788
  199    H    GLU  27           H        GLU  27 -11.729 -12.032   4.227
  200    HA   GLU  27           HA       GLU  27  -8.903 -12.531   3.966
  201   1HB   GLU  27          HB2       GLU  27 -10.726 -14.192   3.650
  202   2HB   GLU  27          HB3       GLU  27 -11.229 -13.350   2.180
  203   1HG   GLU  27          HG2       GLU  27  -9.086 -13.882   1.106
  204   2HG   GLU  27          HG3       GLU  27  -8.463 -14.558   2.614
  205    H    VAL  28           H        VAL  28  -7.425 -11.475   2.720
  206    HA   VAL  28           HA       VAL  28  -8.391  -9.848   0.426
  207    HB   VAL  28           HB       VAL  28  -6.430  -8.385   0.888
  208   1HG1  VAL  28          HG11      VAL  28  -8.766  -7.842   1.635
  209   2HG1  VAL  28          HG12      VAL  28  -8.401  -8.558   3.206
  210   3HG1  VAL  28          HG13      VAL  28  -7.506  -7.124   2.654
  211   1HG2  VAL  28          HG21      VAL  28  -5.377  -8.359   3.091
  212   2HG2  VAL  28          HG22      VAL  28  -6.287  -9.793   3.586
  213   3HG2  VAL  28          HG23      VAL  28  -5.060  -9.915   2.306
  214    H    ALA  29           H        ALA  29  -6.120 -12.375   1.530
  215    HA   ALA  29           HA       ALA  29  -5.715 -13.035  -1.253
  216   1HB   ALA  29          HB1       ALA  29  -3.258 -12.968  -1.194
  217   2HB   ALA  29          HB2       ALA  29  -3.911 -11.345  -0.964
  218   3HB   ALA  29          HB3       ALA  29  -3.282 -12.248   0.429
  219    H    ILE  30           H        ILE  30  -4.121 -15.030  -1.269
  220    HA   ILE  30           HA       ILE  30  -4.215 -16.565   1.269
  221    HB   ILE  30           HB       ILE  30  -5.001 -17.801  -1.404
  222   1HG1  ILE  30          HG12      ILE  30  -6.817 -17.088   0.947
  223   2HG1  ILE  30          HG13      ILE  30  -6.833 -16.350  -0.658
  224   1HG2  ILE  30          HG21      ILE  30  -4.979 -18.920   1.443
  225   2HG2  ILE  30          HG22      ILE  30  -5.520 -19.798  -0.010
  226   3HG2  ILE  30          HG23      ILE  30  -3.846 -19.341   0.142
  227   1HD1  ILE  30          HD11      ILE  30  -7.689 -19.158   0.065
  228   2HD1  ILE  30          HD12      ILE  30  -8.631 -17.857  -0.678
  229   3HD1  ILE  30          HD13      ILE  30  -7.342 -18.660  -1.607
  230    H    LEU  31           H        LEU  31  -2.401 -17.799   1.549
  231    HA   LEU  31           HA       LEU  31  -0.227 -17.668  -0.484
  232   1HB   LEU  31          HB2       LEU  31  -0.339 -18.400   2.458
  233   2HB   LEU  31          HB3       LEU  31   1.080 -18.726   1.485
  234    HG   LEU  31           HG       LEU  31  -0.081 -15.975   2.032
  235   1HD1  LEU  31          HD11      LEU  31   2.486 -17.344   2.991
  236   2HD1  LEU  31          HD12      LEU  31   1.921 -15.725   3.444
  237   3HD1  LEU  31          HD13      LEU  31   1.021 -17.137   3.972
  238   1HD2  LEU  31          HD21      LEU  31   2.045 -15.148   1.038
  239   2HD2  LEU  31          HD22      LEU  31   2.398 -16.801   0.475
  240   3HD2  LEU  31          HD23      LEU  31   0.990 -15.912  -0.150
  241    H    GLU  32           H        GLU  32   0.145 -19.360  -1.585
  242    HA   GLU  32           HA       GLU  32  -0.207 -22.086  -0.509
  243   1HB   GLU  32          HB2       GLU  32  -0.435 -22.045  -2.905
  244   2HB   GLU  32          HB3       GLU  32   0.890 -20.912  -3.110
  245   1HG   GLU  32          HG2       GLU  32   1.566 -23.573  -1.855
  246   2HG   GLU  32          HG3       GLU  32   1.069 -23.568  -3.541
  247    H    SER  33           H        SER  33   1.559 -22.862   0.570
  248    HA   SER  33           HA       SER  33   4.065 -21.270   0.663
  249   1HB   SER  33          HB2       SER  33   2.150 -21.886   2.896
  250   2HB   SER  33          HB3       SER  33   3.890 -21.939   3.227
  251    HG   SER  33           HG       SER  33   4.075 -19.832   2.531
  252    H    MET  34           H        MET  34   4.688 -22.931  -0.815
  253    HA   MET  34           HA       MET  34   5.776 -24.831  -1.333
  254   1HB   MET  34          HB2       MET  34   6.646 -24.919   1.576
  255   2HB   MET  34          HB3       MET  34   7.509 -25.536   0.166
  256   1HG   MET  34          HG2       MET  34   6.994 -22.636   0.910
  257   2HG   MET  34          HG3       MET  34   8.535 -23.480   0.921
  258   1HE   MET  34          HE1       MET  34   8.760 -20.641  -1.859
  259   2HE   MET  34          HE2       MET  34   7.748 -20.587  -0.400
  260   3HE   MET  34          HE3       MET  34   9.411 -21.214  -0.308
  261    H    LYS  35           H        BTL  35   3.203 -25.281  -1.067
  262    HA   LYS  35           HA       BTL  35   1.794 -26.911  -1.339
  263   1HB   LYS  35          HB2       BTL  35   3.469 -28.937   0.176
  264   2HB   LYS  35          HB3       BTL  35   2.131 -29.224  -0.927
  265   1HG   LYS  35          HG2       BTL  35   4.895 -28.254  -1.717
  266   2HG   LYS  35          HG3       BTL  35   4.176 -29.838  -2.001
  267   1HD   LYS  35          HD2       BTL  35   2.414 -28.759  -3.420
  268   2HD   LYS  35          HD3       BTL  35   3.223 -27.196  -3.180
  269   1HE   LYS  35          HE2       BTL  35   5.321 -28.219  -4.164
  270   2HE   LYS  35          HE3       BTL  35   4.357 -29.651  -4.589
  271   1HZ   LYS  35          HZ1       BTL  35   4.015 -26.870  -5.580
  272    H    MET  36           H        MET  36   2.225 -25.216   1.284
  273    HA   MET  36           HA       MET  36   0.009 -26.517   2.802
  274   1HB   MET  36          HB2       MET  36   1.990 -24.403   3.727
  275   2HB   MET  36          HB3       MET  36   0.739 -25.178   4.696
  276   1HG   MET  36          HG2       MET  36   1.841 -27.362   4.432
  277   2HG   MET  36          HG3       MET  36   3.115 -26.628   3.458
  278   1HE   MET  36          HE1       MET  36   5.044 -25.183   4.301
  279   2HE   MET  36          HE2       MET  36   3.921 -23.938   4.890
  280   3HE   MET  36          HE3       MET  36   5.203 -24.551   5.955
  281    H    GLU  37           H        GLU  37  -1.432 -24.805   3.820
  282    HA   GLU  37           HA       GLU  37  -2.098 -22.693   1.827
  283   1HB   GLU  37          HB2       GLU  37  -4.445 -23.301   2.261
  284   2HB   GLU  37          HB3       GLU  37  -3.531 -24.582   1.470
  285   1HG   GLU  37          HG2       GLU  37  -4.320 -24.541   4.421
  286   2HG   GLU  37          HG3       GLU  37  -5.203 -25.337   3.144
  287    H    ILE  38           H        ILE  38  -2.386 -20.667   2.685
  288    HA   ILE  38           HA       ILE  38  -3.084 -20.442   5.564
  289    HB   ILE  38           HB       ILE  38  -0.825 -18.782   4.445
  290   1HG1  ILE  38          HG12      ILE  38  -0.443 -21.381   5.979
  291   2HG1  ILE  38          HG13      ILE  38  -0.062 -21.136   4.267
  292   1HG2  ILE  38          HG21      ILE  38  -1.589 -19.514   7.295
  293   2HG2  ILE  38          HG22      ILE  38  -0.383 -18.313   6.780
  294   3HG2  ILE  38          HG23      ILE  38  -2.087 -18.025   6.467
  295   1HD1  ILE  38          HD11      ILE  38   1.963 -21.002   5.464
  296   2HD1  ILE  38          HD12      ILE  38   1.568 -19.379   4.875
  297   3HD1  ILE  38          HD13      ILE  38   1.326 -19.795   6.593
  298    HA   PRO  39           HA       PRO  39  -5.723 -17.330   3.427
  299   1HB   PRO  39          HB2       PRO  39  -6.538 -16.871   6.294
  300   2HB   PRO  39          HB3       PRO  39  -7.569 -17.057   4.848
  301   1HG   PRO  39          HG2       PRO  39  -7.305 -19.096   6.644
  302   2HG   PRO  39          HG3       PRO  39  -7.367 -19.423   4.882
  303   1HD   PRO  39          HD2       PRO  39  -4.932 -19.291   6.677
  304   2HD   PRO  39          HD3       PRO  39  -5.327 -20.466   5.383
  305    H    ILE  40           H        ILE  40  -5.400 -15.051   3.294
  306    HA   ILE  40           HA       ILE  40  -3.754 -13.772   5.417
  307    HB   ILE  40           HB       ILE  40  -3.697 -13.039   2.480
  308   1HG1  ILE  40          HG12      ILE  40  -2.739 -15.284   2.626
  309   2HG1  ILE  40          HG13      ILE  40  -1.531 -14.089   2.232
  310   1HG2  ILE  40          HG21      ILE  40  -1.625 -11.829   3.159
  311   2HG2  ILE  40          HG22      ILE  40  -3.083 -11.212   3.948
  312   3HG2  ILE  40          HG23      ILE  40  -1.952 -12.243   4.850
  313   1HD1  ILE  40          HD11      ILE  40  -1.113 -16.001   4.054
  314   2HD1  ILE  40          HD12      ILE  40  -0.377 -14.385   4.210
  315   3HD1  ILE  40          HD13      ILE  40  -1.813 -14.817   5.151
  316    H    VAL  41           H        VAL  41  -4.929 -12.367   6.449
  317    HA   VAL  41           HA       VAL  41  -7.400 -11.310   5.206
  318    HB   VAL  41           HB       VAL  41  -8.196 -11.250   7.631
  319   1HG1  VAL  41          HG11      VAL  41  -7.763 -13.932   6.232
  320   2HG1  VAL  41          HG12      VAL  41  -8.847 -13.683   7.618
  321   3HG1  VAL  41          HG13      VAL  41  -9.168 -12.850   6.110
  322   1HG2  VAL  41          HG21      VAL  41  -7.238 -12.804   9.224
  323   2HG2  VAL  41          HG22      VAL  41  -6.090 -13.441   8.038
  324   3HG2  VAL  41          HG23      VAL  41  -5.909 -11.776   8.670
  325    H    ALA  42           H        ALA  42  -8.049  -9.212   5.817
  326    HA   ALA  42           HA       ALA  42  -5.984  -7.300   5.651
  327   1HB   ALA  42          HB1       ALA  42  -8.327  -6.920   4.881
  328   2HB   ALA  42          HB2       ALA  42  -8.874  -6.993   6.560
  329   3HB   ALA  42          HB3       ALA  42  -7.823  -5.668   6.039
  330    H    ASP  43           H        ASP  43  -4.619  -6.750   7.181
  331    HA   ASP  43           HA       ASP  43  -4.813  -7.176   9.967
  332   1HB   ASP  43          HB2       ASP  43  -2.695  -6.642   8.931
  333   2HB   ASP  43          HB3       ASP  43  -3.287  -5.058   8.411
  334    H    ARG  44           H        ARG  44  -6.068  -4.421   8.035
  335    HA   ARG  44           HA       ARG  44  -7.784  -3.680  10.248
  336   1HB   ARG  44          HB2       ARG  44  -7.016  -1.404  10.522
  337   2HB   ARG  44          HB3       ARG  44  -5.682  -2.506  10.809
  338   1HG   ARG  44          HG2       ARG  44  -5.304  -1.949   8.131
  339   2HG   ARG  44          HG3       ARG  44  -6.055  -0.451   8.674
  340   1HD   ARG  44          HD2       ARG  44  -3.505  -1.759   9.687
  341   2HD   ARG  44          HD3       ARG  44  -3.646  -0.257   8.791
  342    HE   ARG  44           HE       ARG  44  -4.485   0.877  10.701
  343   1HH1  ARG  44          HH21      ARG  44  -3.318  -2.449  11.503
  344   2HH1  ARG  44          HH22      ARG  44  -3.131  -2.057  13.174
  345   1HH2  ARG  44          HH11      ARG  44  -4.251   1.304  12.882
  346   2HH2  ARG  44          HH12      ARG  44  -3.685   0.083  13.980
  347    H    SER  45           H        SER  45  -9.417  -2.085   9.574
  348    HA   SER  45           HA       SER  45 -10.356  -2.559   6.924
  349   1HB   SER  45          HB2       SER  45 -11.229  -0.453   8.951
  350   2HB   SER  45          HB3       SER  45 -12.216  -1.167   7.660
  351    HG   SER  45           HG       SER  45 -12.533  -2.061   9.818
  352    H    GLY  46           H        GLY  46 -10.717  -0.983   5.216
  353   1HA   GLY  46          HA2       GLY  46 -10.362   1.713   5.274
  354   2HA   GLY  46          HA3       GLY  46  -8.711   1.127   5.005
  355    H    ILE  47           H        ILE  47  -9.474   2.643   3.067
  356    HA   ILE  47           HA       ILE  47 -10.511   0.991   0.832
  357    HB   ILE  47           HB       ILE  47  -9.543   3.880   1.003
  358   1HG1  ILE  47          HG12      ILE  47 -11.756   3.557   2.043
  359   2HG1  ILE  47          HG13      ILE  47 -11.828   4.554   0.604
  360   1HG2  ILE  47          HG21      ILE  47  -8.975   3.127  -1.198
  361   2HG2  ILE  47          HG22      ILE  47 -10.538   2.312  -1.408
  362   3HG2  ILE  47          HG23      ILE  47 -10.445   4.088  -1.347
  363   1HD1  ILE  47          HD11      ILE  47 -13.733   3.020   0.714
  364   2HD1  ILE  47          HD12      ILE  47 -12.744   2.651  -0.703
  365   3HD1  ILE  47          HD13      ILE  47 -12.650   1.620   0.743
  366    H    VAL  48           H        VAL  48  -9.091  -0.048  -0.494
  367    HA   VAL  48           HA       VAL  48  -6.276  -0.204   0.141
  368    HB   VAL  48           HB       VAL  48  -7.898  -1.126  -2.265
  369   1HG1  VAL  48          HG11      VAL  48  -5.575  -0.997  -2.934
  370   2HG1  VAL  48          HG12      VAL  48  -5.029  -1.703  -1.415
  371   3HG1  VAL  48          HG13      VAL  48  -5.927  -2.691  -2.604
  372   1HG2  VAL  48          HG21      VAL  48  -6.958  -2.677   0.189
  373   2HG2  VAL  48          HG22      VAL  48  -8.633  -2.245  -0.197
  374   3HG2  VAL  48          HG23      VAL  48  -7.764  -3.375  -1.234
  375    H    LYS  49           H        LYS  49  -4.681   1.149  -0.556
  376    HA   LYS  49           HA       LYS  49  -5.305   3.222  -2.581
  377   1HB   LYS  49          HB2       LYS  49  -4.067   3.771  -0.431
  378   2HB   LYS  49          HB3       LYS  49  -2.741   2.742  -0.995
  379   1HG   LYS  49          HG2       LYS  49  -2.722   4.235  -3.116
  380   2HG   LYS  49          HG3       LYS  49  -3.791   5.325  -2.226
  381   1HD   LYS  49          HD2       LYS  49  -0.983   4.443  -1.440
  382   2HD   LYS  49          HD3       LYS  49  -1.436   6.020  -2.096
  383   1HE   LYS  49          HE2       LYS  49  -2.829   6.466  -0.078
  384   2HE   LYS  49          HE3       LYS  49  -2.369   4.888   0.584
  385   1HZ   LYS  49          HZ1       LYS  49  -0.970   6.594   1.506
  386   2HZ   LYS  49          HZ2       LYS  49  -0.046   5.633   0.542
  387   3HZ   LYS  49          HZ3       LYS  49  -0.510   7.124   0.032
  388    H    GLU  50           H        GLU  50  -3.112   0.359  -1.951
  389    HA   GLU  50           HA       GLU  50  -2.976  -0.104  -4.846
  390   1HB   GLU  50          HB2       GLU  50  -1.175   1.622  -4.237
  391   2HB   GLU  50          HB3       GLU  50  -0.429   0.382  -3.222
  392   1HG   GLU  50          HG2       GLU  50   0.036  -1.008  -5.134
  393   2HG   GLU  50          HG3       GLU  50  -1.007  -0.034  -6.179
  394    H    VAL  51           H        VAL  51  -2.214  -2.264  -5.285
  395    HA   VAL  51           HA       VAL  51  -1.836  -4.019  -2.905
  396    HB   VAL  51           HB       VAL  51  -2.663  -4.966  -5.672
  397   1HG1  VAL  51          HG11      VAL  51  -2.909  -6.230  -2.897
  398   2HG1  VAL  51          HG12      VAL  51  -3.321  -6.987  -4.453
  399   3HG1  VAL  51          HG13      VAL  51  -1.639  -6.610  -4.071
  400   1HG2  VAL  51          HG21      VAL  51  -4.515  -3.522  -4.903
  401   2HG2  VAL  51          HG22      VAL  51  -4.966  -5.226  -4.842
  402   3HG2  VAL  51          HG23      VAL  51  -4.535  -4.377  -3.343
  403    H    LYS  52           H        LYS  52   0.250  -4.666  -2.707
  404    HA   LYS  52           HA       LYS  52   2.189  -3.647  -4.652
  405   1HB   LYS  52          HB2       LYS  52   2.542  -5.113  -1.997
  406   2HB   LYS  52          HB3       LYS  52   3.808  -4.292  -2.897
  407   1HG   LYS  52          HG2       LYS  52   1.376  -2.889  -1.691
  408   2HG   LYS  52          HG3       LYS  52   2.969  -2.991  -0.950
  409   1HD   LYS  52          HD2       LYS  52   3.966  -1.766  -2.859
  410   2HD   LYS  52          HD3       LYS  52   2.352  -1.629  -3.607
  411   1HE   LYS  52          HE2       LYS  52   1.513  -0.420  -1.674
  412   2HE   LYS  52          HE3       LYS  52   3.067  -0.580  -0.838
  413   1HZ   LYS  52          HZ1       LYS  52   4.056   0.814  -2.537
  414   2HZ   LYS  52          HZ2       LYS  52   2.638   0.889  -3.378
  415   3HZ   LYS  52          HZ3       LYS  52   2.749   1.575  -1.882
  416    H    LYS  53           H        LYS  53   0.462  -6.457  -4.595
  417    HA   LYS  53           HA       LYS  53   2.477  -8.047  -6.042
  418   1HB   LYS  53          HB2       LYS  53   0.911  -9.009  -3.594
  419   2HB   LYS  53          HB3       LYS  53   1.806 -10.079  -4.680
  420   1HG   LYS  53          HG2       LYS  53   3.134  -7.870  -3.054
  421   2HG   LYS  53          HG3       LYS  53   2.964  -9.545  -2.538
  422   1HD   LYS  53          HD2       LYS  53   4.199 -10.324  -4.525
  423   2HD   LYS  53          HD3       LYS  53   4.419  -8.641  -5.072
  424   1HE   LYS  53          HE2       LYS  53   5.759  -8.102  -3.166
  425   2HE   LYS  53          HE3       LYS  53   5.295  -9.590  -2.342
  426   1HZ   LYS  53          HZ1       LYS  53   7.413  -9.915  -3.127
  427   2HZ   LYS  53          HZ2       LYS  53   6.482 -10.829  -4.095
  428   3HZ   LYS  53          HZ3       LYS  53   7.090  -9.399  -4.673
  429    H    LYS  54           H        LYS  54   1.121 -10.194  -6.716
  430    HA   LYS  54           HA       LYS  54  -1.670  -9.537  -7.343
  431   1HB   LYS  54          HB2       LYS  54  -1.388 -10.045  -9.727
  432   2HB   LYS  54          HB3       LYS  54  -0.451  -8.627  -9.269
  433   1HG   LYS  54          HG2       LYS  54   1.625  -9.987  -9.222
  434   2HG   LYS  54          HG3       LYS  54   0.694 -11.439  -9.635
  435   1HD   LYS  54          HD2       LYS  54   0.012 -10.394 -11.777
  436   2HD   LYS  54          HD3       LYS  54   0.949  -8.940 -11.363
  437   1HE   LYS  54          HE2       LYS  54   3.019 -10.315 -11.247
  438   2HE   LYS  54          HE3       LYS  54   2.087 -11.759 -11.661
  439   1HZ   LYS  54          HZ1       LYS  54   3.180 -10.828 -13.598
  440   2HZ   LYS  54          HZ2       LYS  54   1.568 -10.732 -13.798
  441   3HZ   LYS  54          HZ3       LYS  54   2.430  -9.395 -13.416
  442    H    GLU  55           H        GLU  55  -2.761 -11.483  -8.244
  443    HA   GLU  55           HA       GLU  55  -2.397 -13.877  -6.862
  444   1HB   GLU  55          HB2       GLU  55  -4.417 -13.182  -8.091
  445   2HB   GLU  55          HB3       GLU  55  -3.565 -13.331  -9.631
  446   1HG   GLU  55          HG2       GLU  55  -3.278 -15.784  -9.195
  447   2HG   GLU  55          HG3       GLU  55  -4.172 -15.586  -7.695
  448    H    GLY  56           H        GLY  56  -0.758 -15.236  -6.841
  449   1HA   GLY  56          HA2       GLY  56   0.567 -16.909  -7.720
  450   2HA   GLY  56          HA3       GLY  56   0.449 -16.206  -9.336
  451    H    ASP  57           H        ASP  57   1.307 -13.647  -7.222
  452    HA   ASP  57           HA       ASP  57   4.026 -13.632  -8.204
  453   1HB   ASP  57          HB2       ASP  57   2.494 -11.624  -7.418
  454   2HB   ASP  57          HB3       ASP  57   3.130 -11.999  -5.831
  455    H    PHE  58           H        PHE  58   5.920 -13.576  -6.729
  456    HA   PHE  58           HA       PHE  58   5.880 -15.797  -4.751
  457   1HB   PHE  58          HB2       PHE  58   7.727 -15.702  -6.396
  458   2HB   PHE  58          HB3       PHE  58   8.127 -14.070  -5.872
  459    HD1  PHE  58           HD1      PHE  58   7.965 -17.639  -4.743
  460    HD2  PHE  58           HD2      PHE  58   9.534 -13.696  -3.949
  461    HE1  PHE  58           HE1      PHE  58   9.473 -18.583  -3.014
  462    HE2  PHE  58           HE2      PHE  58  11.036 -14.647  -2.217
  463    HZ   PHE  58           HZ       PHE  58  11.021 -17.093  -1.759
  464    H    VAL  59           H        VAL  59   6.279 -15.367  -2.523
  465    HA   VAL  59           HA       VAL  59   6.515 -12.571  -1.630
  466    HB   VAL  59           HB       VAL  59   4.523 -13.098  -0.071
  467   1HG1  VAL  59          HG11      VAL  59   3.906 -12.471  -2.978
  468   2HG1  VAL  59          HG12      VAL  59   2.908 -12.079  -1.569
  469   3HG1  VAL  59          HG13      VAL  59   4.493 -11.324  -1.743
  470   1HG2  VAL  59          HG21      VAL  59   2.708 -14.433  -1.050
  471   2HG2  VAL  59          HG22      VAL  59   3.750 -14.955  -2.367
  472   3HG2  VAL  59          HG23      VAL  59   4.124 -15.444  -0.694
  473    H    ASN  60           H        ASN  60   6.874 -12.444   0.745
  474    HA   ASN  60           HA       ASN  60   7.756 -14.904   1.998
  475   1HB   ASN  60          HB2       ASN  60   9.637 -13.384   0.449
  476   2HB   ASN  60          HB3       ASN  60  10.003 -13.053   2.136
  477   1HD2  ASN  60          HD22      ASN  60   9.075 -15.837   0.015
  478   2HD2  ASN  60          HD21      ASN  60  10.201 -16.970   0.734
  479    H    GLU  61           H        GLU  61   8.821 -14.439   4.164
  480    HA   GLU  61           HA       GLU  61   7.040 -12.927   5.780
  481   1HB   GLU  61          HB2       GLU  61   8.482 -14.836   6.518
  482   2HB   GLU  61          HB3       GLU  61   9.913 -13.817   6.320
  483   1HG   GLU  61          HG2       GLU  61   8.917 -12.228   8.025
  484   2HG   GLU  61          HG3       GLU  61   7.600 -13.379   8.249
  485    H    GLY  62           H        GLY  62   6.802 -10.778   5.891
  486   1HA   GLY  62          HA2       GLY  62   7.430  -8.618   6.386
  487   2HA   GLY  62          HA3       GLY  62   9.124  -8.986   6.036
  488    H    ASP  63           H        ASP  63   7.355 -10.227   3.422
  489    HA   ASP  63           HA       ASP  63   8.157  -7.996   1.708
  490   1HB   ASP  63          HB2       ASP  63   8.388 -10.478   1.155
  491   2HB   ASP  63          HB3       ASP  63   6.630 -10.522   0.974
  492    H    VAL  64           H        VAL  64   6.713  -6.522   0.832
  493    HA   VAL  64           HA       VAL  64   4.347  -6.000   2.342
  494    HB   VAL  64           HB       VAL  64   4.064  -4.138   0.690
  495   1HG1  VAL  64          HG11      VAL  64   5.312  -3.858   2.782
  496   2HG1  VAL  64          HG12      VAL  64   6.813  -4.362   1.978
  497   3HG1  VAL  64          HG13      VAL  64   5.993  -2.866   1.483
  498   1HG2  VAL  64          HG21      VAL  64   5.757  -3.631  -0.946
  499   2HG2  VAL  64          HG22      VAL  64   6.756  -5.010  -0.458
  500   3HG2  VAL  64          HG23      VAL  64   5.206  -5.286  -1.270
  501    H    LEU  65           H        LEU  65   2.175  -5.689   1.556
  502    HA   LEU  65           HA       LEU  65   1.380  -7.403  -0.763
  503   1HB   LEU  65          HB2       LEU  65   1.034  -8.700   1.279
  504   2HB   LEU  65          HB3       LEU  65   0.235  -7.339   2.057
  505    HG   LEU  65           HG       LEU  65  -1.627  -7.484   0.383
  506   1HD1  LEU  65          HD11      LEU  65  -0.492  -8.595  -1.481
  507   2HD1  LEU  65          HD12      LEU  65  -0.210 -10.037  -0.480
  508   3HD1  LEU  65          HD13      LEU  65  -1.863  -9.563  -0.938
  509   1HD2  LEU  65          HD21      LEU  65  -2.673  -9.456   1.369
  510   2HD2  LEU  65          HD22      LEU  65  -1.098  -9.973   2.002
  511   3HD2  LEU  65          HD23      LEU  65  -1.846  -8.475   2.588
  512    H    LEU  66           H        LEU  66   0.451  -4.698   1.490
  513    HA   LEU  66           HA       LEU  66  -1.356  -3.598  -0.604
  514   1HB   LEU  66          HB2       LEU  66  -2.023  -4.772   2.093
  515   2HB   LEU  66          HB3       LEU  66  -2.876  -3.326   1.643
  516    HG   LEU  66           HG       LEU  66  -2.886  -5.751  -0.184
  517   1HD1  LEU  66          HD11      LEU  66  -5.035  -6.368   0.876
  518   2HD1  LEU  66          HD12      LEU  66  -3.706  -6.472   2.034
  519   3HD1  LEU  66          HD13      LEU  66  -4.818  -5.086   2.087
  520   1HD2  LEU  66          HD21      LEU  66  -4.697  -3.336   0.193
  521   2HD2  LEU  66          HD22      LEU  66  -3.614  -3.645  -1.179
  522   3HD2  LEU  66          HD23      LEU  66  -5.028  -4.670  -0.916
  523    H    GLU  67           H        GLU  67  -1.749  -1.430  -0.342
  524    HA   GLU  67           HA       GLU  67  -0.713  -0.029   2.058
  525   1HB   GLU  67          HB2       GLU  67   0.790   0.301   0.035
  526   2HB   GLU  67          HB3       GLU  67  -0.570   1.094  -0.779
  527   1HG   GLU  67          HG2       GLU  67  -0.672   2.714   1.145
  528   2HG   GLU  67          HG3       GLU  67   0.741   1.914   1.853
  529    H    LEU  68           H        LEU  68  -2.237   1.473   2.784
  530    HA   LEU  68           HA       LEU  68  -4.918   1.314   1.469
  531   1HB   LEU  68          HB2       LEU  68  -4.375   1.265   4.460
  532   2HB   LEU  68          HB3       LEU  68  -5.909   1.041   3.638
  533    HG   LEU  68           HG       LEU  68  -3.578  -0.912   3.627
  534   1HD1  LEU  68          HD11      LEU  68  -5.010  -2.301   5.039
  535   2HD1  LEU  68          HD12      LEU  68  -4.759  -0.723   5.796
  536   3HD1  LEU  68          HD13      LEU  68  -6.298  -1.078   4.988
  537   1HD2  LEU  68          HD21      LEU  68  -6.358  -1.203   2.409
  538   2HD2  LEU  68          HD22      LEU  68  -4.812  -1.128   1.527
  539   3HD2  LEU  68          HD23      LEU  68  -5.146  -2.499   2.569
  540    H    SER  69           H        SER  69  -6.056   3.275   1.481
  541    HA   SER  69           HA       SER  69  -4.665   5.705   2.016
  542   1HB   SER  69          HB2       SER  69  -7.667   5.274   1.810
  543   2HB   SER  69          HB3       SER  69  -6.751   6.748   1.435
  544    HG   SER  69           HG       SER  69  -7.252   5.607  -0.460
  545    H    ASN  70           H        ASN  70  -6.412   3.536   4.104
  546    HA   ASN  70           HA       ASN  70  -6.800   5.540   6.232
  547   1HB   ASN  70          HB2       ASN  70  -8.558   3.810   5.590
  548   2HB   ASN  70          HB3       ASN  70  -7.462   2.575   6.238
  549   1HD2  ASN  70          HD22      ASN  70  -8.571   1.897   8.094
  550   2HD2  ASN  70          HD21      ASN  70  -9.066   2.987   9.372
  551    H    SER  71           H        SER  71  -4.028   4.103   5.277
  552    HA   SER  71           HA       SER  71  -3.118   2.654   7.546
  553   1HB   SER  71          HB2       SER  71  -1.493   4.324   5.587
  554   2HB   SER  71          HB3       SER  71  -0.865   3.081   6.680
  555    HG   SER  71           HG       SER  71  -2.519   2.834   4.418
  556    H    THR  72           H        THR  72  -3.845   6.006   7.328
  557    HA   THR  72           HA       THR  72  -2.067   7.102   9.278
  558    HB   THR  72           HB       THR  72  -4.030   8.834   9.250
  559    HG1  THR  72           HG1      THR  72  -5.498   8.557   7.617
  560   1HG2  THR  72          HG21      THR  72  -2.618   8.138   6.627
  561   2HG2  THR  72          HG22      THR  72  -3.341   9.706   7.054
  562   3HG2  THR  72          HG23      THR  72  -1.935   9.110   7.948
  563    H    GLN  73           H        GLN  73  -4.486   4.704   9.705
  564    HA   GLN  73           HA       GLN  73  -4.837   5.433  12.562
  565   1HB   GLN  73          HB2       GLN  73  -6.987   4.502  10.612
  566   2HB   GLN  73          HB3       GLN  73  -7.197   4.619  12.354
  567   1HG   GLN  73          HG2       GLN  73  -6.584   7.022  10.572
  568   2HG   GLN  73          HG3       GLN  73  -8.199   6.493  11.005
  569   1HE2  GLN  73          HE22      GLN  73  -5.128   7.723  12.410
  570   2HE2  GLN  73          HE21      GLN  73  -5.871   8.400  13.850
  571    HN3  BTI 135           HN3      BTL  35  -4.548 -25.551  -1.636
  572    HN2  BTI 135           HN2      BTL  35  -3.115 -25.029  -5.350
  573    H4   BTI 135           H4       BTL  35  -1.639 -23.819  -3.662
  574    H2   BTI 135           H2       BTL  35   0.071 -25.416  -3.411
  575    H62  BTI 135           H62      BTL  35  -0.899 -25.911  -0.951
  576    H63  BTI 135           H63      BTL  35  -2.403 -26.853  -0.836
  577    H5   BTI 135           H5       BTL  35  -2.415 -24.207  -1.494
  578    H72  BTI 135           H72      BTL  35  -1.368 -26.730  -5.725
  579    H73  BTI 135           H73      BTL  35  -0.671 -25.102  -5.844
  580    H82  BTI 135           H82      BTL  35   1.545 -25.929  -5.305
  581    H83  BTI 135           H83      BTL  35   0.909 -27.558  -5.007
  582    H92  BTI 135           H92      BTL  35   0.316 -27.856  -7.320
  583    H93  BTI 135           H93      BTL  35   0.641 -26.160  -7.702
  584   H102  BTI 135          H102      BTL  35   2.429 -27.750  -8.481
  585   H103  BTI 135          H103      BTL  35   3.001 -26.436  -7.455
  Start of MODEL   18
    1   1H    THR   2           H1       THR   2   2.090  -1.280   4.714
    2   2H    THR   2           H2       THR   2   0.965  -1.453   3.524
    3   3H    THR   2           H3       THR   2   1.300   0.037   4.125
    4    HA   THR   2           HA       THR   2   0.474  -0.528   6.264
    5    HB   THR   2           HB       THR   2  -1.588  -1.063   4.116
    6    HG1  THR   2           HG1      THR   2  -0.949   1.457   5.190
    7   1HG2  THR   2          HG21      THR   2  -1.755  -0.091   6.987
    8   2HG2  THR   2          HG22      THR   2  -2.994   0.316   5.794
    9   3HG2  THR   2          HG23      THR   2  -2.675  -1.384   6.186
   10    H    VAL   3           H        VAL   3  -0.155  -3.312   3.929
   11    HA   VAL   3           HA       VAL   3  -0.028  -5.071   6.323
   12    HB   VAL   3           HB       VAL   3  -1.672  -5.894   3.951
   13   1HG1  VAL   3          HG11      VAL   3  -2.926  -7.150   5.646
   14   2HG1  VAL   3          HG12      VAL   3  -1.201  -7.527   5.703
   15   3HG1  VAL   3          HG13      VAL   3  -1.907  -6.442   6.921
   16   1HG2  VAL   3          HG21      VAL   3  -2.744  -3.728   4.446
   17   2HG2  VAL   3          HG22      VAL   3  -3.771  -5.061   4.953
   18   3HG2  VAL   3          HG23      VAL   3  -2.839  -4.159   6.173
   19    H    SER   4           H        SER   4   1.074  -7.054   5.904
   20    HA   SER   4           HA       SER   4   2.601  -7.298   3.382
   21   1HB   SER   4          HB2       SER   4   3.825  -7.247   6.159
   22   2HB   SER   4          HB3       SER   4   4.696  -7.453   4.638
   23    HG   SER   4           HG       SER   4   4.791  -5.293   5.478
   24    H    ILE   5           H        ILE   5   3.731  -9.372   3.332
   25    HA   ILE   5           HA       ILE   5   2.135 -11.563   4.452
   26    HB   ILE   5           HB       ILE   5   4.497 -11.398   2.518
   27   1HG1  ILE   5          HG12      ILE   5   2.580 -10.490   1.432
   28   2HG1  ILE   5          HG13      ILE   5   2.763 -12.118   0.828
   29   1HG2  ILE   5          HG21      ILE   5   4.662 -13.526   3.524
   30   2HG2  ILE   5          HG22      ILE   5   2.906 -13.807   3.439
   31   3HG2  ILE   5          HG23      ILE   5   3.899 -13.800   1.970
   32   1HD1  ILE   5          HD11      ILE   5   0.972 -12.875   2.457
   33   2HD1  ILE   5          HD12      ILE   5   0.706 -11.151   2.834
   34   3HD1  ILE   5          HD13      ILE   5   0.436 -11.762   1.192
   35    H    GLN   6           H        GLN   6   3.128 -13.293   5.603
   36    HA   GLN   6           HA       GLN   6   5.217 -12.397   7.525
   37   1HB   GLN   6          HB2       GLN   6   3.870 -13.204   9.304
   38   2HB   GLN   6          HB3       GLN   6   2.860 -12.147   8.333
   39   1HG   GLN   6          HG2       GLN   6   2.797 -15.211   8.310
   40   2HG   GLN   6          HG3       GLN   6   1.660 -14.159   9.131
   41   1HE2  GLN   6          HE22      GLN   6   0.000 -13.105   7.899
   42   2HE2  GLN   6          HE21      GLN   6  -0.283 -13.500   6.218
   43    H    MET   7           H        MET   7   4.580 -14.681   5.172
   44    HA   MET   7           HA       MET   7   6.368 -16.703   6.366
   45   1HB   MET   7          HB2       MET   7   4.149 -17.387   7.065
   46   2HB   MET   7          HB3       MET   7   3.486 -17.112   5.453
   47   1HG   MET   7          HG2       MET   7   3.794 -19.487   6.010
   48   2HG   MET   7          HG3       MET   7   4.626 -18.982   4.551
   49   1HE   MET   7          HE1       MET   7   5.095 -21.723   5.646
   50   2HE   MET   7          HE2       MET   7   6.029 -21.044   4.300
   51   3HE   MET   7          HE3       MET   7   6.870 -21.869   5.635
   52    H    ALA   8           H        ALA   8   7.251 -18.114   4.704
   53    HA   ALA   8           HA       ALA   8   7.715 -16.794   2.152
   54   1HB   ALA   8          HB1       ALA   8   8.629 -19.455   3.301
   55   2HB   ALA   8          HB2       ALA   8   9.200 -18.730   1.784
   56   3HB   ALA   8          HB3       ALA   8   9.528 -17.909   3.328
   57    H    GLY   9           H        GLY   9   6.770 -17.297   0.207
   58   1HA   GLY   9          HA2       GLY   9   5.463 -19.743  -0.398
   59   2HA   GLY   9          HA3       GLY   9   4.282 -18.659   0.337
   60    H    ASN  10           H        ASN  10   3.197 -18.888  -1.615
   61    HA   ASN  10           HA       ASN  10   4.018 -17.080  -3.829
   62   1HB   ASN  10          HB2       ASN  10   2.891 -19.915  -4.041
   63   2HB   ASN  10          HB3       ASN  10   3.074 -18.792  -5.390
   64   1HD2  ASN  10          HD21      ASN  10   4.746 -21.078  -3.285
   65   2HD2  ASN  10          HD22      ASN  10   6.343 -20.834  -3.965
   66    H    LEU  11           H        LEU  11   2.271 -15.791  -4.385
   67    HA   LEU  11           HA       LEU  11   0.114 -15.800  -2.463
   68   1HB   LEU  11          HB2       LEU  11   1.564 -13.836  -3.287
   69   2HB   LEU  11          HB3       LEU  11   0.597 -13.864  -4.745
   70    HG   LEU  11           HG       LEU  11  -1.460 -13.487  -3.323
   71   1HD1  LEU  11          HD11      LEU  11   0.622 -13.286  -1.090
   72   2HD1  LEU  11          HD12      LEU  11  -1.005 -12.613  -0.964
   73   3HD1  LEU  11          HD13      LEU  11  -0.804 -14.351  -1.146
   74   1HD2  LEU  11          HD21      LEU  11  -0.948 -11.117  -2.901
   75   2HD2  LEU  11          HD22      LEU  11   0.794 -11.467  -2.918
   76   3HD2  LEU  11          HD23      LEU  11  -0.174 -11.632  -4.401
   77    H    TRP  12           H        TRP  12  -0.612 -17.867  -3.299
   78    HA   TRP  12           HA       TRP  12  -1.614 -18.787  -5.573
   79   1HB   TRP  12          HB2       TRP  12  -1.594 -20.036  -3.564
   80   2HB   TRP  12          HB3       TRP  12  -2.692 -18.938  -2.758
   81    HD1  TRP  12           HD1      TRP  12  -4.255 -19.962  -5.997
   82    HE1  TRP  12           HE1      TRP  12  -6.028 -21.722  -5.588
   83    HE3  TRP  12           HE3      TRP  12  -2.995 -21.254  -1.217
   84    HZ2  TRP  12           HZ2      TRP  12  -6.996 -23.304  -3.359
   85    HZ3  TRP  12           HZ3      TRP  12  -4.360 -22.898   0.012
   86    HH2  TRP  12           HH2      TRP  12  -6.383 -23.898  -1.016
   87    H    LYS  13           H        LYS  13  -3.580 -16.521  -3.518
   88    HA   LYS  13           HA       LYS  13  -4.976 -15.681  -5.950
   89   1HB   LYS  13          HB2       LYS  13  -6.467 -16.912  -3.619
   90   2HB   LYS  13          HB3       LYS  13  -7.204 -15.758  -4.741
   91   1HG   LYS  13          HG2       LYS  13  -6.574 -17.222  -6.668
   92   2HG   LYS  13          HG3       LYS  13  -6.026 -18.441  -5.517
   93   1HD   LYS  13          HD2       LYS  13  -8.870 -17.386  -5.761
   94   2HD   LYS  13          HD3       LYS  13  -8.262 -18.933  -6.375
   95   1HE   LYS  13          HE2       LYS  13  -7.573 -19.537  -4.035
   96   2HE   LYS  13          HE3       LYS  13  -8.353 -18.057  -3.458
   97   1HZ   LYS  13          HZ1       LYS  13  -9.742 -20.291  -4.843
   98   2HZ   LYS  13          HZ2       LYS  13  -9.832 -19.971  -3.251
   99   3HZ   LYS  13          HZ3       LYS  13 -10.469 -18.924  -4.324
  100    H    VAL  14           H        VAL  14  -6.156 -13.713  -5.649
  101    HA   VAL  14           HA       VAL  14  -5.506 -12.109  -3.272
  102    HB   VAL  14           HB       VAL  14  -4.842 -11.348  -6.157
  103   1HG1  VAL  14          HG11      VAL  14  -4.736  -9.637  -3.630
  104   2HG1  VAL  14          HG12      VAL  14  -4.063  -9.191  -5.216
  105   3HG1  VAL  14          HG13      VAL  14  -5.801  -9.386  -5.043
  106   1HG2  VAL  14          HG21      VAL  14  -2.549 -10.978  -5.175
  107   2HG2  VAL  14          HG22      VAL  14  -3.134 -11.678  -3.655
  108   3HG2  VAL  14          HG23      VAL  14  -3.055 -12.669  -5.123
  109    H    HIS  15           H        HIS  15  -7.121 -10.640  -2.883
  110    HA   HIS  15           HA       HIS  15  -9.622 -10.865  -4.502
  111   1HB   HIS  15          HB2       HIS  15  -9.388 -11.107  -1.479
  112   2HB   HIS  15          HB3       HIS  15 -10.852 -11.295  -2.442
  113    HD1  HIS  15           HD1      HIS  15 -10.596 -13.518  -4.315
  114    HD2  HIS  15           HD2      HIS  15  -8.131 -13.308  -0.912
  115    HE1  HIS  15           HE1      HIS  15  -9.611 -15.846  -3.989
  116    H    VAL  16           H        VAL  16  -7.437  -8.695  -3.806
  117    HA   VAL  16           HA       VAL  16  -9.348  -6.497  -3.206
  118    HB   VAL  16           HB       VAL  16  -7.239  -5.328  -2.330
  119   1HG1  VAL  16          HG11      VAL  16  -9.093  -6.086  -0.916
  120   2HG1  VAL  16          HG12      VAL  16  -8.341  -7.685  -0.764
  121   3HG1  VAL  16          HG13      VAL  16  -7.531  -6.244  -0.094
  122   1HG2  VAL  16          HG21      VAL  16  -6.179  -8.166  -1.950
  123   2HG2  VAL  16          HG22      VAL  16  -5.573  -7.032  -3.171
  124   3HG2  VAL  16          HG23      VAL  16  -5.418  -6.656  -1.452
  125    H    LYS  17           H        LYS  17  -8.759  -4.449  -4.201
  126    HA   LYS  17           HA       LYS  17  -6.821  -4.473  -6.378
  127   1HB   LYS  17          HB2       LYS  17  -9.755  -3.691  -6.807
  128   2HB   LYS  17          HB3       LYS  17  -8.446  -3.438  -7.965
  129   1HG   LYS  17          HG2       LYS  17  -8.107  -5.932  -8.048
  130   2HG   LYS  17          HG3       LYS  17  -9.556  -6.119  -7.045
  131   1HD   LYS  17          HD2       LYS  17  -9.462  -4.800  -9.792
  132   2HD   LYS  17          HD3       LYS  17  -9.997  -6.454  -9.459
  133   1HE   LYS  17          HE2       LYS  17 -11.810  -5.568  -7.992
  134   2HE   LYS  17          HE3       LYS  17 -11.304  -3.917  -8.373
  135   1HZ   LYS  17          HZ1       LYS  17 -12.312  -5.883 -10.345
  136   2HZ   LYS  17          HZ2       LYS  17 -13.146  -4.616  -9.759
  137   3HZ   LYS  17          HZ3       LYS  17 -11.841  -4.359 -10.698
  138    H    ALA  18           H        ALA  18  -6.373  -2.130  -6.963
  139    HA   ALA  18           HA       ALA  18  -6.453  -0.237  -4.862
  140   1HB   ALA  18          HB1       ALA  18  -4.979  -0.016  -6.822
  141   2HB   ALA  18          HB2       ALA  18  -6.395   0.233  -7.874
  142   3HB   ALA  18          HB3       ALA  18  -5.993   1.426  -6.624
  143    H    GLY  19           H        GLY  19  -8.009   1.134  -4.098
  144   1HA   GLY  19          HA2       GLY  19  -9.903   2.399  -4.030
  145   2HA   GLY  19          HA3       GLY  19 -10.345   1.881  -5.661
  146    H    ASP  20           H        ASP  20  -9.790  -1.003  -4.007
  147    HA   ASP  20           HA       ASP  20 -12.624  -1.519  -3.526
  148   1HB   ASP  20          HB2       ASP  20 -10.996  -3.241  -4.342
  149   2HB   ASP  20          HB3       ASP  20 -10.162  -3.142  -2.785
  150    H    GLN  21           H        GLN  21 -13.200  -2.479  -1.241
  151    HA   GLN  21           HA       GLN  21 -11.940  -0.852   0.922
  152   1HB   GLN  21          HB2       GLN  21 -14.056   0.166   0.205
  153   2HB   GLN  21          HB3       GLN  21 -14.917  -1.342   0.472
  154   1HG   GLN  21          HG2       GLN  21 -13.350  -0.129   2.769
  155   2HG   GLN  21          HG3       GLN  21 -14.839   0.653   2.271
  156   1HE2  GLN  21          HE22      GLN  21 -13.666  -1.628   4.465
  157   2HE2  GLN  21          HE21      GLN  21 -15.197  -2.387   4.793
  158    H    ILE  22           H        ILE  22 -11.502  -1.954   2.745
  159    HA   ILE  22           HA       ILE  22 -12.370  -4.788   3.010
  160    HB   ILE  22           HB       ILE  22 -10.090  -5.409   3.598
  161   1HG1  ILE  22          HG12      ILE  22  -9.248  -2.569   2.855
  162   2HG1  ILE  22          HG13      ILE  22  -9.271  -3.252   4.485
  163   1HG2  ILE  22          HG21      ILE  22 -10.058  -4.032   0.883
  164   2HG2  ILE  22          HG22      ILE  22  -9.134  -5.450   1.403
  165   3HG2  ILE  22          HG23      ILE  22 -10.885  -5.567   1.227
  166   1HD1  ILE  22          HD11      ILE  22  -7.029  -3.340   3.769
  167   2HD1  ILE  22          HD12      ILE  22  -7.612  -5.001   3.658
  168   3HD1  ILE  22          HD13      ILE  22  -7.451  -4.020   2.185
  169    H    GLU  23           H        GLU  23 -11.771  -5.638   5.213
  170    HA   GLU  23           HA       GLU  23 -12.196  -3.632   7.316
  171   1HB   GLU  23          HB2       GLU  23 -14.420  -4.351   6.360
  172   2HB   GLU  23          HB3       GLU  23 -14.022  -6.020   6.800
  173   1HG   GLU  23          HG2       GLU  23 -13.833  -5.328   9.178
  174   2HG   GLU  23          HG3       GLU  23 -14.174  -3.656   8.713
  175    H    LYS  24           H        LYS  24 -11.285  -4.433   9.275
  176    HA   LYS  24           HA       LYS  24  -9.173  -6.214   9.064
  177   1HB   LYS  24          HB2       LYS  24  -9.462  -4.552  10.851
  178   2HB   LYS  24          HB3       LYS  24 -10.764  -5.511  11.567
  179   1HG   LYS  24          HG2       LYS  24  -9.200  -7.353  12.031
  180   2HG   LYS  24          HG3       LYS  24  -7.910  -6.516  11.152
  181   1HD   LYS  24          HD2       LYS  24  -8.006  -4.657  12.819
  182   2HD   LYS  24          HD3       LYS  24  -9.253  -5.554  13.718
  183   1HE   LYS  24          HE2       LYS  24  -7.663  -7.445  14.015
  184   2HE   LYS  24          HE3       LYS  24  -6.433  -6.554  13.104
  185   1HZ   LYS  24          HZ1       LYS  24  -6.448  -4.870  14.842
  186   2HZ   LYS  24          HZ2       LYS  24  -7.591  -5.681  15.688
  187   3HZ   LYS  24          HZ3       LYS  24  -6.112  -6.329  15.484
  188    H    GLY  25           H        GLY  25  -8.992  -8.358   8.878
  189   1HA   GLY  25          HA2       GLY  25  -9.418 -10.596   9.397
  190   2HA   GLY  25          HA3       GLY  25 -11.016 -10.185  10.013
  191    H    GLN  26           H        GLN  26 -10.878  -8.616   7.015
  192    HA   GLN  26           HA       GLN  26 -12.462 -10.704   5.723
  193   1HB   GLN  26          HB2       GLN  26 -12.763  -8.087   5.697
  194   2HB   GLN  26          HB3       GLN  26 -11.514  -8.109   4.453
  195   1HG   GLN  26          HG2       GLN  26 -14.249  -9.474   4.418
  196   2HG   GLN  26          HG3       GLN  26 -13.789  -8.032   3.516
  197   1HE2  GLN  26          HE22      GLN  26 -11.882  -8.347   1.906
  198   2HE2  GLN  26          HE21      GLN  26 -11.625  -9.943   1.237
  199    H    GLU  27           H        GLU  27 -11.701 -11.906   3.934
  200    HA   GLU  27           HA       GLU  27  -8.856 -12.495   3.865
  201   1HB   GLU  27          HB2       GLU  27 -10.630 -14.201   3.718
  202   2HB   GLU  27          HB3       GLU  27 -11.188 -13.510   2.193
  203   1HG   GLU  27          HG2       GLU  27  -9.027 -14.082   1.128
  204   2HG   GLU  27          HG3       GLU  27  -8.402 -14.659   2.675
  205    H    VAL  28           H        VAL  28  -7.420 -11.291   2.762
  206    HA   VAL  28           HA       VAL  28  -8.325  -9.787   0.365
  207    HB   VAL  28           HB       VAL  28  -6.332  -8.377   0.802
  208   1HG1  VAL  28          HG11      VAL  28  -8.646  -7.808   1.623
  209   2HG1  VAL  28          HG12      VAL  28  -8.234  -8.527   3.180
  210   3HG1  VAL  28          HG13      VAL  28  -7.340  -7.107   2.597
  211   1HG2  VAL  28          HG21      VAL  28  -6.166  -9.804   3.495
  212   2HG2  VAL  28          HG22      VAL  28  -4.968  -9.955   2.187
  213   3HG2  VAL  28          HG23      VAL  28  -5.229  -8.397   2.985
  214    H    ALA  29           H        ALA  29  -6.115 -12.375   1.444
  215    HA   ALA  29           HA       ALA  29  -5.723 -13.054  -1.338
  216   1HB   ALA  29          HB1       ALA  29  -3.915 -11.371  -1.086
  217   2HB   ALA  29          HB2       ALA  29  -3.284 -12.239   0.325
  218   3HB   ALA  29          HB3       ALA  29  -3.254 -12.994  -1.278
  219    H    ILE  30           H        ILE  30  -4.118 -15.041  -1.347
  220    HA   ILE  30           HA       ILE  30  -4.181 -16.557   1.202
  221    HB   ILE  30           HB       ILE  30  -4.978 -17.837  -1.448
  222   1HG1  ILE  30          HG12      ILE  30  -6.805 -17.121   0.892
  223   2HG1  ILE  30          HG13      ILE  30  -6.819 -16.386  -0.714
  224   1HG2  ILE  30          HG21      ILE  30  -3.819 -19.359   0.084
  225   2HG2  ILE  30          HG22      ILE  30  -4.896 -18.901   1.419
  226   3HG2  ILE  30          HG23      ILE  30  -5.495 -19.813   0.008
  227   1HD1  ILE  30          HD11      ILE  30  -8.596 -17.914  -0.762
  228   2HD1  ILE  30          HD12      ILE  30  -7.284 -18.713  -1.662
  229   3HD1  ILE  30          HD13      ILE  30  -7.657 -19.199   0.010
  230    H    LEU  31           H        LEU  31  -2.365 -17.810   1.461
  231    HA   LEU  31           HA       LEU  31  -0.225 -17.697  -0.609
  232   1HB   LEU  31          HB2       LEU  31  -0.257 -18.459   2.325
  233   2HB   LEU  31          HB3       LEU  31   1.145 -18.704   1.303
  234    HG   LEU  31           HG       LEU  31  -0.097 -16.007   1.937
  235   1HD1  LEU  31          HD11      LEU  31   2.508 -17.292   2.902
  236   2HD1  LEU  31          HD12      LEU  31   1.868 -15.705   3.376
  237   3HD1  LEU  31          HD13      LEU  31   1.026 -17.168   3.870
  238   1HD2  LEU  31          HD21      LEU  31   0.993 -15.906  -0.238
  239   2HD2  LEU  31          HD22      LEU  31   1.988 -15.091   0.972
  240   3HD2  LEU  31          HD23      LEU  31   2.432 -16.724   0.412
  241    H    GLU  32           H        GLU  32   0.219 -19.451  -1.629
  242    HA   GLU  32           HA       GLU  32  -0.197 -22.132  -0.448
  243   1HB   GLU  32          HB2       GLU  32  -0.451 -22.214  -2.842
  244   2HB   GLU  32          HB3       GLU  32   0.881 -21.102  -3.120
  245   1HG   GLU  32          HG2       GLU  32   1.557 -23.692  -1.732
  246   2HG   GLU  32          HG3       GLU  32   1.046 -23.786  -3.409
  247    H    SER  33           H        SER  33   1.481 -22.784   0.785
  248    HA   SER  33           HA       SER  33   4.080 -21.330   0.686
  249   1HB   SER  33          HB2       SER  33   2.178 -21.779   2.982
  250   2HB   SER  33          HB3       SER  33   3.925 -21.802   3.278
  251    HG   SER  33           HG       SER  33   4.094 -19.749   2.512
  252    H    MET  34           H        MET  34   4.582 -23.088  -0.711
  253    HA   MET  34           HA       MET  34   5.445 -25.098  -1.213
  254   1HB   MET  34          HB2       MET  34   6.386 -25.101   1.688
  255   2HB   MET  34          HB3       MET  34   7.010 -26.104   0.375
  256   1HG   MET  34          HG2       MET  34   8.561 -24.381   0.497
  257   2HG   MET  34          HG3       MET  34   7.547 -23.942  -0.872
  258   1HE   MET  34          HE1       MET  34   9.353 -21.729  -0.125
  259   2HE   MET  34          HE2       MET  34   7.932 -21.468  -1.167
  260   3HE   MET  34          HE3       MET  34   8.272 -20.347   0.165
  261    H    LYS  35           H        BTL  35   2.859 -25.152  -0.917
  262    HA   LYS  35           HA       BTL  35   1.216 -26.526  -1.181
  263   1HB   LYS  35          HB2       BTL  35   2.688 -28.837   0.124
  264   2HB   LYS  35          HB3       BTL  35   1.229 -28.891  -0.862
  265   1HG   LYS  35          HG2       BTL  35   2.597 -27.849  -2.754
  266   2HG   LYS  35          HG3       BTL  35   4.039 -28.199  -1.786
  267   1HD   LYS  35          HD2       BTL  35   3.314 -30.621  -1.698
  268   2HD   LYS  35          HD3       BTL  35   2.005 -30.221  -2.820
  269   1HE   LYS  35          HE2       BTL  35   5.000 -29.992  -3.342
  270   2HE   LYS  35          HE3       BTL  35   3.896 -31.184  -4.046
  271   1HZ   LYS  35          HZ1       BTL  35   4.136 -28.316  -4.699
  272    H    MET  36           H        MET  36   2.051 -25.181   1.654
  273    HA   MET  36           HA       MET  36  -0.265 -26.273   3.163
  274   1HB   MET  36          HB2       MET  36   1.764 -24.111   3.858
  275   2HB   MET  36          HB3       MET  36   0.480 -24.710   4.909
  276   1HG   MET  36          HG2       MET  36   1.459 -26.977   4.845
  277   2HG   MET  36          HG3       MET  36   2.774 -26.397   3.823
  278   1HE   MET  36          HE1       MET  36   4.948 -24.226   6.166
  279   2HE   MET  36          HE2       MET  36   4.784 -25.004   4.577
  280   3HE   MET  36          HE3       MET  36   3.718 -23.652   5.020
  281    H    GLU  37           H        GLU  37  -2.150 -25.112   3.358
  282    HA   GLU  37           HA       GLU  37  -2.618 -22.698   1.720
  283   1HB   GLU  37          HB2       GLU  37  -4.343 -24.440   1.783
  284   2HB   GLU  37          HB3       GLU  37  -4.318 -24.471   3.544
  285   1HG   GLU  37          HG2       GLU  37  -5.223 -22.151   3.607
  286   2HG   GLU  37          HG3       GLU  37  -5.272 -22.125   1.852
  287    H    ILE  38           H        ILE  38  -2.357 -20.634   2.642
  288    HA   ILE  38           HA       ILE  38  -2.989 -20.388   5.535
  289    HB   ILE  38           HB       ILE  38  -0.660 -18.930   4.297
  290   1HG1  ILE  38          HG12      ILE  38  -0.502 -21.363   6.116
  291   2HG1  ILE  38          HG13      ILE  38  -0.061 -21.322   4.401
  292   1HG2  ILE  38          HG21      ILE  38  -0.184 -18.227   6.582
  293   2HG2  ILE  38          HG22      ILE  38  -1.848 -17.827   6.199
  294   3HG2  ILE  38          HG23      ILE  38  -1.500 -19.249   7.205
  295   1HD1  ILE  38          HD11      ILE  38   1.366 -19.891   6.650
  296   2HD1  ILE  38          HD12      ILE  38   1.956 -21.199   5.612
  297   3HD1  ILE  38          HD13      ILE  38   1.664 -19.591   4.918
  298    HA   PRO  39           HA       PRO  39  -5.612 -17.303   3.331
  299   1HB   PRO  39          HB2       PRO  39  -6.453 -16.849   6.191
  300   2HB   PRO  39          HB3       PRO  39  -7.470 -17.019   4.733
  301   1HG   PRO  39          HG2       PRO  39  -7.241 -19.071   6.510
  302   2HG   PRO  39          HG3       PRO  39  -7.259 -19.389   4.745
  303   1HD   PRO  39          HD2       PRO  39  -4.864 -19.231   6.595
  304   2HD   PRO  39          HD3       PRO  39  -5.225 -20.428   5.311
  305    H    ILE  40           H        ILE  40  -5.368 -15.013   3.222
  306    HA   ILE  40           HA       ILE  40  -3.685 -13.711   5.299
  307    HB   ILE  40           HB       ILE  40  -3.703 -13.031   2.347
  308   1HG1  ILE  40          HG12      ILE  40  -2.658 -15.212   2.508
  309   2HG1  ILE  40          HG13      ILE  40  -1.471 -13.993   2.121
  310   1HG2  ILE  40          HG21      ILE  40  -1.858 -12.103   4.587
  311   2HG2  ILE  40          HG22      ILE  40  -1.746 -11.651   2.872
  312   3HG2  ILE  40          HG23      ILE  40  -3.145 -11.150   3.821
  313   1HD1  ILE  40          HD11      ILE  40  -0.310 -14.299   4.082
  314   2HD1  ILE  40          HD12      ILE  40  -1.747 -14.678   5.042
  315   3HD1  ILE  40          HD13      ILE  40  -1.079 -15.904   3.973
  316    H    VAL  41           H        VAL  41  -4.897 -12.357   6.359
  317    HA   VAL  41           HA       VAL  41  -7.371 -11.285   5.125
  318    HB   VAL  41           HB       VAL  41  -8.170 -11.253   7.548
  319   1HG1  VAL  41          HG11      VAL  41  -8.834 -13.679   7.502
  320   2HG1  VAL  41          HG12      VAL  41  -9.142 -12.826   6.000
  321   3HG1  VAL  41          HG13      VAL  41  -7.742 -13.919   6.120
  322   1HG2  VAL  41          HG21      VAL  41  -6.060 -13.435   7.948
  323   2HG2  VAL  41          HG22      VAL  41  -5.902 -11.776   8.599
  324   3HG2  VAL  41          HG23      VAL  41  -7.227 -12.823   9.129
  325    H    ALA  42           H        ALA  42  -7.985  -9.167   5.738
  326    HA   ALA  42           HA       ALA  42  -5.874  -7.294   5.705
  327   1HB   ALA  42          HB1       ALA  42  -7.660  -5.636   6.030
  328   2HB   ALA  42          HB2       ALA  42  -8.212  -6.881   4.892
  329   3HB   ALA  42          HB3       ALA  42  -8.768  -6.906   6.571
  330    H    ASP  43           H        ASP  43  -4.529  -6.794   7.341
  331    HA   ASP  43           HA       ASP  43  -5.037  -7.428  10.102
  332   1HB   ASP  43          HB2       ASP  43  -2.782  -7.315   9.108
  333   2HB   ASP  43          HB3       ASP  43  -2.979  -5.574   8.852
  334    H    ARG  44           H        ARG  44  -5.942  -4.700   8.145
  335    HA   ARG  44           HA       ARG  44  -7.297  -3.433  10.381
  336   1HB   ARG  44          HB2       ARG  44  -6.383  -1.149   9.703
  337   2HB   ARG  44          HB3       ARG  44  -5.342  -2.158  10.682
  338   1HG   ARG  44          HG2       ARG  44  -4.877  -2.491   7.755
  339   2HG   ARG  44          HG3       ARG  44  -4.624  -0.851   8.320
  340   1HD   ARG  44          HD2       ARG  44  -3.383  -3.220   9.758
  341   2HD   ARG  44          HD3       ARG  44  -2.608  -2.476   8.362
  342    HE   ARG  44           HE       ARG  44  -2.588  -0.328   9.565
  343   1HH1  ARG  44          HH21      ARG  44  -2.575  -3.301  11.582
  344   2HH1  ARG  44          HH22      ARG  44  -2.173  -2.417  13.010
  345   1HH2  ARG  44          HH11      ARG  44  -1.823   0.682  11.317
  346   2HH2  ARG  44          HH12      ARG  44  -1.660  -0.105  12.864
  347    H    SER  45           H        SER  45  -9.051  -2.164   9.639
  348    HA   SER  45           HA       SER  45 -10.110  -2.725   7.037
  349   1HB   SER  45          HB2       SER  45 -10.880  -0.584   9.072
  350   2HB   SER  45          HB3       SER  45 -11.924  -1.279   7.816
  351    HG   SER  45           HG       SER  45 -12.172  -2.146  10.002
  352    H    GLY  46           H        GLY  46 -10.653  -1.062   5.382
  353   1HA   GLY  46          HA2       GLY  46 -10.225   1.586   5.436
  354   2HA   GLY  46          HA3       GLY  46  -8.604   1.006   5.030
  355    H    ILE  47           H        ILE  47  -9.308   2.504   3.162
  356    HA   ILE  47           HA       ILE  47 -10.596   0.967   0.962
  357    HB   ILE  47           HB       ILE  47  -9.466   3.803   1.014
  358   1HG1  ILE  47          HG12      ILE  47 -11.436   3.819   2.396
  359   2HG1  ILE  47          HG13      ILE  47 -11.770   4.628   0.873
  360   1HG2  ILE  47          HG21      ILE  47 -10.678   4.069  -1.160
  361   2HG2  ILE  47          HG22      ILE  47  -9.358   2.904  -1.233
  362   3HG2  ILE  47          HG23      ILE  47 -11.034   2.329  -1.144
  363   1HD1  ILE  47          HD11      ILE  47 -13.004   2.627   0.066
  364   2HD1  ILE  47          HD12      ILE  47 -12.636   1.807   1.603
  365   3HD1  ILE  47          HD13      ILE  47 -13.666   3.246   1.588
  366    H    VAL  48           H        VAL  48  -9.212   0.065  -0.592
  367    HA   VAL  48           HA       VAL  48  -6.401  -0.198   0.086
  368    HB   VAL  48           HB       VAL  48  -8.018  -1.063  -2.337
  369   1HG1  VAL  48          HG11      VAL  48  -6.051  -2.663  -2.656
  370   2HG1  VAL  48          HG12      VAL  48  -5.695  -0.972  -3.000
  371   3HG1  VAL  48          HG13      VAL  48  -5.156  -1.662  -1.476
  372   1HG2  VAL  48          HG21      VAL  48  -8.781  -2.189  -0.276
  373   2HG2  VAL  48          HG22      VAL  48  -7.927  -3.321  -1.323
  374   3HG2  VAL  48          HG23      VAL  48  -7.110  -2.652   0.107
  375    H    LYS  49           H        LYS  49  -4.747   1.090  -0.592
  376    HA   LYS  49           HA       LYS  49  -5.269   3.236  -2.559
  377   1HB   LYS  49          HB2       LYS  49  -3.869   3.537  -0.391
  378   2HB   LYS  49          HB3       LYS  49  -2.642   2.536  -1.161
  379   1HG   LYS  49          HG2       LYS  49  -2.651   4.137  -3.123
  380   2HG   LYS  49          HG3       LYS  49  -3.747   5.176  -2.214
  381   1HD   LYS  49          HD2       LYS  49  -0.904   4.371  -1.484
  382   2HD   LYS  49          HD3       LYS  49  -1.425   5.955  -2.032
  383   1HE   LYS  49          HE2       LYS  49  -2.147   4.630   0.628
  384   2HE   LYS  49          HE3       LYS  49  -1.004   5.952   0.388
  385   1HZ   LYS  49          HZ1       LYS  49  -2.900   7.308  -0.390
  386   2HZ   LYS  49          HZ2       LYS  49  -3.934   6.076  -0.022
  387   3HZ   LYS  49          HZ3       LYS  49  -3.072   6.811   1.162
  388    H    GLU  50           H        GLU  50  -3.143   0.314  -1.991
  389    HA   GLU  50           HA       GLU  50  -3.103  -0.212  -4.871
  390   1HB   GLU  50          HB2       GLU  50  -1.335   1.588  -4.392
  391   2HB   GLU  50          HB3       GLU  50  -0.509   0.408  -3.367
  392   1HG   GLU  50          HG2       GLU  50  -0.113  -1.047  -5.255
  393   2HG   GLU  50          HG3       GLU  50  -1.203  -0.105  -6.283
  394    H    VAL  51           H        VAL  51  -2.437  -2.373  -5.258
  395    HA   VAL  51           HA       VAL  51  -1.960  -4.060  -2.849
  396    HB   VAL  51           HB       VAL  51  -2.738  -5.070  -5.608
  397   1HG1  VAL  51          HG11      VAL  51  -3.425  -7.047  -4.353
  398   2HG1  VAL  51          HG12      VAL  51  -1.757  -6.658  -3.917
  399   3HG1  VAL  51          HG13      VAL  51  -3.071  -6.245  -2.804
  400   1HG2  VAL  51          HG21      VAL  51  -5.059  -5.300  -4.816
  401   2HG2  VAL  51          HG22      VAL  51  -4.659  -4.396  -3.340
  402   3HG2  VAL  51          HG23      VAL  51  -4.607  -3.603  -4.932
  403    H    LYS  52           H        LYS  52   0.142  -4.653  -2.619
  404    HA   LYS  52           HA       LYS  52   2.058  -3.626  -4.583
  405   1HB   LYS  52          HB2       LYS  52   2.441  -4.995  -1.882
  406   2HB   LYS  52          HB3       LYS  52   3.695  -4.186  -2.811
  407   1HG   LYS  52          HG2       LYS  52   1.237  -2.796  -1.647
  408   2HG   LYS  52          HG3       LYS  52   2.846  -2.807  -0.932
  409   1HD   LYS  52          HD2       LYS  52   3.770  -1.637  -2.906
  410   2HD   LYS  52          HD3       LYS  52   2.151  -1.609  -3.651
  411   1HE   LYS  52          HE2       LYS  52   1.263  -0.320  -1.790
  412   2HE   LYS  52          HE3       LYS  52   2.826  -0.362  -0.957
  413   1HZ   LYS  52          HZ1       LYS  52   3.751   0.994  -2.689
  414   2HZ   LYS  52          HZ2       LYS  52   2.389   0.891  -3.610
  415   3HZ   LYS  52          HZ3       LYS  52   2.351   1.707  -2.185
  416    H    LYS  53           H        LYS  53   0.405  -6.458  -4.525
  417    HA   LYS  53           HA       LYS  53   2.427  -7.962  -6.025
  418   1HB   LYS  53          HB2       LYS  53   0.947  -9.029  -3.565
  419   2HB   LYS  53          HB3       LYS  53   1.830 -10.049  -4.704
  420   1HG   LYS  53          HG2       LYS  53   3.168  -7.860  -3.059
  421   2HG   LYS  53          HG3       LYS  53   3.017  -9.537  -2.557
  422   1HD   LYS  53          HD2       LYS  53   4.246 -10.307  -4.531
  423   2HD   LYS  53          HD3       LYS  53   4.421  -8.635  -5.123
  424   1HE   LYS  53          HE2       LYS  53   5.800  -8.026  -3.259
  425   2HE   LYS  53          HE3       LYS  53   5.343  -9.470  -2.364
  426   1HZ   LYS  53          HZ1       LYS  53   7.136  -9.378  -4.702
  427   2HZ   LYS  53          HZ2       LYS  53   7.441  -9.864  -3.141
  428   3HZ   LYS  53          HZ3       LYS  53   6.511 -10.787  -4.099
  429    H    LYS  54           H        LYS  54   1.100 -10.073  -6.800
  430    HA   LYS  54           HA       LYS  54  -1.749  -9.577  -7.100
  431   1HB   LYS  54          HB2       LYS  54  -1.592  -9.950  -9.640
  432   2HB   LYS  54          HB3       LYS  54  -1.259  -8.363  -8.991
  433   1HG   LYS  54          HG2       LYS  54   0.243  -8.848 -10.793
  434   2HG   LYS  54          HG3       LYS  54   1.137  -8.643  -9.292
  435   1HD   LYS  54          HD2       LYS  54   1.446 -11.097  -9.126
  436   2HD   LYS  54          HD3       LYS  54   0.423 -11.334 -10.542
  437   1HE   LYS  54          HE2       LYS  54   2.787 -11.546 -11.125
  438   2HE   LYS  54          HE3       LYS  54   2.040 -10.190 -11.972
  439   1HZ   LYS  54          HZ1       LYS  54   3.106  -8.685 -10.429
  440   2HZ   LYS  54          HZ2       LYS  54   3.726  -9.911  -9.528
  441   3HZ   LYS  54          HZ3       LYS  54   4.238  -9.665 -11.063
  442    H    GLU  55           H        GLU  55  -2.733 -11.478  -8.301
  443    HA   GLU  55           HA       GLU  55  -2.259 -13.859  -6.958
  444   1HB   GLU  55          HB2       GLU  55  -4.295 -13.217  -8.212
  445   2HB   GLU  55          HB3       GLU  55  -3.427 -13.398  -9.743
  446   1HG   GLU  55          HG2       GLU  55  -3.079 -15.837  -9.173
  447   2HG   GLU  55          HG3       GLU  55  -4.048 -15.575  -7.728
  448    H    GLY  56           H        GLY  56  -0.649 -15.251  -6.962
  449   1HA   GLY  56          HA2       GLY  56   0.692 -16.893  -7.873
  450   2HA   GLY  56          HA3       GLY  56   0.627 -16.119  -9.460
  451    H    ASP  57           H        ASP  57   1.429 -13.657  -7.224
  452    HA   ASP  57           HA       ASP  57   4.160 -13.578  -8.153
  453   1HB   ASP  57          HB2       ASP  57   2.512 -11.675  -7.270
  454   2HB   ASP  57          HB3       ASP  57   3.243 -12.049  -5.729
  455    H    PHE  58           H        PHE  58   6.033 -13.480  -6.576
  456    HA   PHE  58           HA       PHE  58   5.949 -15.767  -4.664
  457   1HB   PHE  58          HB2       PHE  58   7.787 -15.699  -6.332
  458   2HB   PHE  58          HB3       PHE  58   8.254 -14.105  -5.758
  459    HD1  PHE  58           HD1      PHE  58   9.673 -13.847  -3.824
  460    HD2  PHE  58           HD2      PHE  58   7.931 -17.692  -4.722
  461    HE1  PHE  58           HE1      PHE  58  11.107 -14.905  -2.098
  462    HE2  PHE  58           HE2      PHE  58   9.368 -18.743  -2.994
  463    HZ   PHE  58           HZ       PHE  58  10.969 -17.355  -1.689
  464    H    VAL  59           H        VAL  59   6.338 -15.346  -2.434
  465    HA   VAL  59           HA       VAL  59   6.618 -12.546  -1.551
  466    HB   VAL  59           HB       VAL  59   4.584 -13.003  -0.044
  467   1HG1  VAL  59          HG11      VAL  59   3.017 -12.004  -1.597
  468   2HG1  VAL  59          HG12      VAL  59   4.619 -11.288  -1.792
  469   3HG1  VAL  59          HG13      VAL  59   4.017 -12.473  -2.981
  470   1HG2  VAL  59          HG21      VAL  59   2.775 -14.348  -1.027
  471   2HG2  VAL  59          HG22      VAL  59   3.836 -14.921  -2.305
  472   3HG2  VAL  59          HG23      VAL  59   4.173 -15.366  -0.614
  473    H    ASN  60           H        ASN  60   6.938 -12.403   0.823
  474    HA   ASN  60           HA       ASN  60   7.796 -14.853   2.120
  475   1HB   ASN  60          HB2       ASN  60   9.692 -13.314   0.576
  476   2HB   ASN  60          HB3       ASN  60  10.054 -13.042   2.274
  477   1HD2  ASN  60          HD22      ASN  60   9.085 -15.788   0.095
  478   2HD2  ASN  60          HD21      ASN  60  10.230 -16.923   0.775
  479    H    GLU  61           H        GLU  61   8.804 -14.367   4.301
  480    HA   GLU  61           HA       GLU  61   7.009 -12.797   5.833
  481   1HB   GLU  61          HB2       GLU  61   8.307 -14.697   6.667
  482   2HB   GLU  61          HB3       GLU  61   9.814 -13.812   6.484
  483   1HG   GLU  61          HG2       GLU  61   7.538 -12.813   8.250
  484   2HG   GLU  61          HG3       GLU  61   8.700 -14.001   8.827
  485    H    GLY  62           H        GLY  62   6.778 -10.650   5.835
  486   1HA   GLY  62          HA2       GLY  62   7.453  -8.500   6.398
  487   2HA   GLY  62          HA3       GLY  62   9.132  -8.877   5.988
  488    H    ASP  63           H        ASP  63   7.356 -10.127   3.426
  489    HA   ASP  63           HA       ASP  63   8.121  -7.906   1.697
  490   1HB   ASP  63          HB2       ASP  63   8.349 -10.390   1.172
  491   2HB   ASP  63          HB3       ASP  63   6.593 -10.439   0.988
  492    H    VAL  64           H        VAL  64   6.707  -6.414   0.846
  493    HA   VAL  64           HA       VAL  64   4.345  -5.842   2.318
  494    HB   VAL  64           HB       VAL  64   4.069  -4.032   0.590
  495   1HG1  VAL  64          HG11      VAL  64   5.988  -2.740   1.368
  496   2HG1  VAL  64          HG12      VAL  64   5.290  -3.692   2.688
  497   3HG1  VAL  64          HG13      VAL  64   6.801  -4.224   1.918
  498   1HG2  VAL  64          HG21      VAL  64   6.768  -4.953  -0.500
  499   2HG2  VAL  64          HG22      VAL  64   5.223  -5.234  -1.322
  500   3HG2  VAL  64          HG23      VAL  64   5.788  -3.579  -1.035
  501    H    LEU  65           H        LEU  65   2.164  -5.597   1.600
  502    HA   LEU  65           HA       LEU  65   1.363  -7.370  -0.660
  503   1HB   LEU  65          HB2       LEU  65   1.357  -8.511   1.570
  504   2HB   LEU  65          HB3       LEU  65   0.181  -7.358   2.155
  505    HG   LEU  65           HG       LEU  65  -0.669  -9.607   1.544
  506   1HD1  LEU  65          HD11      LEU  65  -2.052  -7.559  -0.172
  507   2HD1  LEU  65          HD12      LEU  65  -2.740  -8.952   0.662
  508   3HD1  LEU  65          HD13      LEU  65  -2.154  -7.577   1.613
  509   1HD2  LEU  65          HD21      LEU  65  -0.306  -8.770  -1.360
  510   2HD2  LEU  65          HD22      LEU  65   0.707  -9.962  -0.511
  511   3HD2  LEU  65          HD23      LEU  65  -1.025 -10.265  -0.739
  512    H    LEU  66           H        LEU  66   0.351  -4.707   1.607
  513    HA   LEU  66           HA       LEU  66  -1.474  -3.653  -0.474
  514   1HB   LEU  66          HB2       LEU  66  -2.172  -4.930   2.140
  515   2HB   LEU  66          HB3       LEU  66  -2.942  -3.389   1.862
  516    HG   LEU  66           HG       LEU  66  -3.156  -5.703  -0.093
  517   1HD1  LEU  66          HD11      LEU  66  -4.115  -6.315   2.118
  518   2HD1  LEU  66          HD12      LEU  66  -5.061  -4.818   2.125
  519   3HD1  LEU  66          HD13      LEU  66  -5.386  -6.078   0.916
  520   1HD2  LEU  66          HD21      LEU  66  -3.632  -3.549  -1.115
  521   2HD2  LEU  66          HD22      LEU  66  -5.149  -4.418  -0.867
  522   3HD2  LEU  66          HD23      LEU  66  -4.695  -3.110   0.237
  523    H    GLU  67           H        GLU  67  -1.837  -1.503  -0.278
  524    HA   GLU  67           HA       GLU  67  -0.855  -0.022   2.092
  525   1HB   GLU  67          HB2       GLU  67   0.737   0.232   0.208
  526   2HB   GLU  67          HB3       GLU  67  -0.568   0.819  -0.829
  527   1HG   GLU  67          HG2       GLU  67  -0.851   2.790   0.565
  528   2HG   GLU  67          HG3       GLU  67   0.223   2.128   1.804
  529    H    LEU  68           H        LEU  68  -2.363   1.499   2.742
  530    HA   LEU  68           HA       LEU  68  -5.010   1.359   1.365
  531   1HB   LEU  68          HB2       LEU  68  -4.491   1.409   4.342
  532   2HB   LEU  68          HB3       LEU  68  -6.040   1.221   3.545
  533    HG   LEU  68           HG       LEU  68  -3.788  -0.818   3.580
  534   1HD1  LEU  68          HD11      LEU  68  -5.097  -0.611   5.710
  535   2HD1  LEU  68          HD12      LEU  68  -6.563  -1.006   4.812
  536   3HD1  LEU  68          HD13      LEU  68  -5.238  -2.193   4.939
  537   1HD2  LEU  68          HD21      LEU  68  -5.349  -2.373   2.498
  538   2HD2  LEU  68          HD22      LEU  68  -6.528  -1.054   2.286
  539   3HD2  LEU  68          HD23      LEU  68  -4.951  -1.025   1.455
  540    H    SER  69           H        SER  69  -6.466   3.142   2.057
  541    HA   SER  69           HA       SER  69  -4.981   5.715   2.296
  542   1HB   SER  69          HB2       SER  69  -7.461   4.958   0.731
  543   2HB   SER  69          HB3       SER  69  -6.846   6.614   0.891
  544    HG   SER  69           HG       SER  69  -6.136   5.427  -1.004
  545    H    ASN  70           H        ASN  70  -7.103   3.821   4.110
  546    HA   ASN  70           HA       ASN  70  -8.077   6.224   5.583
  547   1HB   ASN  70          HB2       ASN  70  -9.930   5.266   4.196
  548   2HB   ASN  70          HB3       ASN  70  -9.702   3.722   5.021
  549   1HD2  ASN  70          HD22      ASN  70 -11.804   3.666   6.028
  550   2HD2  ASN  70          HD21      ASN  70 -12.260   4.819   7.248
  551    H    SER  71           H        SER  71  -5.681   4.710   5.939
  552    HA   SER  71           HA       SER  71  -5.926   3.549   8.594
  553   1HB   SER  71          HB2       SER  71  -4.539   1.830   6.587
  554   2HB   SER  71          HB3       SER  71  -5.459   1.352   8.015
  555    HG   SER  71           HG       SER  71  -7.170   1.104   6.805
  556    H    THR  72           H        THR  72  -3.523   2.577   8.997
  557    HA   THR  72           HA       THR  72  -1.751   4.786   8.961
  558    HB   THR  72           HB       THR  72  -0.139   2.947   9.746
  559    HG1  THR  72           HG1      THR  72  -1.177   1.215   8.763
  560   1HG2  THR  72          HG21      THR  72  -1.529   4.358  11.277
  561   2HG2  THR  72          HG22      THR  72  -2.837   3.166  11.170
  562   3HG2  THR  72          HG23      THR  72  -1.275   2.724  11.907
  563    H    GLN  73           H        GLN  73  -0.837   5.585   7.261
  564    HA   GLN  73           HA       GLN  73   0.251   3.899   5.081
  565   1HB   GLN  73          HB2       GLN  73  -0.857   5.282   3.427
  566   2HB   GLN  73          HB3       GLN  73  -2.060   4.625   4.537
  567   1HG   GLN  73          HG2       GLN  73  -1.860   6.902   5.800
  568   2HG   GLN  73          HG3       GLN  73  -1.019   7.474   4.361
  569   1HE2  GLN  73          HE22      GLN  73  -4.075   6.493   5.746
  570   2HE2  GLN  73          HE21      GLN  73  -5.089   7.124   4.437
  571    HN3  BTI 135           HN3      BTL  35  -4.702 -25.572  -1.834
  572    HN2  BTI 135           HN2      BTL  35  -2.922 -25.342  -5.429
  573    H4   BTI 135           H4       BTL  35  -1.557 -24.050  -3.713
  574    H2   BTI 135           H2       BTL  35   0.053 -25.686  -3.157
  575    H62  BTI 135           H62      BTL  35  -1.143 -25.869  -0.797
  576    H63  BTI 135           H63      BTL  35  -2.690 -26.738  -0.681
  577    H5   BTI 135           H5       BTL  35  -2.569 -24.207  -1.621
  578    H72  BTI 135           H72      BTL  35  -1.234 -27.131  -5.479
  579    H73  BTI 135           H73      BTL  35  -0.407 -25.568  -5.656
  580    H82  BTI 135           H82      BTL  35   1.674 -26.495  -4.799
  581    H83  BTI 135           H83      BTL  35   0.879 -28.046  -4.456
  582    H92  BTI 135           H92      BTL  35   0.448 -28.397  -6.845
  583    H93  BTI 135           H93      BTL  35   1.109 -26.805  -7.238
  584   H102  BTI 135          H102      BTL  35   2.726 -28.598  -7.739
  585   H103  BTI 135          H103      BTL  35   3.336 -27.480  -6.523
  Start of MODEL   19
    1   1H    THR   2           H1       THR   2   1.680  -0.123   3.607
    2   2H    THR   2           H2       THR   2   2.518  -1.417   4.191
    3   3H    THR   2           H3       THR   2   1.301  -1.638   3.107
    4    HA   THR   2           HA       THR   2   1.051  -0.668   5.862
    5    HB   THR   2           HB       THR   2  -1.181  -1.070   3.835
    6    HG1  THR   2           HG1      THR   2   0.005   1.021   3.770
    7   1HG2  THR   2          HG21      THR   2  -1.236  -0.345   6.784
    8   2HG2  THR   2          HG22      THR   2  -2.609  -0.149   5.685
    9   3HG2  THR   2          HG23      THR   2  -1.992  -1.766   6.028
   10    H    VAL   3           H        VAL   3  -0.645  -3.263   3.885
   11    HA   VAL   3           HA       VAL   3  -0.132  -5.071   6.179
   12    HB   VAL   3           HB       VAL   3  -1.689  -5.971   3.774
   13   1HG1  VAL   3          HG11      VAL   3  -1.234  -7.537   5.612
   14   2HG1  VAL   3          HG12      VAL   3  -2.012  -6.422   6.758
   15   3HG1  VAL   3          HG13      VAL   3  -2.961  -7.204   5.478
   16   1HG2  VAL   3          HG21      VAL   3  -2.930  -4.203   5.936
   17   2HG2  VAL   3          HG22      VAL   3  -2.800  -3.792   4.210
   18   3HG2  VAL   3          HG23      VAL   3  -3.821  -5.136   4.710
   19    H    SER   4           H        SER   4   0.988  -7.066   5.806
   20    HA   SER   4           HA       SER   4   2.562  -7.341   3.320
   21   1HB   SER   4          HB2       SER   4   3.739  -7.255   6.126
   22   2HB   SER   4          HB3       SER   4   4.636  -7.544   4.635
   23    HG   SER   4           HG       SER   4   4.761  -5.352   5.407
   24    H    ILE   5           H        ILE   5   3.702  -9.403   3.328
   25    HA   ILE   5           HA       ILE   5   2.015 -11.588   4.276
   26    HB   ILE   5           HB       ILE   5   4.529 -11.416   2.544
   27   1HG1  ILE   5          HG12      ILE   5   2.772 -10.308   1.371
   28   2HG1  ILE   5          HG13      ILE   5   2.938 -11.890   0.659
   29   1HG2  ILE   5          HG21      ILE   5   3.891 -13.728   1.787
   30   2HG2  ILE   5          HG22      ILE   5   4.433 -13.629   3.446
   31   3HG2  ILE   5          HG23      ILE   5   2.689 -13.763   3.089
   32   1HD1  ILE   5          HD11      ILE   5   0.947 -12.681   1.986
   33   2HD1  ILE   5          HD12      ILE   5   0.748 -11.001   2.557
   34   3HD1  ILE   5          HD13      ILE   5   0.606 -11.382   0.835
   35    H    GLN   6           H        GLN   6   2.868 -13.365   5.485
   36    HA   GLN   6           HA       GLN   6   4.899 -12.538   7.508
   37   1HB   GLN   6          HB2       GLN   6   3.420 -13.415   9.195
   38   2HB   GLN   6          HB3       GLN   6   2.529 -12.282   8.183
   39   1HG   GLN   6          HG2       GLN   6   1.663 -14.345   6.875
   40   2HG   GLN   6          HG3       GLN   6   2.359 -15.330   8.158
   41   1HE2  GLN   6          HE22      GLN   6  -0.198 -13.074   7.287
   42   2HE2  GLN   6          HE21      GLN   6  -1.155 -13.279   8.735
   43    H    MET   7           H        MET   7   4.611 -14.715   5.050
   44    HA   MET   7           HA       MET   7   6.342 -16.698   6.321
   45   1HB   MET   7          HB2       MET   7   4.171 -17.539   6.980
   46   2HB   MET   7          HB3       MET   7   3.505 -17.282   5.370
   47   1HG   MET   7          HG2       MET   7   3.929 -19.642   5.877
   48   2HG   MET   7          HG3       MET   7   4.771 -19.067   4.457
   49   1HE   MET   7          HE1       MET   7   5.329 -21.811   5.521
   50   2HE   MET   7          HE2       MET   7   6.225 -21.054   4.193
   51   3HE   MET   7          HE3       MET   7   7.110 -21.867   5.507
   52    H    ALA   8           H        ALA   8   7.355 -18.029   4.695
   53    HA   ALA   8           HA       ALA   8   7.831 -16.798   2.122
   54   1HB   ALA   8          HB1       ALA   8   9.253 -18.783   1.787
   55   2HB   ALA   8          HB2       ALA   8   9.595 -17.966   3.329
   56   3HB   ALA   8          HB3       ALA   8   8.642 -19.478   3.303
   57    H    GLY   9           H        GLY   9   6.819 -17.251   0.174
   58   1HA   GLY   9          HA2       GLY   9   5.504 -19.707  -0.400
   59   2HA   GLY   9          HA3       GLY   9   4.333 -18.618   0.334
   60    H    ASN  10           H        ASN  10   3.214 -18.844  -1.591
   61    HA   ASN  10           HA       ASN  10   4.002 -17.062  -3.839
   62   1HB   ASN  10          HB2       ASN  10   2.845 -19.890  -4.003
   63   2HB   ASN  10          HB3       ASN  10   3.016 -18.780  -5.365
   64   1HD2  ASN  10          HD21      ASN  10   4.701 -21.058  -3.258
   65   2HD2  ASN  10          HD22      ASN  10   6.284 -20.848  -3.973
   66    H    LEU  11           H        LEU  11   2.251 -15.760  -4.348
   67    HA   LEU  11           HA       LEU  11   0.131 -15.762  -2.380
   68   1HB   LEU  11          HB2       LEU  11   1.582 -13.806  -3.226
   69   2HB   LEU  11          HB3       LEU  11   0.591 -13.827  -4.665
   70    HG   LEU  11           HG       LEU  11  -1.440 -13.437  -3.205
   71   1HD1  LEU  11          HD11      LEU  11  -0.915 -12.539  -0.859
   72   2HD1  LEU  11          HD12      LEU  11  -0.759 -14.286  -1.037
   73   3HD1  LEU  11          HD13      LEU  11   0.690 -13.256  -1.020
   74   1HD2  LEU  11          HD21      LEU  11   0.828 -11.421  -2.853
   75   2HD2  LEU  11          HD22      LEU  11  -0.172 -11.590  -4.314
   76   3HD2  LEU  11          HD23      LEU  11  -0.916 -11.073  -2.799
   77    H    TRP  12           H        TRP  12  -0.585 -17.835  -3.236
   78    HA   TRP  12           HA       TRP  12  -1.600 -18.756  -5.493
   79   1HB   TRP  12          HB2       TRP  12  -1.584 -20.016  -3.498
   80   2HB   TRP  12          HB3       TRP  12  -2.654 -18.904  -2.672
   81    HD1  TRP  12           HD1      TRP  12  -4.197 -19.973  -5.934
   82    HE1  TRP  12           HE1      TRP  12  -6.032 -21.663  -5.498
   83    HE3  TRP  12           HE3      TRP  12  -3.131 -21.039  -1.059
   84    HZ2  TRP  12           HZ2      TRP  12  -7.113 -23.107  -3.217
   85    HZ3  TRP  12           HZ3      TRP  12  -4.631 -22.495   0.246
   86    HH2  TRP  12           HH2      TRP  12  -6.619 -23.546  -0.812
   87    H    LYS  13           H        LYS  13  -3.576 -16.500  -3.440
   88    HA   LYS  13           HA       LYS  13  -4.944 -15.647  -5.876
   89   1HB   LYS  13          HB2       LYS  13  -6.487 -16.857  -3.567
   90   2HB   LYS  13          HB3       LYS  13  -7.189 -15.728  -4.740
   91   1HG   LYS  13          HG2       LYS  13  -6.508 -17.241  -6.608
   92   2HG   LYS  13          HG3       LYS  13  -6.001 -18.433  -5.411
   93   1HD   LYS  13          HD2       LYS  13  -8.831 -17.368  -5.755
   94   2HD   LYS  13          HD3       LYS  13  -8.217 -18.927  -6.335
   95   1HE   LYS  13          HE2       LYS  13  -7.606 -19.519  -3.974
   96   2HE   LYS  13          HE3       LYS  13  -8.374 -18.021  -3.430
   97   1HZ   LYS  13          HZ1       LYS  13  -9.888 -19.906  -3.242
   98   2HZ   LYS  13          HZ2       LYS  13 -10.482 -18.860  -4.340
   99   3HZ   LYS  13          HZ3       LYS  13  -9.766 -20.243  -4.830
  100    H    VAL  14           H        VAL  14  -6.138 -13.681  -5.569
  101    HA   VAL  14           HA       VAL  14  -5.464 -12.079  -3.196
  102    HB   VAL  14           HB       VAL  14  -4.820 -11.328  -6.088
  103   1HG1  VAL  14          HG11      VAL  14  -4.694  -9.610  -3.569
  104   2HG1  VAL  14          HG12      VAL  14  -4.034  -9.165  -5.160
  105   3HG1  VAL  14          HG13      VAL  14  -5.771  -9.360  -4.973
  106   1HG2  VAL  14          HG21      VAL  14  -3.032 -12.649  -5.036
  107   2HG2  VAL  14          HG22      VAL  14  -2.524 -10.961  -5.135
  108   3HG2  VAL  14          HG23      VAL  14  -3.095 -11.624  -3.592
  109    H    HIS  15           H        HIS  15  -7.069 -10.599  -2.793
  110    HA   HIS  15           HA       HIS  15  -9.591 -10.811  -4.376
  111   1HB   HIS  15          HB2       HIS  15  -9.349 -11.126  -1.357
  112   2HB   HIS  15          HB3       HIS  15 -10.810 -11.295  -2.327
  113    HD1  HIS  15           HD1      HIS  15 -10.629 -13.496  -4.192
  114    HD2  HIS  15           HD2      HIS  15  -7.966 -13.299  -0.942
  115    HE1  HIS  15           HE1      HIS  15  -9.564 -15.805  -3.982
  116    H    VAL  16           H        VAL  16  -7.428  -8.687  -3.812
  117    HA   VAL  16           HA       VAL  16  -9.264  -6.463  -3.090
  118    HB   VAL  16           HB       VAL  16  -7.100  -5.333  -2.303
  119   1HG1  VAL  16          HG11      VAL  16  -8.122  -7.702  -0.702
  120   2HG1  VAL  16          HG12      VAL  16  -7.321  -6.239  -0.064
  121   3HG1  VAL  16          HG13      VAL  16  -8.913  -6.123  -0.833
  122   1HG2  VAL  16          HG21      VAL  16  -6.060  -8.197  -2.060
  123   2HG2  VAL  16          HG22      VAL  16  -5.471  -6.999  -3.233
  124   3HG2  VAL  16          HG23      VAL  16  -5.264  -6.736  -1.499
  125    H    LYS  17           H        LYS  17  -8.760  -4.444  -4.134
  126    HA   LYS  17           HA       LYS  17  -6.874  -4.452  -6.355
  127   1HB   LYS  17          HB2       LYS  17  -9.829  -3.708  -6.707
  128   2HB   LYS  17          HB3       LYS  17  -8.555  -3.423  -7.897
  129   1HG   LYS  17          HG2       LYS  17  -8.171  -5.906  -8.013
  130   2HG   LYS  17          HG3       LYS  17  -9.582  -6.134  -6.965
  131   1HD   LYS  17          HD2       LYS  17  -9.608  -4.789  -9.702
  132   2HD   LYS  17          HD3       LYS  17 -10.091  -6.458  -9.367
  133   1HE   LYS  17          HE2       LYS  17 -11.876  -5.632  -7.833
  134   2HE   LYS  17          HE3       LYS  17 -11.423  -3.965  -8.213
  135   1HZ   LYS  17          HZ1       LYS  17 -12.449  -5.938 -10.171
  136   2HZ   LYS  17          HZ2       LYS  17 -13.292  -4.694  -9.545
  137   3HZ   LYS  17          HZ3       LYS  17 -12.027  -4.397 -10.524
  138    H    ALA  18           H        ALA  18  -6.454  -2.110  -6.948
  139    HA   ALA  18           HA       ALA  18  -6.491  -0.239  -4.819
  140   1HB   ALA  18          HB1       ALA  18  -5.998   1.429  -6.567
  141   2HB   ALA  18          HB2       ALA  18  -5.003  -0.026  -6.768
  142   3HB   ALA  18          HB3       ALA  18  -6.410   0.248  -7.827
  143    H    GLY  19           H        GLY  19  -8.018   1.134  -4.059
  144   1HA   GLY  19          HA2       GLY  19  -9.864   2.482  -4.031
  145   2HA   GLY  19          HA3       GLY  19 -10.372   1.885  -5.615
  146    H    ASP  20           H        ASP  20  -9.849  -0.987  -3.987
  147    HA   ASP  20           HA       ASP  20 -12.698  -1.295  -3.471
  148   1HB   ASP  20          HB2       ASP  20 -11.226  -3.077  -4.454
  149   2HB   ASP  20          HB3       ASP  20 -10.403  -3.206  -2.892
  150    H    GLN  21           H        GLN  21 -13.586  -2.006  -1.423
  151    HA   GLN  21           HA       GLN  21 -12.374  -0.686   0.956
  152   1HB   GLN  21          HB2       GLN  21 -14.752  -0.217   0.415
  153   2HB   GLN  21          HB3       GLN  21 -15.097  -1.941   0.394
  154   1HG   GLN  21          HG2       GLN  21 -15.944  -1.111   2.435
  155   2HG   GLN  21          HG3       GLN  21 -14.534  -2.056   2.851
  156   1HE2  GLN  21          HE22      GLN  21 -13.248  -1.050   4.437
  157   2HE2  GLN  21          HE21      GLN  21 -13.198   0.682   4.683
  158    H    ILE  22           H        ILE  22 -11.658  -1.933   2.693
  159    HA   ILE  22           HA       ILE  22 -12.321  -4.808   2.796
  160    HB   ILE  22           HB       ILE  22 -10.080  -5.391   3.524
  161   1HG1  ILE  22          HG12      ILE  22  -9.196  -2.567   2.777
  162   2HG1  ILE  22          HG13      ILE  22  -9.350  -3.193   4.425
  163   1HG2  ILE  22          HG21      ILE  22  -9.947  -4.033   0.806
  164   2HG2  ILE  22          HG22      ILE  22  -8.997  -5.414   1.383
  165   3HG2  ILE  22          HG23      ILE  22 -10.734  -5.591   1.131
  166   1HD1  ILE  22          HD11      ILE  22  -7.370  -4.072   2.296
  167   2HD1  ILE  22          HD12      ILE  22  -7.057  -3.330   3.879
  168   3HD1  ILE  22          HD13      ILE  22  -7.655  -4.986   3.792
  169    H    GLU  23           H        GLU  23 -11.784  -5.676   5.051
  170    HA   GLU  23           HA       GLU  23 -12.493  -3.706   7.118
  171   1HB   GLU  23          HB2       GLU  23 -14.588  -4.515   5.985
  172   2HB   GLU  23          HB3       GLU  23 -14.144  -6.173   6.422
  173   1HG   GLU  23          HG2       GLU  23 -14.187  -5.539   8.821
  174   2HG   GLU  23          HG3       GLU  23 -14.563  -3.872   8.372
  175    H    LYS  24           H        LYS  24 -11.678  -4.456   9.134
  176    HA   LYS  24           HA       LYS  24  -9.448  -6.096   9.069
  177   1HB   LYS  24          HB2       LYS  24 -10.038  -4.450  10.850
  178   2HB   LYS  24          HB3       LYS  24 -11.236  -5.579  11.491
  179   1HG   LYS  24          HG2       LYS  24  -9.484  -7.222  11.998
  180   2HG   LYS  24          HG3       LYS  24  -8.269  -6.233  11.174
  181   1HD   LYS  24          HD2       LYS  24  -8.617  -4.425  12.858
  182   2HD   LYS  24          HD3       LYS  24  -9.792  -5.461  13.702
  183   1HE   LYS  24          HE2       LYS  24  -8.020  -7.181  14.026
  184   2HE   LYS  24          HE3       LYS  24  -6.861  -6.149  13.176
  185   1HZ   LYS  24          HZ1       LYS  24  -7.118  -4.510  14.943
  186   2HZ   LYS  24          HZ2       LYS  24  -8.198  -5.456  15.730
  187   3HZ   LYS  24          HZ3       LYS  24  -6.651  -5.939  15.570
  188    H    GLY  25           H        GLY  25  -9.073  -8.228   8.992
  189   1HA   GLY  25          HA2       GLY  25  -9.365 -10.484   9.402
  190   2HA   GLY  25          HA3       GLY  25 -10.958 -10.179  10.089
  191    H    GLN  26           H        GLN  26 -11.003  -8.610   7.069
  192    HA   GLN  26           HA       GLN  26 -12.492 -10.742   5.757
  193   1HB   GLN  26          HB2       GLN  26 -12.884  -8.226   5.428
  194   2HB   GLN  26          HB3       GLN  26 -11.320  -8.171   4.606
  195   1HG   GLN  26          HG2       GLN  26 -12.458 -10.141   3.137
  196   2HG   GLN  26          HG3       GLN  26 -13.932  -9.393   3.722
  197   1HE2  GLN  26          HE22      GLN  26 -11.266  -9.186   1.501
  198   2HE2  GLN  26          HE21      GLN  26 -11.723  -7.660   0.758
  199    H    GLU  27           H        GLU  27 -11.619 -12.115   4.195
  200    HA   GLU  27           HA       GLU  27  -8.784 -12.553   3.943
  201   1HB   GLU  27          HB2       GLU  27 -10.585 -14.238   3.619
  202   2HB   GLU  27          HB3       GLU  27 -11.097 -13.400   2.151
  203   1HG   GLU  27          HG2       GLU  27  -8.941 -13.903   1.083
  204   2HG   GLU  27          HG3       GLU  27  -8.317 -14.577   2.592
  205    H    VAL  28           H        VAL  28  -7.328 -11.444   2.727
  206    HA   VAL  28           HA       VAL  28  -8.312  -9.808   0.446
  207    HB   VAL  28           HB       VAL  28  -6.364  -8.334   0.926
  208   1HG1  VAL  28          HG11      VAL  28  -8.702  -7.808   1.671
  209   2HG1  VAL  28          HG12      VAL  28  -8.345  -8.546   3.235
  210   3HG1  VAL  28          HG13      VAL  28  -7.451  -7.100   2.711
  211   1HG2  VAL  28          HG21      VAL  28  -5.314  -8.318   3.130
  212   2HG2  VAL  28          HG22      VAL  28  -6.226  -9.750   3.619
  213   3HG2  VAL  28          HG23      VAL  28  -4.993  -9.871   2.345
  214    H    ALA  29           H        ALA  29  -6.004 -12.308   1.544
  215    HA   ALA  29           HA       ALA  29  -5.618 -12.976  -1.238
  216   1HB   ALA  29          HB1       ALA  29  -3.173 -12.188   0.424
  217   2HB   ALA  29          HB2       ALA  29  -3.168 -12.893  -1.206
  218   3HB   ALA  29          HB3       ALA  29  -3.818 -11.272  -0.954
  219    H    ILE  30           H        ILE  30  -4.024 -14.967  -1.256
  220    HA   ILE  30           HA       ILE  30  -4.094 -16.480   1.295
  221    HB   ILE  30           HB       ILE  30  -4.844 -17.799  -1.343
  222   1HG1  ILE  30          HG12      ILE  30  -6.782 -16.980   0.867
  223   2HG1  ILE  30          HG13      ILE  30  -6.685 -16.276  -0.752
  224   1HG2  ILE  30          HG21      ILE  30  -5.475 -19.695   0.171
  225   2HG2  ILE  30          HG22      ILE  30  -3.792 -19.270   0.312
  226   3HG2  ILE  30          HG23      ILE  30  -4.929 -18.737   1.567
  227   1HD1  ILE  30          HD11      ILE  30  -7.611 -19.064  -0.037
  228   2HD1  ILE  30          HD12      ILE  30  -8.485 -17.777  -0.877
  229   3HD1  ILE  30          HD13      ILE  30  -7.135 -18.605  -1.689
  230    H    LEU  31           H        LEU  31  -2.301 -17.763   1.553
  231    HA   LEU  31           HA       LEU  31  -0.158 -17.672  -0.515
  232   1HB   LEU  31          HB2       LEU  31  -0.207 -18.437   2.419
  233   2HB   LEU  31          HB3       LEU  31   1.196 -18.702   1.406
  234    HG   LEU  31           HG       LEU  31  -0.021 -15.994   2.051
  235   1HD1  LEU  31          HD11      LEU  31   2.611 -17.266   2.950
  236   2HD1  LEU  31          HD12      LEU  31   1.933 -15.719   3.496
  237   3HD1  LEU  31          HD13      LEU  31   1.140 -17.224   3.940
  238   1HD2  LEU  31          HD21      LEU  31   2.474 -16.712   0.467
  239   2HD2  LEU  31          HD22      LEU  31   1.026 -15.887  -0.151
  240   3HD2  LEU  31          HD23      LEU  31   2.047 -15.080   1.035
  241    H    GLU  32           H        GLU  32   0.275 -19.431  -1.536
  242    HA   GLU  32           HA       GLU  32  -0.157 -22.089  -0.304
  243   1HB   GLU  32          HB2       GLU  32  -0.490 -22.245  -2.676
  244   2HB   GLU  32          HB3       GLU  32   0.822 -21.132  -3.031
  245   1HG   GLU  32          HG2       GLU  32   1.583 -23.651  -1.576
  246   2HG   GLU  32          HG3       GLU  32   0.990 -23.846  -3.216
  247    H    SER  33           H        SER  33   1.553 -22.714   0.912
  248    HA   SER  33           HA       SER  33   4.175 -21.320   0.675
  249   1HB   SER  33          HB2       SER  33   2.339 -21.680   3.061
  250   2HB   SER  33          HB3       SER  33   4.096 -21.639   3.271
  251    HG   SER  33           HG       SER  33   4.178 -19.629   2.455
  252    H    MET  34           H        MET  34   5.119 -23.072  -0.330
  253    HA   MET  34           HA       MET  34   5.881 -25.166  -0.692
  254   1HB   MET  34          HB2       MET  34   6.121 -25.248   2.347
  255   2HB   MET  34          HB3       MET  34   6.911 -26.335   1.205
  256   1HG   MET  34          HG2       MET  34   8.565 -24.809   1.751
  257   2HG   MET  34          HG3       MET  34   8.018 -24.305   0.162
  258   1HE   MET  34          HE1       MET  34   8.934 -21.918   0.093
  259   2HE   MET  34          HE2       MET  34   7.226 -21.933  -0.405
  260   3HE   MET  34          HE3       MET  34   7.835 -20.638   0.646
  261    H    LYS  35           H        BTL  35   3.323 -25.028  -1.041
  262    HA   LYS  35           HA       BTL  35   1.400 -25.934  -1.255
  263   1HB   LYS  35          HB2       BTL  35   1.146 -28.216  -1.746
  264   2HB   LYS  35          HB3       BTL  35   2.624 -27.561  -2.438
  265   1HG   LYS  35          HG2       BTL  35   3.991 -28.798  -0.844
  266   2HG   LYS  35          HG3       BTL  35   2.554 -29.256   0.081
  267   1HD   LYS  35          HD2       BTL  35   3.029 -31.179  -1.096
  268   2HD   LYS  35          HD3       BTL  35   1.752 -30.466  -2.069
  269   1HE   LYS  35          HE2       BTL  35   4.751 -30.311  -2.646
  270   2HE   LYS  35          HE3       BTL  35   3.633 -31.454  -3.393
  271   1HZ   LYS  35          HZ1       BTL  35   3.908 -28.587  -3.940
  272    H    MET  36           H        MET  36   1.844 -24.945   1.369
  273    HA   MET  36           HA       MET  36  -0.353 -26.402   2.767
  274   1HB   MET  36          HB2       MET  36   1.635 -24.414   3.925
  275   2HB   MET  36          HB3       MET  36   0.429 -25.345   4.800
  276   1HG   MET  36          HG2       MET  36   1.618 -27.430   4.299
  277   2HG   MET  36          HG3       MET  36   2.820 -26.555   3.349
  278   1HE   MET  36          HE1       MET  36   3.577 -23.962   4.979
  279   2HE   MET  36          HE2       MET  36   4.907 -24.590   5.974
  280   3HE   MET  36          HE3       MET  36   4.752 -25.093   4.278
  281    H    GLU  37           H        GLU  37  -2.213 -25.225   3.065
  282    HA   GLU  37           HA       GLU  37  -2.581 -22.684   1.733
  283   1HB   GLU  37          HB2       GLU  37  -4.452 -24.095   3.710
  284   2HB   GLU  37          HB3       GLU  37  -4.863 -22.895   2.503
  285   1HG   GLU  37          HG2       GLU  37  -5.550 -24.701   1.342
  286   2HG   GLU  37          HG3       GLU  37  -3.871 -24.780   0.837
  287    H    ILE  38           H        ILE  38  -2.393 -20.615   2.672
  288    HA   ILE  38           HA       ILE  38  -2.968 -20.395   5.570
  289    HB   ILE  38           HB       ILE  38  -0.637 -18.867   4.402
  290   1HG1  ILE  38          HG12      ILE  38  -0.449 -21.391   6.089
  291   2HG1  ILE  38          HG13      ILE  38  -0.001 -21.255   4.382
  292   1HG2  ILE  38          HG21      ILE  38  -0.195 -18.278   6.716
  293   2HG2  ILE  38          HG22      ILE  38  -1.866 -17.897   6.349
  294   3HG2  ILE  38          HG23      ILE  38  -1.487 -19.361   7.279
  295   1HD1  ILE  38          HD11      ILE  38   1.710 -19.544   4.993
  296   2HD1  ILE  38          HD12      ILE  38   1.387 -19.904   6.710
  297   3HD1  ILE  38          HD13      ILE  38   2.003 -21.171   5.641
  298    HA   PRO  39           HA       PRO  39  -5.573 -17.244   3.429
  299   1HB   PRO  39          HB2       PRO  39  -6.391 -16.807   6.298
  300   2HB   PRO  39          HB3       PRO  39  -7.418 -16.958   4.846
  301   1HG   PRO  39          HG2       PRO  39  -7.191 -19.027   6.610
  302   2HG   PRO  39          HG3       PRO  39  -7.240 -19.328   4.844
  303   1HD   PRO  39          HD2       PRO  39  -4.819 -19.237   6.661
  304   2HD   PRO  39          HD3       PRO  39  -5.215 -20.400   5.354
  305    H    ILE  40           H        ILE  40  -5.286 -14.958   3.335
  306    HA   ILE  40           HA       ILE  40  -3.637 -13.697   5.462
  307    HB   ILE  40           HB       ILE  40  -3.533 -12.956   2.524
  308   1HG1  ILE  40          HG12      ILE  40  -2.565 -15.198   2.694
  309   2HG1  ILE  40          HG13      ILE  40  -1.362 -13.997   2.305
  310   1HG2  ILE  40          HG21      ILE  40  -1.476 -11.730   3.242
  311   2HG2  ILE  40          HG22      ILE  40  -2.950 -11.129   4.010
  312   3HG2  ILE  40          HG23      ILE  40  -1.829 -12.159   4.924
  313   1HD1  ILE  40          HD11      ILE  40  -0.934 -15.895   4.131
  314   2HD1  ILE  40          HD12      ILE  40  -0.227 -14.265   4.308
  315   3HD1  ILE  40          HD13      ILE  40  -1.669 -14.727   5.222
  316    H    VAL  41           H        VAL  41  -4.821 -12.265   6.470
  317    HA   VAL  41           HA       VAL  41  -7.298 -11.255   5.197
  318    HB   VAL  41           HB       VAL  41  -8.143 -11.233   7.595
  319   1HG1  VAL  41          HG11      VAL  41  -8.711 -13.693   7.578
  320   2HG1  VAL  41          HG12      VAL  41  -9.043 -12.865   6.071
  321   3HG1  VAL  41          HG13      VAL  41  -7.603 -13.901   6.205
  322   1HG2  VAL  41          HG21      VAL  41  -5.983 -13.363   8.051
  323   2HG2  VAL  41          HG22      VAL  41  -5.861 -11.692   8.684
  324   3HG2  VAL  41          HG23      VAL  41  -7.172 -12.758   9.212
  325    H    ALA  42           H        ALA  42  -8.018  -9.189   5.849
  326    HA   ALA  42           HA       ALA  42  -6.027  -7.211   5.724
  327   1HB   ALA  42          HB1       ALA  42  -7.912  -5.654   6.087
  328   2HB   ALA  42          HB2       ALA  42  -8.394  -6.941   4.964
  329   3HB   ALA  42          HB3       ALA  42  -8.918  -6.996   6.653
  330    H    ASP  43           H        ASP  43  -4.634  -6.740   7.269
  331    HA   ASP  43           HA       ASP  43  -4.834  -7.206  10.040
  332   1HB   ASP  43          HB2       ASP  43  -2.719  -6.753   8.948
  333   2HB   ASP  43          HB3       ASP  43  -3.232  -5.112   8.532
  334    H    ARG  44           H        ARG  44  -6.137  -4.494   8.161
  335    HA   ARG  44           HA       ARG  44  -7.860  -3.847  10.361
  336   1HB   ARG  44          HB2       ARG  44  -7.436  -1.414  10.361
  337   2HB   ARG  44          HB3       ARG  44  -6.147  -2.334  11.089
  338   1HG   ARG  44          HG2       ARG  44  -5.918  -1.469   8.171
  339   2HG   ARG  44          HG3       ARG  44  -5.660  -0.320   9.490
  340   1HD   ARG  44          HD2       ARG  44  -4.044  -2.151  10.438
  341   2HD   ARG  44          HD3       ARG  44  -4.024  -2.753   8.768
  342    HE   ARG  44           HE       ARG  44  -3.554  -0.078   8.445
  343   1HH1  ARG  44          HH12      ARG  44  -1.943  -2.543  10.462
  344   2HH1  ARG  44          HH11      ARG  44  -0.547  -1.550  10.750
  345   1HH2  ARG  44          HH21      ARG  44  -1.809   1.177   8.815
  346   2HH2  ARG  44          HH22      ARG  44  -0.440   0.642   9.756
  347    H    SER  45           H        SER  45  -9.596  -2.353   9.651
  348    HA   SER  45           HA       SER  45 -10.491  -2.759   6.975
  349   1HB   SER  45          HB2       SER  45 -11.325  -0.647   9.014
  350   2HB   SER  45          HB3       SER  45 -12.308  -1.293   7.684
  351    HG   SER  45           HG       SER  45 -12.729  -2.205   9.812
  352    H    GLY  46           H        GLY  46 -10.833  -1.090   5.329
  353   1HA   GLY  46          HA2       GLY  46 -10.281   1.575   5.444
  354   2HA   GLY  46          HA3       GLY  46  -8.687   0.874   5.105
  355    H    ILE  47           H        ILE  47  -9.359   2.425   3.157
  356    HA   ILE  47           HA       ILE  47 -10.506   0.695   1.015
  357    HB   ILE  47           HB       ILE  47 -10.029   3.698   1.098
  358   1HG1  ILE  47          HG12      ILE  47 -12.513   1.922   0.902
  359   2HG1  ILE  47          HG13      ILE  47 -12.055   2.946   2.263
  360   1HG2  ILE  47          HG21      ILE  47  -9.409   2.798  -1.141
  361   2HG2  ILE  47          HG22      ILE  47 -10.982   1.975  -1.237
  362   3HG2  ILE  47          HG23      ILE  47 -10.875   3.750  -1.225
  363   1HD1  ILE  47          HD11      ILE  47 -13.823   4.040   1.102
  364   2HD1  ILE  47          HD12      ILE  47 -12.340   4.958   0.760
  365   3HD1  ILE  47          HD13      ILE  47 -13.026   3.853  -0.465
  366    H    VAL  48           H        VAL  48  -9.130  -0.115  -0.444
  367    HA   VAL  48           HA       VAL  48  -6.314  -0.187   0.140
  368    HB   VAL  48           HB       VAL  48  -7.965  -1.128  -2.238
  369   1HG1  VAL  48          HG11      VAL  48  -5.985  -2.665  -2.628
  370   2HG1  VAL  48          HG12      VAL  48  -5.657  -0.966  -2.956
  371   3HG1  VAL  48          HG13      VAL  48  -5.073  -1.675  -1.455
  372   1HG2  VAL  48          HG21      VAL  48  -6.952  -2.667   0.195
  373   2HG2  VAL  48          HG22      VAL  48  -8.639  -2.259  -0.153
  374   3HG2  VAL  48          HG23      VAL  48  -7.780  -3.371  -1.212
  375    H    LYS  49           H        LYS  49  -4.785   1.221  -0.519
  376    HA   LYS  49           HA       LYS  49  -5.408   3.278  -2.554
  377   1HB   LYS  49          HB2       LYS  49  -4.130   3.875  -0.456
  378   2HB   LYS  49          HB3       LYS  49  -2.850   2.760  -0.958
  379   1HG   LYS  49          HG2       LYS  49  -2.640   4.126  -3.107
  380   2HG   LYS  49          HG3       LYS  49  -3.793   5.273  -2.400
  381   1HD   LYS  49          HD2       LYS  49  -2.196   5.584  -0.469
  382   2HD   LYS  49          HD3       LYS  49  -1.090   4.445  -1.255
  383   1HE   LYS  49          HE2       LYS  49  -0.305   6.665  -1.721
  384   2HE   LYS  49          HE3       LYS  49  -0.906   5.952  -3.218
  385   1HZ   LYS  49          HZ1       LYS  49  -2.934   7.268  -2.950
  386   2HZ   LYS  49          HZ2       LYS  49  -2.385   7.910  -1.545
  387   3HZ   LYS  49          HZ3       LYS  49  -1.630   8.240  -2.947
  388    H    GLU  50           H        GLU  50  -3.216   0.397  -1.948
  389    HA   GLU  50           HA       GLU  50  -3.041  -0.013  -4.850
  390   1HB   GLU  50          HB2       GLU  50  -1.273   1.757  -4.032
  391   2HB   GLU  50          HB3       GLU  50  -0.475   0.388  -3.250
  392   1HG   GLU  50          HG2       GLU  50  -0.159  -0.712  -5.394
  393   2HG   GLU  50          HG3       GLU  50  -1.199   0.470  -6.203
  394    H    VAL  51           H        VAL  51  -2.043  -2.128  -5.311
  395    HA   VAL  51           HA       VAL  51  -1.754  -3.914  -2.946
  396    HB   VAL  51           HB       VAL  51  -2.609  -4.853  -5.704
  397   1HG1  VAL  51          HG11      VAL  51  -1.597  -6.509  -4.109
  398   2HG1  VAL  51          HG12      VAL  51  -2.856  -6.115  -2.928
  399   3HG1  VAL  51          HG13      VAL  51  -3.285  -6.868  -4.481
  400   1HG2  VAL  51          HG21      VAL  51  -4.465  -4.236  -3.371
  401   2HG2  VAL  51          HG22      VAL  51  -4.445  -3.395  -4.937
  402   3HG2  VAL  51          HG23      VAL  51  -4.913  -5.094  -4.859
  403    H    LYS  52           H        LYS  52   0.311  -4.611  -2.761
  404    HA   LYS  52           HA       LYS  52   2.262  -3.624  -4.721
  405   1HB   LYS  52          HB2       LYS  52   2.569  -5.022  -2.022
  406   2HB   LYS  52          HB3       LYS  52   3.879  -4.316  -2.957
  407   1HG   LYS  52          HG2       LYS  52   1.542  -2.734  -1.788
  408   2HG   LYS  52          HG3       LYS  52   3.155  -2.869  -1.093
  409   1HD   LYS  52          HD2       LYS  52   4.109  -1.862  -3.196
  410   2HD   LYS  52          HD3       LYS  52   2.444  -1.578  -3.759
  411   1HE   LYS  52          HE2       LYS  52   1.994  -0.216  -1.745
  412   2HE   LYS  52          HE3       LYS  52   3.645  -0.499  -1.167
  413   1HZ   LYS  52          HZ1       LYS  52   3.451   1.631  -2.295
  414   2HZ   LYS  52          HZ2       LYS  52   4.447   0.663  -3.152
  415   3HZ   LYS  52          HZ3       LYS  52   2.906   0.917  -3.669
  416    H    LYS  53           H        LYS  53   0.517  -6.441  -4.588
  417    HA   LYS  53           HA       LYS  53   2.524  -8.010  -6.078
  418   1HB   LYS  53          HB2       LYS  53   0.989  -9.006  -3.625
  419   2HB   LYS  53          HB3       LYS  53   1.884 -10.059  -4.729
  420   1HG   LYS  53          HG2       LYS  53   3.212  -7.849  -3.110
  421   2HG   LYS  53          HG3       LYS  53   3.051  -9.522  -2.590
  422   1HD   LYS  53          HD2       LYS  53   4.276 -10.305  -4.579
  423   2HD   LYS  53          HD3       LYS  53   4.485  -8.624  -5.137
  424   1HE   LYS  53          HE2       LYS  53   5.845  -8.065  -3.264
  425   2HE   LYS  53          HE3       LYS  53   5.367  -9.523  -2.396
  426   1HZ   LYS  53          HZ1       LYS  53   7.178  -9.407  -4.717
  427   2HZ   LYS  53          HZ2       LYS  53   7.475  -9.906  -3.160
  428   3HZ   LYS  53          HZ3       LYS  53   6.545 -10.820  -4.129
  429    H    LYS  54           H        LYS  54   1.183 -10.161  -6.750
  430    HA   LYS  54           HA       LYS  54  -1.613  -9.517  -7.369
  431   1HB   LYS  54          HB2       LYS  54  -1.333 -10.030  -9.751
  432   2HB   LYS  54          HB3       LYS  54  -0.399  -8.607  -9.299
  433   1HG   LYS  54          HG2       LYS  54   1.680  -9.965  -9.249
  434   2HG   LYS  54          HG3       LYS  54   0.751 -11.419  -9.660
  435   1HD   LYS  54          HD2       LYS  54   0.066 -10.378 -11.803
  436   2HD   LYS  54          HD3       LYS  54   1.003  -8.922 -11.393
  437   1HE   LYS  54          HE2       LYS  54   3.074 -10.297 -11.276
  438   2HE   LYS  54          HE3       LYS  54   2.141 -11.743 -11.684
  439   1HZ   LYS  54          HZ1       LYS  54   3.232 -10.816 -13.625
  440   2HZ   LYS  54          HZ2       LYS  54   1.619 -10.720 -13.824
  441   3HZ   LYS  54          HZ3       LYS  54   2.481  -9.382 -13.446
  442    H    GLU  55           H        GLU  55  -2.708 -11.459  -8.237
  443    HA   GLU  55           HA       GLU  55  -2.327 -13.853  -6.860
  444   1HB   GLU  55          HB2       GLU  55  -4.360 -13.153  -8.066
  445   2HB   GLU  55          HB3       GLU  55  -3.525 -13.295  -9.618
  446   1HG   GLU  55          HG2       GLU  55  -3.246 -15.744  -9.220
  447   2HG   GLU  55          HG3       GLU  55  -4.084 -15.564  -7.686
  448    H    GLY  56           H        GLY  56  -0.703 -15.225  -6.860
  449   1HA   GLY  56          HA2       GLY  56   0.604 -16.903  -7.757
  450   2HA   GLY  56          HA3       GLY  56   0.483 -16.187  -9.369
  451    H    ASP  57           H        ASP  57   1.366 -13.641  -7.250
  452    HA   ASP  57           HA       ASP  57   4.081 -13.651  -8.241
  453   1HB   ASP  57          HB2       ASP  57   2.568 -11.626  -7.457
  454   2HB   ASP  57          HB3       ASP  57   3.207 -12.001  -5.871
  455    H    PHE  58           H        PHE  58   5.978 -13.600  -6.771
  456    HA   PHE  58           HA       PHE  58   5.916 -15.804  -4.772
  457   1HB   PHE  58          HB2       PHE  58   7.747 -15.772  -6.439
  458   2HB   PHE  58          HB3       PHE  58   8.189 -14.145  -5.937
  459    HD1  PHE  58           HD1      PHE  58   7.902 -17.681  -4.713
  460    HD2  PHE  58           HD2      PHE  58   9.669 -13.795  -4.076
  461    HE1  PHE  58           HE1      PHE  58   9.383 -18.637  -2.967
  462    HE2  PHE  58           HE2      PHE  58  11.147 -14.758  -2.331
  463    HZ   PHE  58           HZ       PHE  58  11.019 -17.181  -1.784
  464    H    VAL  59           H        VAL  59   6.352 -15.353  -2.562
  465    HA   VAL  59           HA       VAL  59   6.631 -12.551  -1.701
  466    HB   VAL  59           HB       VAL  59   4.644 -12.985  -0.151
  467   1HG1  VAL  59          HG11      VAL  59   3.014 -12.053  -1.684
  468   2HG1  VAL  59          HG12      VAL  59   4.601 -11.317  -1.919
  469   3HG1  VAL  59          HG13      VAL  59   3.992 -12.529  -3.080
  470   1HG2  VAL  59          HG21      VAL  59   3.843 -14.977  -2.322
  471   2HG2  VAL  59          HG22      VAL  59   4.239 -15.367  -0.629
  472   3HG2  VAL  59          HG23      VAL  59   2.817 -14.377  -1.023
  473    H    ASN  60           H        ASN  60   6.923 -12.424   0.711
  474    HA   ASN  60           HA       ASN  60   7.784 -14.886   1.963
  475   1HB   ASN  60          HB2       ASN  60   9.704 -13.327   0.494
  476   2HB   ASN  60          HB3       ASN  60  10.020 -13.041   2.197
  477   1HD2  ASN  60          HD22      ASN  60   9.155 -15.797  -0.007
  478   2HD2  ASN  60          HD21      ASN  60  10.287 -16.923   0.712
  479    H    GLU  61           H        GLU  61   8.774 -14.428   4.181
  480    HA   GLU  61           HA       GLU  61   6.898 -12.951   5.722
  481   1HB   GLU  61          HB2       GLU  61   8.316 -14.838   6.534
  482   2HB   GLU  61          HB3       GLU  61   9.749 -13.811   6.402
  483   1HG   GLU  61          HG2       GLU  61   8.677 -12.224   8.056
  484   2HG   GLU  61          HG3       GLU  61   7.342 -13.362   8.218
  485    H    GLY  62           H        GLY  62   6.634 -10.808   5.871
  486   1HA   GLY  62          HA2       GLY  62   7.206  -8.641   6.383
  487   2HA   GLY  62          HA3       GLY  62   8.919  -8.985   6.109
  488    H    ASP  63           H        ASP  63   7.241 -10.228   3.416
  489    HA   ASP  63           HA       ASP  63   8.104  -7.985   1.743
  490   1HB   ASP  63          HB2       ASP  63   8.351 -10.456   1.166
  491   2HB   ASP  63          HB3       ASP  63   6.597 -10.504   0.947
  492    H    VAL  64           H        VAL  64   6.679  -6.516   0.818
  493    HA   VAL  64           HA       VAL  64   4.300  -5.982   2.303
  494    HB   VAL  64           HB       VAL  64   4.051  -4.113   0.639
  495   1HG1  VAL  64          HG11      VAL  64   5.973  -2.857   1.487
  496   2HG1  VAL  64          HG12      VAL  64   5.253  -3.848   2.765
  497   3HG1  VAL  64          HG13      VAL  64   6.768  -4.362   1.995
  498   1HG2  VAL  64          HG21      VAL  64   5.244  -5.264  -1.291
  499   2HG2  VAL  64          HG22      VAL  64   5.790  -3.612  -0.951
  500   3HG2  VAL  64          HG23      VAL  64   6.772  -4.993  -0.437
  501    H    LEU  65           H        LEU  65   2.131  -5.683   1.515
  502    HA   LEU  65           HA       LEU  65   1.365  -7.347  -0.849
  503   1HB   LEU  65          HB2       LEU  65   0.979  -8.715   1.120
  504   2HB   LEU  65          HB3       LEU  65   0.213  -7.376   1.967
  505    HG   LEU  65           HG       LEU  65  -1.669  -7.405   0.330
  506   1HD1  LEU  65          HD11      LEU  65  -0.588  -8.400  -1.630
  507   2HD1  LEU  65          HD12      LEU  65  -0.311  -9.910  -0.737
  508   3HD1  LEU  65          HD13      LEU  65  -1.964  -9.383  -1.132
  509   1HD2  LEU  65          HD21      LEU  65  -1.840  -8.571   2.474
  510   2HD2  LEU  65          HD22      LEU  65  -2.776  -9.356   1.194
  511   3HD2  LEU  65          HD23      LEU  65  -1.229 -10.053   1.703
  512    H    LEU  66           H        LEU  66   0.389  -4.693   1.455
  513    HA   LEU  66           HA       LEU  66  -1.425  -3.606  -0.645
  514   1HB   LEU  66          HB2       LEU  66  -2.053  -4.788   2.049
  515   2HB   LEU  66          HB3       LEU  66  -2.900  -3.321   1.646
  516    HG   LEU  66           HG       LEU  66  -2.971  -5.728  -0.208
  517   1HD1  LEU  66          HD11      LEU  66  -3.779  -6.435   2.021
  518   2HD1  LEU  66          HD12      LEU  66  -4.865  -5.028   2.087
  519   3HD1  LEU  66          HD13      LEU  66  -5.118  -6.304   0.879
  520   1HD2  LEU  66          HD21      LEU  66  -5.112  -4.599  -0.897
  521   2HD2  LEU  66          HD22      LEU  66  -4.706  -3.262   0.186
  522   3HD2  LEU  66          HD23      LEU  66  -3.669  -3.630  -1.205
  523    H    GLU  67           H        GLU  67  -1.862  -1.455  -0.390
  524    HA   GLU  67           HA       GLU  67  -0.759  -0.006   1.937
  525   1HB   GLU  67          HB2       GLU  67   0.646   0.293  -0.221
  526   2HB   GLU  67          HB3       GLU  67  -0.788   1.028  -0.931
  527   1HG   GLU  67          HG2       GLU  67   0.503   2.840  -0.214
  528   2HG   GLU  67          HG3       GLU  67  -0.735   2.693   1.026
  529    H    LEU  68           H        LEU  68  -2.277   1.398   2.802
  530    HA   LEU  68           HA       LEU  68  -4.999   1.262   1.556
  531   1HB   LEU  68          HB2       LEU  68  -4.316   1.137   4.514
  532   2HB   LEU  68          HB3       LEU  68  -5.898   0.997   3.772
  533    HG   LEU  68           HG       LEU  68  -3.657  -1.049   3.624
  534   1HD1  LEU  68          HD11      LEU  68  -5.130  -2.415   5.015
  535   2HD1  LEU  68          HD12      LEU  68  -4.843  -0.866   5.816
  536   3HD1  LEU  68          HD13      LEU  68  -6.384  -1.156   4.991
  537   1HD2  LEU  68          HD21      LEU  68  -6.452  -1.174   2.419
  538   2HD2  LEU  68          HD22      LEU  68  -4.905  -1.149   1.535
  539   3HD2  LEU  68          HD23      LEU  68  -5.305  -2.531   2.538
  540    H    SER  69           H        SER  69  -6.070   3.224   1.514
  541    HA   SER  69           HA       SER  69  -4.733   5.652   2.007
  542   1HB   SER  69          HB2       SER  69  -7.733   5.139   1.986
  543   2HB   SER  69          HB3       SER  69  -6.897   6.657   1.595
  544    HG   SER  69           HG       SER  69  -7.464   5.508  -0.292
  545    H    ASN  70           H        ASN  70  -6.853   3.697   4.119
  546    HA   ASN  70           HA       ASN  70  -7.156   5.511   6.251
  547   1HB   ASN  70          HB2       ASN  70  -8.406   3.372   5.963
  548   2HB   ASN  70          HB3       ASN  70  -6.938   2.476   6.380
  549   1HD2  ASN  70          HD22      ASN  70  -8.065   1.490   8.215
  550   2HD2  ASN  70          HD21      ASN  70  -8.336   2.429   9.663
  551    H    SER  71           H        SER  71  -4.301   3.681   5.301
  552    HA   SER  71           HA       SER  71  -2.900   4.378   7.841
  553   1HB   SER  71          HB2       SER  71  -2.391   2.236   5.751
  554   2HB   SER  71          HB3       SER  71  -1.362   2.538   7.160
  555    HG   SER  71           HG       SER  71  -4.149   2.014   7.369
  556    H    THR  72           H        THR  72  -3.303   5.678   4.811
  557    HA   THR  72           HA       THR  72  -0.460   6.579   4.634
  558    HB   THR  72           HB       THR  72  -2.343   6.149   2.293
  559    HG1  THR  72           HG1      THR  72  -2.034   4.168   3.170
  560   1HG2  THR  72          HG21      THR  72  -0.171   5.962   1.028
  561   2HG2  THR  72          HG22      THR  72  -0.449   7.570   1.705
  562   3HG2  THR  72          HG23      THR  72   0.688   6.458   2.501
  563    H    GLN  73           H        GLN  73  -3.750   7.557   5.001
  564    HA   GLN  73           HA       GLN  73  -3.746  10.186   4.056
  565   1HB   GLN  73          HB2       GLN  73  -5.432  10.600   5.794
  566   2HB   GLN  73          HB3       GLN  73  -5.738   9.106   4.910
  567   1HG   GLN  73          HG2       GLN  73  -4.735   7.815   6.825
  568   2HG   GLN  73          HG3       GLN  73  -4.565   9.322   7.723
  569   1HE2  GLN  73          HE22      GLN  73  -6.233   6.793   8.194
  570   2HE2  GLN  73          HE21      GLN  73  -7.849   7.402   8.456
  571    HN3  BTI 135           HN3      BTL  35  -4.980 -25.409  -1.578
  572    HN2  BTI 135           HN2      BTL  35  -3.143 -25.349  -5.155
  573    H4   BTI 135           H4       BTL  35  -1.771 -24.043  -3.448
  574    H2   BTI 135           H2       BTL  35  -0.218 -25.700  -2.819
  575    H62  BTI 135           H62      BTL  35  -1.467 -25.866  -0.472
  576    H63  BTI 135           H63      BTL  35  -3.045 -26.688  -0.420
  577    H5   BTI 135           H5       BTL  35  -2.794 -24.141  -1.356
  578    H72  BTI 135           H72      BTL  35  -1.458 -27.161  -5.164
  579    H73  BTI 135           H73      BTL  35  -0.547 -25.643  -5.330
  580    H82  BTI 135           H82      BTL  35   1.426 -26.642  -4.318
  581    H83  BTI 135           H83      BTL  35   0.541 -28.144  -3.986
  582    H92  BTI 135           H92      BTL  35   0.315 -28.607  -6.370
  583    H93  BTI 135           H93      BTL  35   1.047 -27.047  -6.778
  584   H102  BTI 135          H102      BTL  35   2.682 -28.869  -7.020
  585   H103  BTI 135          H103      BTL  35   3.174 -27.720  -5.782
  Start of MODEL   20
    1   1H    THR   2           H1       THR   2   1.565   0.023   3.940
    2   2H    THR   2           H2       THR   2   2.239  -1.351   4.547
    3   3H    THR   2           H3       THR   2   1.083  -1.435   3.377
    4    HA   THR   2           HA       THR   2   0.727  -0.416   6.102
    5    HB   THR   2           HB       THR   2  -1.482  -0.868   4.092
    6    HG1  THR   2           HG1      THR   2  -0.306   1.624   4.781
    7   1HG2  THR   2          HG21      THR   2  -2.676   0.739   5.639
    8   2HG2  THR   2          HG22      THR   2  -2.289  -0.820   6.392
    9   3HG2  THR   2          HG23      THR   2  -1.299   0.617   6.740
   10    H    VAL   3           H        VAL   3  -0.300  -3.161   3.863
   11    HA   VAL   3           HA       VAL   3  -0.113  -4.887   6.286
   12    HB   VAL   3           HB       VAL   3  -1.748  -5.776   3.930
   13   1HG1  VAL   3          HG11      VAL   3  -2.950  -7.053   5.635
   14   2HG1  VAL   3          HG12      VAL   3  -1.222  -7.372   5.729
   15   3HG1  VAL   3          HG13      VAL   3  -1.982  -6.287   6.918
   16   1HG2  VAL   3          HG21      VAL   3  -2.929  -4.041   6.143
   17   2HG2  VAL   3          HG22      VAL   3  -2.863  -3.630   4.412
   18   3HG2  VAL   3          HG23      VAL   3  -3.853  -4.987   4.950
   19    H    SER   4           H        SER   4   0.909  -6.937   5.853
   20    HA   SER   4           HA       SER   4   2.548  -7.151   3.398
   21   1HB   SER   4          HB2       SER   4   3.576  -7.165   6.271
   22   2HB   SER   4          HB3       SER   4   4.542  -7.514   4.833
   23    HG   SER   4           HG       SER   4   4.737  -5.329   5.573
   24    H    ILE   5           H        ILE   5   3.429  -9.277   3.166
   25    HA   ILE   5           HA       ILE   5   1.657 -11.423   4.013
   26    HB   ILE   5           HB       ILE   5   4.275 -11.375   2.430
   27   1HG1  ILE   5          HG12      ILE   5   2.317 -12.182   0.666
   28   2HG1  ILE   5          HG13      ILE   5   1.375 -11.100   1.670
   29   1HG2  ILE   5          HG21      ILE   5   3.990 -13.566   3.437
   30   2HG2  ILE   5          HG22      ILE   5   2.290 -13.636   2.867
   31   3HG2  ILE   5          HG23      ILE   5   3.658 -13.680   1.735
   32   1HD1  ILE   5          HD11      ILE   5   3.987 -10.387   0.243
   33   2HD1  ILE   5          HD12      ILE   5   2.350  -9.981  -0.317
   34   3HD1  ILE   5          HD13      ILE   5   2.980  -9.268   1.166
   35    H    GLN   6           H        GLN   6   2.357 -13.209   5.343
   36    HA   GLN   6           HA       GLN   6   4.270 -12.364   7.467
   37   1HB   GLN   6          HB2       GLN   6   2.730 -13.296   9.051
   38   2HB   GLN   6          HB3       GLN   6   1.855 -12.210   7.974
   39   1HG   GLN   6          HG2       GLN   6   1.142 -14.295   6.638
   40   2HG   GLN   6          HG3       GLN   6   1.843 -15.267   7.929
   41   1HE2  GLN   6          HE22      GLN   6  -0.787 -13.103   7.025
   42   2HE2  GLN   6          HE21      GLN   6  -1.783 -13.396   8.433
   43    H    MET   7           H        MET   7   4.159 -14.628   5.017
   44    HA   MET   7           HA       MET   7   5.949 -16.477   6.409
   45   1HB   MET   7          HB2       MET   7   3.826 -17.401   7.068
   46   2HB   MET   7          HB3       MET   7   3.155 -17.217   5.454
   47   1HG   MET   7          HG2       MET   7   3.658 -19.540   6.029
   48   2HG   MET   7          HG3       MET   7   4.488 -18.987   4.592
   49   1HE   MET   7          HE1       MET   7   6.910 -21.677   5.789
   50   2HE   MET   7          HE2       MET   7   5.129 -21.680   5.791
   51   3HE   MET   7          HE3       MET   7   6.010 -20.957   4.431
   52    H    ALA   8           H        ALA   8   7.027 -17.873   4.869
   53    HA   ALA   8           HA       ALA   8   7.579 -16.725   2.280
   54   1HB   ALA   8          HB1       ALA   8   9.300 -17.861   3.589
   55   2HB   ALA   8          HB2       ALA   8   8.349 -19.372   3.560
   56   3HB   ALA   8          HB3       ALA   8   9.019 -18.715   2.054
   57    H    GLY   9           H        GLY   9   6.648 -17.203   0.325
   58   1HA   GLY   9          HA2       GLY   9   5.465 -19.686  -0.335
   59   2HA   GLY   9          HA3       GLY   9   4.210 -18.678   0.383
   60    H    ASN  10           H        ASN  10   3.140 -18.870  -1.570
   61    HA   ASN  10           HA       ASN  10   3.940 -16.929  -3.672
   62   1HB   ASN  10          HB2       ASN  10   2.856 -19.747  -4.121
   63   2HB   ASN  10          HB3       ASN  10   3.008 -18.506  -5.364
   64   1HD2  ASN  10          HD21      ASN  10   4.775 -20.855  -3.388
   65   2HD2  ASN  10          HD22      ASN  10   6.347 -20.560  -4.110
   66    H    LEU  11           H        LEU  11   2.185 -15.675  -4.238
   67    HA   LEU  11           HA       LEU  11   0.029 -15.726  -2.314
   68   1HB   LEU  11          HB2       LEU  11   1.493 -13.753  -3.158
   69   2HB   LEU  11          HB3       LEU  11   0.470 -13.757  -4.574
   70    HG   LEU  11           HG       LEU  11  -1.523 -13.383  -3.068
   71   1HD1  LEU  11          HD11      LEU  11   0.638 -13.227  -0.912
   72   2HD1  LEU  11          HD12      LEU  11  -0.971 -12.533  -0.718
   73   3HD1  LEU  11          HD13      LEU  11  -0.799 -14.276  -0.927
   74   1HD2  LEU  11          HD21      LEU  11  -0.985 -11.025  -2.627
   75   2HD2  LEU  11          HD22      LEU  11   0.753 -11.377  -2.711
   76   3HD2  LEU  11          HD23      LEU  11  -0.261 -11.515  -4.164
   77    H    TRP  12           H        TRP  12  -0.605 -17.811  -3.242
   78    HA   TRP  12           HA       TRP  12  -1.581 -18.730  -5.498
   79   1HB   TRP  12          HB2       TRP  12  -1.547 -19.964  -3.487
   80   2HB   TRP  12          HB3       TRP  12  -2.688 -18.900  -2.697
   81    HD1  TRP  12           HD1      TRP  12  -4.196 -20.006  -5.932
   82    HE1  TRP  12           HE1      TRP  12  -5.905 -21.835  -5.507
   83    HE3  TRP  12           HE3      TRP  12  -2.925 -21.160  -1.137
   84    HZ2  TRP  12           HZ2      TRP  12  -6.834 -23.404  -3.242
   85    HZ3  TRP  12           HZ3      TRP  12  -4.265 -22.755   0.154
   86    HH2  TRP  12           HH2      TRP  12  -6.248 -23.878  -0.862
   87    H    LYS  13           H        LYS  13  -3.630 -16.522  -3.476
   88    HA   LYS  13           HA       LYS  13  -4.972 -15.691  -5.927
   89   1HB   LYS  13          HB2       LYS  13  -6.541 -16.879  -3.621
   90   2HB   LYS  13          HB3       LYS  13  -7.230 -15.774  -4.825
   91   1HG   LYS  13          HG2       LYS  13  -6.509 -17.325  -6.653
   92   2HG   LYS  13          HG3       LYS  13  -6.022 -18.492  -5.420
   93   1HD   LYS  13          HD2       LYS  13  -8.846 -17.435  -5.844
   94   2HD   LYS  13          HD3       LYS  13  -8.222 -19.011  -6.366
   95   1HE   LYS  13          HE2       LYS  13  -7.654 -19.529  -3.978
   96   2HE   LYS  13          HE3       LYS  13  -8.431 -18.016  -3.492
   97   1HZ   LYS  13          HZ1       LYS  13  -9.950 -19.896  -3.274
   98   2HZ   LYS  13          HZ2       LYS  13 -10.523 -18.883  -4.415
   99   3HZ   LYS  13          HZ3       LYS  13  -9.797 -20.281  -4.848
  100    H    VAL  14           H        VAL  14  -6.117 -13.705  -5.655
  101    HA   VAL  14           HA       VAL  14  -5.486 -12.121  -3.255
  102    HB   VAL  14           HB       VAL  14  -4.786 -11.372  -6.133
  103   1HG1  VAL  14          HG11      VAL  14  -4.011  -9.207  -5.197
  104   2HG1  VAL  14          HG12      VAL  14  -5.755  -9.393  -5.052
  105   3HG1  VAL  14          HG13      VAL  14  -4.713  -9.640  -3.620
  106   1HG2  VAL  14          HG21      VAL  14  -3.029 -12.698  -5.021
  107   2HG2  VAL  14          HG22      VAL  14  -2.511 -11.012  -5.136
  108   3HG2  VAL  14          HG23      VAL  14  -3.119 -11.646  -3.595
  109    H    HIS  15           H        HIS  15  -7.069 -10.644  -2.869
  110    HA   HIS  15           HA       HIS  15  -9.582 -10.806  -4.474
  111   1HB   HIS  15          HB2       HIS  15  -9.357 -11.123  -1.458
  112   2HB   HIS  15          HB3       HIS  15 -10.815 -11.291  -2.433
  113    HD1  HIS  15           HD1      HIS  15 -10.527 -13.488  -4.348
  114    HD2  HIS  15           HD2      HIS  15  -8.129 -13.332  -0.895
  115    HE1  HIS  15           HE1      HIS  15  -9.556 -15.824  -4.034
  116    H    VAL  16           H        VAL  16  -7.375  -8.689  -3.782
  117    HA   VAL  16           HA       VAL  16  -9.228  -6.484  -3.050
  118    HB   VAL  16           HB       VAL  16  -6.996  -5.336  -2.383
  119   1HG1  VAL  16          HG11      VAL  16  -7.207  -6.157  -0.088
  120   2HG1  VAL  16          HG12      VAL  16  -8.792  -5.911  -0.839
  121   3HG1  VAL  16          HG13      VAL  16  -8.155  -7.557  -0.678
  122   1HG2  VAL  16          HG21      VAL  16  -6.069  -8.218  -1.968
  123   2HG2  VAL  16          HG22      VAL  16  -5.461  -7.134  -3.237
  124   3HG2  VAL  16          HG23      VAL  16  -5.204  -6.752  -1.530
  125    H    LYS  17           H        LYS  17  -8.770  -4.478  -4.104
  126    HA   LYS  17           HA       LYS  17  -6.986  -4.482  -6.417
  127   1HB   LYS  17          HB2       LYS  17  -9.983  -3.823  -6.548
  128   2HB   LYS  17          HB3       LYS  17  -8.807  -3.345  -7.775
  129   1HG   LYS  17          HG2       LYS  17  -8.335  -5.693  -8.306
  130   2HG   LYS  17          HG3       LYS  17  -9.427  -6.230  -7.022
  131   1HD   LYS  17          HD2       LYS  17 -10.491  -6.407  -9.215
  132   2HD   LYS  17          HD3       LYS  17 -11.355  -5.286  -8.154
  133   1HE   LYS  17          HE2       LYS  17 -10.326  -3.360  -9.297
  134   2HE   LYS  17          HE3       LYS  17  -9.368  -4.448 -10.314
  135   1HZ   LYS  17          HZ1       LYS  17 -12.327  -4.268 -10.331
  136   2HZ   LYS  17          HZ2       LYS  17 -11.335  -3.655 -11.466
  137   3HZ   LYS  17          HZ3       LYS  17 -11.441  -5.268 -11.273
  138    H    ALA  18           H        ALA  18  -6.542  -2.154  -6.973
  139    HA   ALA  18           HA       ALA  18  -6.554  -0.291  -4.819
  140   1HB   ALA  18          HB1       ALA  18  -5.074  -0.056  -6.776
  141   2HB   ALA  18          HB2       ALA  18  -6.487   0.218  -7.827
  142   3HB   ALA  18          HB3       ALA  18  -6.076   1.393  -6.563
  143    H    GLY  19           H        GLY  19  -8.083   1.133  -4.080
  144   1HA   GLY  19          HA2       GLY  19  -9.986   2.394  -4.021
  145   2HA   GLY  19          HA3       GLY  19 -10.477   1.792  -5.606
  146    H    ASP  20           H        ASP  20  -9.906  -1.087  -4.026
  147    HA   ASP  20           HA       ASP  20 -12.720  -1.477  -3.397
  148   1HB   ASP  20          HB2       ASP  20 -11.216  -3.240  -4.354
  149   2HB   ASP  20          HB3       ASP  20 -10.332  -3.268  -2.821
  150    H    GLN  21           H        GLN  21 -13.453  -2.274  -1.241
  151    HA   GLN  21           HA       GLN  21 -12.228  -0.729   1.006
  152   1HB   GLN  21          HB2       GLN  21 -14.627  -0.342   0.524
  153   2HB   GLN  21          HB3       GLN  21 -14.938  -2.071   0.617
  154   1HG   GLN  21          HG2       GLN  21 -15.727  -1.137   2.638
  155   2HG   GLN  21          HG3       GLN  21 -14.282  -2.026   3.056
  156   1HE2  GLN  21          HE22      GLN  21 -12.881  -0.892   4.464
  157   2HE2  GLN  21          HE21      GLN  21 -12.904   0.847   4.633
  158    H    ILE  22           H        ILE  22 -11.354  -1.852   2.760
  159    HA   ILE  22           HA       ILE  22 -11.998  -4.720   3.094
  160    HB   ILE  22           HB       ILE  22  -9.722  -5.264   3.701
  161   1HG1  ILE  22          HG12      ILE  22  -8.841  -2.500   2.766
  162   2HG1  ILE  22          HG13      ILE  22  -8.969  -3.002   4.458
  163   1HG2  ILE  22          HG21      ILE  22  -9.756  -4.034   0.922
  164   2HG2  ILE  22          HG22      ILE  22  -8.736  -5.357   1.508
  165   3HG2  ILE  22          HG23      ILE  22 -10.478  -5.595   1.367
  166   1HD1  ILE  22          HD11      ILE  22  -7.348  -4.900   3.885
  167   2HD1  ILE  22          HD12      ILE  22  -7.045  -4.045   2.360
  168   3HD1  ILE  22          HD13      ILE  22  -6.698  -3.264   3.925
  169    H    GLU  23           H        GLU  23 -11.234  -5.458   5.297
  170    HA   GLU  23           HA       GLU  23 -11.723  -3.532   7.441
  171   1HB   GLU  23          HB2       GLU  23 -13.966  -4.151   6.500
  172   2HB   GLU  23          HB3       GLU  23 -13.547  -5.854   6.649
  173   1HG   GLU  23          HG2       GLU  23 -14.978  -5.355   8.443
  174   2HG   GLU  23          HG3       GLU  23 -13.376  -5.542   9.141
  175    H    LYS  24           H        LYS  24 -10.722  -4.443   9.335
  176    HA   LYS  24           HA       LYS  24  -8.790  -6.429   9.016
  177   1HB   LYS  24          HB2       LYS  24  -8.806  -4.740  10.814
  178   2HB   LYS  24          HB3       LYS  24 -10.187  -5.531  11.573
  179   1HG   LYS  24          HG2       LYS  24  -8.745  -7.619  11.825
  180   2HG   LYS  24          HG3       LYS  24  -7.393  -6.680  11.188
  181   1HD   LYS  24          HD2       LYS  24  -7.833  -5.020  13.140
  182   2HD   LYS  24          HD3       LYS  24  -8.958  -6.235  13.759
  183   1HE   LYS  24          HE2       LYS  24  -7.076  -6.918  14.899
  184   2HE   LYS  24          HE3       LYS  24  -6.886  -7.877  13.430
  185   1HZ   LYS  24          HZ1       LYS  24  -5.349  -5.578  14.337
  186   2HZ   LYS  24          HZ2       LYS  24  -4.841  -6.902  13.490
  187   3HZ   LYS  24          HZ3       LYS  24  -5.577  -5.693  12.717
  188    H    GLY  25           H        GLY  25  -8.931  -8.596   8.784
  189   1HA   GLY  25          HA2       GLY  25  -9.689 -10.755   9.393
  190   2HA   GLY  25          HA3       GLY  25 -11.235 -10.096   9.917
  191    H    GLN  26           H        GLN  26 -10.836  -8.536   6.997
  192    HA   GLN  26           HA       GLN  26 -12.508 -10.441   5.550
  193   1HB   GLN  26          HB2       GLN  26 -12.519  -7.787   5.570
  194   2HB   GLN  26          HB3       GLN  26 -11.240  -7.947   4.370
  195   1HG   GLN  26          HG2       GLN  26 -14.110  -8.985   4.234
  196   2HG   GLN  26          HG3       GLN  26 -13.441  -7.625   3.334
  197   1HE2  GLN  26          HE22      GLN  26 -11.596  -8.171   1.756
  198   2HE2  GLN  26          HE21      GLN  26 -11.471  -9.805   1.138
  199    H    GLU  27           H        GLU  27 -11.739 -11.728   3.834
  200    HA   GLU  27           HA       GLU  27  -8.920 -12.475   3.863
  201   1HB   GLU  27          HB2       GLU  27 -10.750 -14.109   3.703
  202   2HB   GLU  27          HB3       GLU  27 -11.262 -13.416   2.163
  203   1HG   GLU  27          HG2       GLU  27  -9.112 -14.077   1.130
  204   2HG   GLU  27          HG3       GLU  27  -8.521 -14.652   2.691
  205    H    VAL  28           H        VAL  28  -7.412 -11.274   2.773
  206    HA   VAL  28           HA       VAL  28  -8.289  -9.804   0.339
  207    HB   VAL  28           HB       VAL  28  -6.329  -8.370   0.767
  208   1HG1  VAL  28          HG11      VAL  28  -8.665  -7.829   1.556
  209   2HG1  VAL  28          HG12      VAL  28  -8.251  -8.506   3.129
  210   3HG1  VAL  28          HG13      VAL  28  -7.376  -7.080   2.519
  211   1HG2  VAL  28          HG21      VAL  28  -6.143  -9.725   3.488
  212   2HG2  VAL  28          HG22      VAL  28  -4.951  -9.901   2.183
  213   3HG2  VAL  28          HG23      VAL  28  -5.223  -8.321   2.933
  214    H    ALA  29           H        ALA  29  -6.043 -12.333   1.484
  215    HA   ALA  29           HA       ALA  29  -5.699 -13.074  -1.294
  216   1HB   ALA  29          HB1       ALA  29  -3.257 -12.302   0.382
  217   2HB   ALA  29          HB2       ALA  29  -3.227 -13.091  -1.206
  218   3HB   ALA  29          HB3       ALA  29  -3.845 -11.444  -1.054
  219    H    ILE  30           H        ILE  30  -4.161 -15.089  -1.255
  220    HA   ILE  30           HA       ILE  30  -4.303 -16.621   1.307
  221    HB   ILE  30           HB       ILE  30  -5.041 -17.801  -1.412
  222   1HG1  ILE  30          HG12      ILE  30  -6.869 -17.176   0.957
  223   2HG1  ILE  30          HG13      ILE  30  -6.887 -16.385  -0.622
  224   1HG2  ILE  30          HG21      ILE  30  -3.874 -19.371   0.109
  225   2HG2  ILE  30          HG22      ILE  30  -5.048 -19.022   1.391
  226   3HG2  ILE  30          HG23      ILE  30  -5.535 -19.849  -0.110
  227   1HD1  ILE  30          HD11      ILE  30  -8.672 -17.915  -0.695
  228   2HD1  ILE  30          HD12      ILE  30  -7.373 -18.664  -1.655
  229   3HD1  ILE  30          HD13      ILE  30  -7.710 -19.231  -0.003
  230    H    LEU  31           H        LEU  31  -2.460 -17.880   1.546
  231    HA   LEU  31           HA       LEU  31  -0.275 -17.681  -0.461
  232   1HB   LEU  31          HB2       LEU  31  -0.402 -18.334   2.502
  233   2HB   LEU  31          HB3       LEU  31   0.988 -18.798   1.541
  234    HG   LEU  31           HG       LEU  31   0.020 -15.949   1.964
  235   1HD1  LEU  31          HD11      LEU  31   2.096 -15.788   3.336
  236   2HD1  LEU  31          HD12      LEU  31   1.068 -17.087   3.951
  237   3HD1  LEU  31          HD13      LEU  31   2.488 -17.472   2.961
  238   1HD2  LEU  31          HD21      LEU  31   1.073 -16.019  -0.212
  239   2HD2  LEU  31          HD22      LEU  31   2.232 -15.359   0.939
  240   3HD2  LEU  31          HD23      LEU  31   2.392 -17.045   0.402
  241    H    GLU  32           H        GLU  32   0.170 -19.358  -1.538
  242    HA   GLU  32           HA       GLU  32  -0.191 -22.103  -0.513
  243   1HB   GLU  32          HB2       GLU  32  -0.411 -22.017  -2.919
  244   2HB   GLU  32          HB3       GLU  32   0.919 -20.885  -3.091
  245   1HG   GLU  32          HG2       GLU  32   1.613 -23.541  -1.860
  246   2HG   GLU  32          HG3       GLU  32   1.074 -23.565  -3.529
  247    H    SER  33           H        SER  33   1.614 -22.910   0.509
  248    HA   SER  33           HA       SER  33   4.097 -21.280   0.641
  249   1HB   SER  33          HB2       SER  33   2.210 -22.044   2.859
  250   2HB   SER  33          HB3       SER  33   3.955 -22.007   3.177
  251    HG   SER  33           HG       SER  33   4.001 -19.867   2.589
  252    H    MET  34           H        MET  34   4.698 -22.904  -0.908
  253    HA   MET  34           HA       MET  34   5.723 -24.820  -1.526
  254   1HB   MET  34          HB2       MET  34   6.818 -24.668   1.317
  255   2HB   MET  34          HB3       MET  34   7.499 -25.602  -0.016
  256   1HG   MET  34          HG2       MET  34   8.814 -23.697   0.027
  257   2HG   MET  34          HG3       MET  34   7.710 -23.424  -1.315
  258   1HE   MET  34          HE1       MET  34   9.472 -21.097  -0.308
  259   2HE   MET  34          HE2       MET  34   8.195 -20.899  -1.532
  260   3HE   MET  34          HE3       MET  34   8.295 -19.773  -0.163
  261    H    LYS  35           H        BTL  35   3.227 -25.341  -1.151
  262    HA   LYS  35           HA       BTL  35   1.855 -27.007  -1.340
  263   1HB   LYS  35          HB2       BTL  35   3.660 -28.976   0.094
  264   2HB   LYS  35          HB3       BTL  35   2.250 -29.299  -0.900
  265   1HG   LYS  35          HG2       BTL  35   3.596 -28.123  -2.827
  266   2HG   LYS  35          HG3       BTL  35   4.987 -28.350  -1.782
  267   1HD   LYS  35          HD2       BTL  35   4.991 -30.204  -3.252
  268   2HD   LYS  35          HD3       BTL  35   4.459 -30.825  -1.688
  269   1HE   LYS  35          HE2       BTL  35   3.125 -31.806  -3.489
  270   2HE   LYS  35          HE3       BTL  35   2.081 -30.763  -2.509
  271   1HZ   LYS  35          HZ1       BTL  35   3.339 -29.407  -4.743
  272    H    MET  36           H        MET  36   2.270 -25.230   1.192
  273    HA   MET  36           HA       MET  36   0.138 -26.568   2.793
  274   1HB   MET  36          HB2       MET  36   2.089 -24.399   3.654
  275   2HB   MET  36          HB3       MET  36   0.864 -25.174   4.654
  276   1HG   MET  36          HG2       MET  36   2.002 -27.348   4.403
  277   2HG   MET  36          HG3       MET  36   3.259 -26.596   3.421
  278   1HE   MET  36          HE1       MET  36   5.141 -25.073   4.251
  279   2HE   MET  36          HE2       MET  36   3.986 -23.862   4.852
  280   3HE   MET  36          HE3       MET  36   5.292 -24.441   5.906
  281    H    GLU  37           H        GLU  37  -1.313 -24.810   3.814
  282    HA   GLU  37           HA       GLU  37  -2.034 -22.778   1.763
  283   1HB   GLU  37          HB2       GLU  37  -4.402 -23.523   2.169
  284   2HB   GLU  37          HB3       GLU  37  -3.387 -24.655   1.268
  285   1HG   GLU  37          HG2       GLU  37  -3.142 -26.050   3.315
  286   2HG   GLU  37          HG3       GLU  37  -4.171 -24.924   4.202
  287    H    ILE  38           H        ILE  38  -2.406 -20.791   2.655
  288    HA   ILE  38           HA       ILE  38  -3.231 -20.627   5.498
  289    HB   ILE  38           HB       ILE  38  -0.925 -18.951   4.477
  290   1HG1  ILE  38          HG12      ILE  38  -0.567 -21.537   6.039
  291   2HG1  ILE  38          HG13      ILE  38  -0.151 -21.310   4.332
  292   1HG2  ILE  38          HG21      ILE  38  -2.245 -18.185   6.454
  293   2HG2  ILE  38          HG22      ILE  38  -1.797 -19.680   7.300
  294   3HG2  ILE  38          HG23      ILE  38  -0.559 -18.489   6.836
  295   1HD1  ILE  38          HD11      ILE  38   1.184 -19.932   6.663
  296   2HD1  ILE  38          HD12      ILE  38   1.852 -21.140   5.551
  297   3HD1  ILE  38          HD13      ILE  38   1.443 -19.524   4.944
  298    HA   PRO  39           HA       PRO  39  -5.555 -17.375   3.216
  299   1HB   PRO  39          HB2       PRO  39  -7.140 -16.496   5.289
  300   2HB   PRO  39          HB3       PRO  39  -7.491 -17.998   4.354
  301   1HG   PRO  39          HG2       PRO  39  -6.079 -17.693   7.002
  302   2HG   PRO  39          HG3       PRO  39  -7.361 -18.872   6.562
  303   1HD   PRO  39          HD2       PRO  39  -4.693 -19.495   6.596
  304   2HD   PRO  39          HD3       PRO  39  -5.814 -20.230   5.404
  305    H    ILE  40           H        ILE  40  -5.320 -15.105   3.182
  306    HA   ILE  40           HA       ILE  40  -3.729 -13.854   5.365
  307    HB   ILE  40           HB       ILE  40  -3.635 -13.083   2.439
  308   1HG1  ILE  40          HG12      ILE  40  -2.691 -15.317   2.546
  309   2HG1  ILE  40          HG13      ILE  40  -1.455 -14.130   2.224
  310   1HG2  ILE  40          HG21      ILE  40  -1.885 -12.329   4.816
  311   2HG2  ILE  40          HG22      ILE  40  -1.582 -11.867   3.131
  312   3HG2  ILE  40          HG23      ILE  40  -3.032 -11.282   3.960
  313   1HD1  ILE  40          HD11      ILE  40  -0.379 -14.486   4.256
  314   2HD1  ILE  40          HD12      ILE  40  -1.850 -14.986   5.104
  315   3HD1  ILE  40          HD13      ILE  40  -1.092 -16.097   3.973
  316    H    VAL  41           H        VAL  41  -5.430 -13.165   6.481
  317    HA   VAL  41           HA       VAL  41  -7.558 -11.589   5.199
  318    HB   VAL  41           HB       VAL  41  -8.327 -11.436   7.648
  319   1HG1  VAL  41          HG11      VAL  41  -8.281 -14.136   6.212
  320   2HG1  VAL  41          HG12      VAL  41  -9.358 -13.716   7.562
  321   3HG1  VAL  41          HG13      VAL  41  -9.490 -12.846   6.041
  322   1HG2  VAL  41          HG21      VAL  41  -6.147 -12.304   8.668
  323   2HG2  VAL  41          HG22      VAL  41  -7.603 -13.160   9.194
  324   3HG2  VAL  41          HG23      VAL  41  -6.548 -13.910   7.986
  325    H    ALA  42           H        ALA  42  -7.825  -9.369   5.681
  326    HA   ALA  42           HA       ALA  42  -5.446  -7.844   5.824
  327   1HB   ALA  42          HB1       ALA  42  -6.957  -5.933   5.987
  328   2HB   ALA  42          HB2       ALA  42  -7.591  -7.073   4.796
  329   3HB   ALA  42          HB3       ALA  42  -8.316  -6.991   6.409
  330    H    ASP  43           H        ASP  43  -4.336  -7.135   7.549
  331    HA   ASP  43           HA       ASP  43  -5.313  -7.597  10.287
  332   1HB   ASP  43          HB2       ASP  43  -2.965  -8.053   9.649
  333   2HB   ASP  43          HB3       ASP  43  -2.734  -6.335   9.303
  334    H    ARG  44           H        ARG  44  -5.948  -5.181   8.052
  335    HA   ARG  44           HA       ARG  44  -6.544  -3.179  10.139
  336   1HB   ARG  44          HB2       ARG  44  -4.767  -2.746   7.672
  337   2HB   ARG  44          HB3       ARG  44  -5.677  -1.437   8.384
  338   1HG   ARG  44          HG2       ARG  44  -3.666  -1.109   9.272
  339   2HG   ARG  44          HG3       ARG  44  -4.502  -1.895  10.598
  340   1HD   ARG  44          HD2       ARG  44  -3.102  -3.745  10.533
  341   2HD   ARG  44          HD3       ARG  44  -2.840  -3.632   8.779
  342    HE   ARG  44           HE       ARG  44  -1.645  -1.364   9.660
  343   1HH1  ARG  44          HH11      ARG  44  -1.147  -4.688  10.929
  344   2HH1  ARG  44          HH12      ARG  44   0.560  -4.460  11.044
  345   1HH2  ARG  44          HH21      ARG  44   0.448  -1.057  10.019
  346   2HH2  ARG  44          HH22      ARG  44   1.501  -2.313  10.612
  347    H    SER  45           H        SER  45  -7.824  -1.338   9.033
  348    HA   SER  45           HA       SER  45  -9.697  -2.434   6.989
  349   1HB   SER  45          HB2       SER  45 -10.350  -0.542   9.295
  350   2HB   SER  45          HB3       SER  45 -11.484  -1.299   8.165
  351    HG   SER  45           HG       SER  45 -11.632  -2.642   9.775
  352    H    GLY  46           H        GLY  46 -10.410  -0.908   5.416
  353   1HA   GLY  46          HA2       GLY  46 -10.367   1.792   5.356
  354   2HA   GLY  46          HA3       GLY  46  -8.662   1.415   5.050
  355    H    ILE  47           H        ILE  47  -9.629   2.696   3.040
  356    HA   ILE  47           HA       ILE  47 -10.552   0.760   0.992
  357    HB   ILE  47           HB       ILE  47 -10.115   3.767   0.945
  358   1HG1  ILE  47          HG12      ILE  47 -12.545   1.920   0.705
  359   2HG1  ILE  47          HG13      ILE  47 -12.155   2.963   2.072
  360   1HG2  ILE  47          HG21      ILE  47  -9.398   2.837  -1.240
  361   2HG2  ILE  47          HG22      ILE  47 -10.938   1.956  -1.366
  362   3HG2  ILE  47          HG23      ILE  47 -10.895   3.733  -1.399
  363   1HD1  ILE  47          HD11      ILE  47 -13.060   3.836  -0.684
  364   2HD1  ILE  47          HD12      ILE  47 -13.914   3.988   0.858
  365   3HD1  ILE  47          HD13      ILE  47 -12.449   4.957   0.568
  366    H    VAL  48           H        VAL  48  -9.157  -0.066  -0.494
  367    HA   VAL  48           HA       VAL  48  -6.336  -0.117   0.108
  368    HB   VAL  48           HB       VAL  48  -7.955  -1.122  -2.265
  369   1HG1  VAL  48          HG11      VAL  48  -5.630  -0.962  -2.938
  370   2HG1  VAL  48          HG12      VAL  48  -5.078  -1.657  -1.413
  371   3HG1  VAL  48          HG13      VAL  48  -5.969  -2.656  -2.595
  372   1HG2  VAL  48          HG21      VAL  48  -7.753  -3.357  -1.199
  373   2HG2  VAL  48          HG22      VAL  48  -6.993  -2.604   0.222
  374   3HG2  VAL  48          HG23      VAL  48  -8.673  -2.235  -0.199
  375    H    LYS  49           H        LYS  49  -4.765   1.192  -0.693
  376    HA   LYS  49           HA       LYS  49  -5.447   3.220  -2.758
  377   1HB   LYS  49          HB2       LYS  49  -4.296   3.986  -0.715
  378   2HB   LYS  49          HB3       LYS  49  -3.001   2.811  -0.988
  379   1HG   LYS  49          HG2       LYS  49  -2.472   3.973  -3.159
  380   2HG   LYS  49          HG3       LYS  49  -3.699   5.196  -2.756
  381   1HD   LYS  49          HD2       LYS  49  -2.464   5.776  -0.701
  382   2HD   LYS  49          HD3       LYS  49  -1.345   4.427  -0.982
  383   1HE   LYS  49          HE2       LYS  49  -0.592   5.512  -3.096
  384   2HE   LYS  49          HE3       LYS  49  -1.609   6.912  -2.724
  385   1HZ   LYS  49          HZ1       LYS  49  -0.295   7.280  -0.746
  386   2HZ   LYS  49          HZ2       LYS  49   0.554   5.891  -0.960
  387   3HZ   LYS  49          HZ3       LYS  49   0.735   7.151  -2.006
  388    H    GLU  50           H        GLU  50  -3.210   0.410  -2.029
  389    HA   GLU  50           HA       GLU  50  -3.028  -0.108  -4.905
  390   1HB   GLU  50          HB2       GLU  50  -1.220   1.596  -4.371
  391   2HB   GLU  50          HB3       GLU  50  -0.565   0.457  -3.186
  392   1HG   GLU  50          HG2       GLU  50   0.702   0.494  -5.274
  393   2HG   GLU  50          HG3       GLU  50   0.075  -1.098  -4.893
  394    H    VAL  51           H        VAL  51  -2.126  -2.218  -5.303
  395    HA   VAL  51           HA       VAL  51  -1.893  -3.992  -2.912
  396    HB   VAL  51           HB       VAL  51  -2.744  -4.915  -5.682
  397   1HG1  VAL  51          HG11      VAL  51  -3.401  -6.940  -4.488
  398   2HG1  VAL  51          HG12      VAL  51  -1.716  -6.581  -4.100
  399   3HG1  VAL  51          HG13      VAL  51  -2.982  -6.207  -2.921
  400   1HG2  VAL  51          HG21      VAL  51  -5.039  -5.154  -4.823
  401   2HG2  VAL  51          HG22      VAL  51  -4.576  -4.330  -3.320
  402   3HG2  VAL  51          HG23      VAL  51  -4.567  -3.455  -4.869
  403    H    LYS  52           H        LYS  52   0.200  -4.530  -2.658
  404    HA   LYS  52           HA       LYS  52   2.143  -3.613  -4.640
  405   1HB   LYS  52          HB2       LYS  52   2.483  -4.949  -1.914
  406   2HB   LYS  52          HB3       LYS  52   3.767  -4.202  -2.856
  407   1HG   LYS  52          HG2       LYS  52   1.368  -2.700  -1.723
  408   2HG   LYS  52          HG3       LYS  52   2.970  -2.776  -0.995
  409   1HD   LYS  52          HD2       LYS  52   3.972  -1.678  -2.962
  410   2HD   LYS  52          HD3       LYS  52   2.372  -1.586  -3.743
  411   1HE   LYS  52          HE2       LYS  52   1.505  -0.216  -1.937
  412   2HE   LYS  52          HE3       LYS  52   3.016  -0.366  -1.031
  413   1HZ   LYS  52          HZ1       LYS  52   2.767   0.991  -3.656
  414   2HZ   LYS  52          HZ2       LYS  52   2.808   1.724  -2.187
  415   3HZ   LYS  52          HZ3       LYS  52   4.124   0.907  -2.736
  416    H    LYS  53           H        LYS  53   0.435  -6.411  -4.552
  417    HA   LYS  53           HA       LYS  53   2.465  -7.983  -5.967
  418   1HB   LYS  53          HB2       LYS  53   1.007  -9.024  -3.486
  419   2HB   LYS  53          HB3       LYS  53   1.947 -10.037  -4.592
  420   1HG   LYS  53          HG2       LYS  53   3.112  -7.780  -2.921
  421   2HG   LYS  53          HG3       LYS  53   3.139  -9.484  -2.505
  422   1HD   LYS  53          HD2       LYS  53   4.404  -9.998  -4.596
  423   2HD   LYS  53          HD3       LYS  53   4.454  -8.281  -4.991
  424   1HE   LYS  53          HE2       LYS  53   5.714  -9.666  -2.602
  425   2HE   LYS  53          HE3       LYS  53   6.550  -8.946  -3.971
  426   1HZ   LYS  53          HZ1       LYS  53   4.953  -7.465  -1.957
  427   2HZ   LYS  53          HZ2       LYS  53   6.574  -7.569  -1.990
  428   3HZ   LYS  53          HZ3       LYS  53   5.788  -6.778  -3.220
  429    H    LYS  54           H        LYS  54   1.134 -10.218  -6.513
  430    HA   LYS  54           HA       LYS  54  -1.610  -9.577  -7.334
  431   1HB   LYS  54          HB2       LYS  54  -1.077 -10.105  -9.718
  432   2HB   LYS  54          HB3       LYS  54  -0.332  -8.611  -9.152
  433   1HG   LYS  54          HG2       LYS  54   1.831  -9.811  -8.836
  434   2HG   LYS  54          HG3       LYS  54   1.089 -11.297  -9.461
  435   1HD   LYS  54          HD2       LYS  54   0.675 -10.199 -11.618
  436   2HD   LYS  54          HD3       LYS  54   1.334  -8.676 -11.011
  437   1HE   LYS  54          HE2       LYS  54   2.894 -11.297 -11.225
  438   2HE   LYS  54          HE3       LYS  54   2.918 -10.012 -12.434
  439   1HZ   LYS  54          HZ1       LYS  54   4.801  -9.792 -11.014
  440   2HZ   LYS  54          HZ2       LYS  54   3.828  -8.525 -10.715
  441   3HZ   LYS  54          HZ3       LYS  54   3.922  -9.774  -9.643
  442    H    GLU  55           H        GLU  55  -2.643 -11.502  -8.263
  443    HA   GLU  55           HA       GLU  55  -2.353 -13.881  -6.860
  444   1HB   GLU  55          HB2       GLU  55  -4.315 -13.201  -8.165
  445   2HB   GLU  55          HB3       GLU  55  -3.407 -13.363  -9.675
  446   1HG   GLU  55          HG2       GLU  55  -3.148 -15.824  -9.184
  447   2HG   GLU  55          HG3       GLU  55  -4.142 -15.593  -7.753
  448    H    GLY  56           H        GLY  56  -0.770 -15.293  -6.761
  449   1HA   GLY  56          HA2       GLY  56   0.544 -17.016  -7.537
  450   2HA   GLY  56          HA3       GLY  56   0.483 -16.368  -9.179
  451    H    ASP  57           H        ASP  57   1.365 -13.751  -7.180
  452    HA   ASP  57           HA       ASP  57   4.081 -13.842  -8.157
  453   1HB   ASP  57          HB2       ASP  57   2.514 -11.810  -7.554
  454   2HB   ASP  57          HB3       ASP  57   3.197 -11.988  -5.944
  455    H    PHE  58           H        PHE  58   5.987 -13.660  -6.675
  456    HA   PHE  58           HA       PHE  58   5.912 -15.796  -4.607
  457   1HB   PHE  58          HB2       PHE  58   7.741 -15.837  -6.261
  458   2HB   PHE  58          HB3       PHE  58   8.205 -14.196  -5.823
  459    HD1  PHE  58           HD1      PHE  58   7.882 -17.682  -4.464
  460    HD2  PHE  58           HD2      PHE  58   9.665 -13.785  -3.956
  461    HE1  PHE  58           HE1      PHE  58   9.328 -18.576  -2.659
  462    HE2  PHE  58           HE2      PHE  58  11.107 -14.685  -2.149
  463    HZ   PHE  58           HZ       PHE  58  10.951 -17.083  -1.505
  464    H    VAL  59           H        VAL  59   6.263 -15.311  -2.414
  465    HA   VAL  59           HA       VAL  59   6.579 -12.502  -1.580
  466    HB   VAL  59           HB       VAL  59   4.502 -12.850  -0.128
  467   1HG1  VAL  59          HG11      VAL  59   4.606 -11.256  -1.965
  468   2HG1  VAL  59          HG12      VAL  59   4.000 -12.494  -3.098
  469   3HG1  VAL  59          HG13      VAL  59   2.986 -11.937  -1.758
  470   1HG2  VAL  59          HG21      VAL  59   3.757 -14.877  -2.288
  471   2HG2  VAL  59          HG22      VAL  59   4.130 -15.268  -0.594
  472   3HG2  VAL  59          HG23      VAL  59   2.718 -14.271  -1.001
  473    H    ASN  60           H        ASN  60   6.734 -12.345   0.850
  474    HA   ASN  60           HA       ASN  60   7.542 -14.802   2.162
  475   1HB   ASN  60          HB2       ASN  60   9.510 -13.233   0.762
  476   2HB   ASN  60          HB3       ASN  60   9.762 -12.954   2.477
  477   1HD2  ASN  60          HD22      ASN  60   8.979 -15.707   0.238
  478   2HD2  ASN  60          HD21      ASN  60  10.091 -16.830   0.989
  479    H    GLU  61           H        GLU  61   8.453 -14.335   4.402
  480    HA   GLU  61           HA       GLU  61   6.512 -12.894   5.885
  481   1HB   GLU  61          HB2       GLU  61   7.885 -14.760   6.756
  482   2HB   GLU  61          HB3       GLU  61   9.337 -13.757   6.644
  483   1HG   GLU  61          HG2       GLU  61   8.296 -12.147   8.274
  484   2HG   GLU  61          HG3       GLU  61   6.902 -13.216   8.399
  485    H    GLY  62           H        GLY  62   6.215 -10.745   5.973
  486   1HA   GLY  62          HA2       GLY  62   6.719  -8.574   6.521
  487   2HA   GLY  62          HA3       GLY  62   8.453  -8.920   6.451
  488    H    ASP  63           H        ASP  63   6.908 -10.095   3.581
  489    HA   ASP  63           HA       ASP  63   8.014  -7.892   1.985
  490   1HB   ASP  63          HB2       ASP  63   8.184 -10.327   1.353
  491   2HB   ASP  63          HB3       ASP  63   6.424 -10.357   1.174
  492    H    VAL  64           H        VAL  64   6.662  -6.389   0.906
  493    HA   VAL  64           HA       VAL  64   4.281  -5.709   2.349
  494    HB   VAL  64           HB       VAL  64   4.107  -3.894   0.628
  495   1HG1  VAL  64          HG11      VAL  64   6.023  -2.650   1.453
  496   2HG1  VAL  64          HG12      VAL  64   5.280  -3.599   2.750
  497   3HG1  VAL  64          HG13      VAL  64   6.801  -4.151   2.011
  498   1HG2  VAL  64          HG21      VAL  64   6.781  -4.928  -0.424
  499   2HG2  VAL  64          HG22      VAL  64   5.231  -5.076  -1.277
  500   3HG2  VAL  64          HG23      VAL  64   5.907  -3.476  -0.941
  501    H    LEU  65           H        LEU  65   2.148  -5.568   1.687
  502    HA   LEU  65           HA       LEU  65   1.337  -7.295  -0.625
  503   1HB   LEU  65          HB2       LEU  65   1.017  -8.424   1.580
  504   2HB   LEU  65          HB3       LEU  65   0.114  -7.041   2.155
  505    HG   LEU  65           HG       LEU  65  -1.654  -7.474   0.454
  506   1HD1  LEU  65          HD11      LEU  65  -0.354  -8.697  -1.249
  507   2HD1  LEU  65          HD12      LEU  65  -0.092 -10.032  -0.101
  508   3HD1  LEU  65          HD13      LEU  65  -1.726  -9.652  -0.683
  509   1HD2  LEU  65          HD21      LEU  65  -0.971  -9.746   2.345
  510   2HD2  LEU  65          HD22      LEU  65  -1.884  -8.274   2.740
  511   3HD2  LEU  65          HD23      LEU  65  -2.566  -9.456   1.612
  512    H    LEU  66           H        LEU  66   0.415  -4.521   1.538
  513    HA   LEU  66           HA       LEU  66  -1.414  -3.483  -0.571
  514   1HB   LEU  66          HB2       LEU  66  -2.040  -4.552   2.183
  515   2HB   LEU  66          HB3       LEU  66  -2.927  -3.149   1.657
  516    HG   LEU  66           HG       LEU  66  -2.874  -5.651  -0.063
  517   1HD1  LEU  66          HD11      LEU  66  -4.787  -4.985   2.217
  518   2HD1  LEU  66          HD12      LEU  66  -4.997  -6.298   1.036
  519   3HD1  LEU  66          HD13      LEU  66  -3.641  -6.340   2.169
  520   1HD2  LEU  66          HD21      LEU  66  -3.692  -3.622  -1.131
  521   2HD2  LEU  66          HD22      LEU  66  -5.073  -4.670  -0.795
  522   3HD2  LEU  66          HD23      LEU  66  -4.758  -3.281   0.248
  523    H    GLU  67           H        GLU  67  -1.799  -1.318  -0.397
  524    HA   GLU  67           HA       GLU  67  -0.737   0.178   1.922
  525   1HB   GLU  67          HB2       GLU  67   0.713   0.426  -0.176
  526   2HB   GLU  67          HB3       GLU  67  -0.672   1.227  -0.937
  527   1HG   GLU  67          HG2       GLU  67  -0.653   2.893   0.951
  528   2HG   GLU  67          HG3       GLU  67   0.783   2.094   1.601
  529    H    LEU  68           H        LEU  68  -2.253   1.665   2.670
  530    HA   LEU  68           HA       LEU  68  -4.946   1.448   1.372
  531   1HB   LEU  68          HB2       LEU  68  -4.355   1.603   4.340
  532   2HB   LEU  68          HB3       LEU  68  -5.907   1.362   3.562
  533    HG   LEU  68           HG       LEU  68  -3.626  -0.637   3.626
  534   1HD1  LEU  68          HD11      LEU  68  -6.367  -0.757   4.944
  535   2HD1  LEU  68          HD12      LEU  68  -5.045  -1.942   5.095
  536   3HD1  LEU  68          HD13      LEU  68  -4.865  -0.319   5.776
  537   1HD2  LEU  68          HD21      LEU  68  -6.396  -0.966   2.410
  538   2HD2  LEU  68          HD22      LEU  68  -4.850  -0.909   1.525
  539   3HD2  LEU  68          HD23      LEU  68  -5.166  -2.243   2.610
  540    H    SER  69           H        SER  69  -6.198   3.269   1.310
  541    HA   SER  69           HA       SER  69  -5.053   5.858   1.495
  542   1HB   SER  69          HB2       SER  69  -7.994   5.075   1.621
  543   2HB   SER  69          HB3       SER  69  -7.309   6.614   1.063
  544    HG   SER  69           HG       SER  69  -7.811   5.292  -0.702
  545    H    ASN  70           H        ASN  70  -6.735   3.791   3.841
  546    HA   ASN  70           HA       ASN  70  -6.724   5.857   5.945
  547   1HB   ASN  70          HB2       ASN  70  -8.533   4.173   6.006
  548   2HB   ASN  70          HB3       ASN  70  -7.321   2.879   6.097
  549   1HD2  ASN  70          HD22      ASN  70  -7.946   2.108   8.199
  550   2HD2  ASN  70          HD21      ASN  70  -7.547   3.060   9.637
  551    H    SER  71           H        SER  71  -4.288   6.051   5.097
  552    HA   SER  71           HA       SER  71  -2.389   4.143   6.038
  553   1HB   SER  71          HB2       SER  71  -1.846   7.108   5.802
  554   2HB   SER  71          HB3       SER  71  -0.774   5.741   5.451
  555    HG   SER  71           HG       SER  71  -2.505   5.268   3.748
  556    H    THR  72           H        THR  72  -4.282   6.582   7.686
  557    HA   THR  72           HA       THR  72  -2.875   6.774  10.143
  558    HB   THR  72           HB       THR  72  -5.457   7.298  10.787
  559    HG1  THR  72           HG1      THR  72  -6.354   6.639   8.805
  560   1HG2  THR  72          HG21      THR  72  -5.077   9.610   9.992
  561   2HG2  THR  72          HG22      THR  72  -3.627   8.947  10.759
  562   3HG2  THR  72          HG23      THR  72  -3.718   9.050   8.988
  563    H    GLN  73           H        GLN  73  -4.635   4.133   8.758
  564    HA   GLN  73           HA       GLN  73  -5.288   2.124   9.474
  565   1HB   GLN  73          HB2       GLN  73  -2.775   2.525  11.121
  566   2HB   GLN  73          HB3       GLN  73  -3.565   0.962  10.882
  567   1HG   GLN  73          HG2       GLN  73  -3.100   0.928   8.554
  568   2HG   GLN  73          HG3       GLN  73  -2.758   2.636   8.476
  569   1HE2  GLN  73          HE22      GLN  73  -0.723   3.451   9.037
  570   2HE2  GLN  73          HE21      GLN  73   0.645   2.406   9.393
  571    HN3  BTI 135           HN3      BTL  35  -4.502 -25.536  -1.622
  572    HN2  BTI 135           HN2      BTL  35  -2.568 -25.436  -5.143
  573    H4   BTI 135           H4       BTL  35  -1.362 -24.006  -3.411
  574    H2   BTI 135           H2       BTL  35   0.306 -25.521  -2.708
  575    H62  BTI 135           H62      BTL  35  -0.958 -25.845  -0.449
  576    H63  BTI 135           H63      BTL  35  -2.478 -26.772  -0.424
  577    H5   BTI 135           H5       BTL  35  -2.386 -24.199  -1.324
  578    H72  BTI 135           H72      BTL  35  -0.675 -27.126  -5.069
  579    H73  BTI 135           H73      BTL  35  -0.032 -25.483  -5.275
  580    H82  BTI 135           H82      BTL  35   2.083 -26.046  -4.355
  581    H83  BTI 135           H83      BTL  35   1.516 -27.588  -3.736
  582    H92  BTI 135           H92      BTL  35   1.713 -26.909  -6.704
  583    H93  BTI 135           H93      BTL  35   2.989 -27.699  -5.793
  584   H102  BTI 135          H102      BTL  35   0.213 -28.811  -6.378
  585   H103  BTI 135          H103      BTL  35   1.757 -29.376  -7.015