*HEADER    TRANSPORT PROTEIN                       28-MAR-05   1Z7T              
*TITLE     SOLUTION STRUCTURE OF BACILLUS SUBTILIS BLAP APO-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 SUBSP. SUBTILIS               
*SOURCE   3 STR. 168;                                                            
*SOURCE   4 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET 21A(+)                                
*KEYWDS    BACILLUS SUBTILIS, SINGLE-DOMAIN BIOTIN CARBOXYL CARRIER              
*KEYWDS   2 PROTEIN, SOLUTION STRUCTURE, APO-FORM, STRUCTURAL GENOMICS           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.CUI, B.XIA                                                          
*REVDAT   1   06-JUN-06 1Z7T    0                                                

#   51 VAL  HN           48 VAL  QG1         5.50    (#      0:25  Preassigned    3.80, 4.92 A)
 &rst
  ixpk= 0, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 724, 725, 726,
 &end
#
#   14 VAL  HN           13 LYS  HA          2.80    (#      1:25  Preassigned    2.38, 2.41 A)
 &rst
  ixpk= 1, nxpk= 25, iat= 194, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 VAL  HN           14 VAL  HA          4.50    (#      2:25  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 2, nxpk= 25, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HN           55 GLU  HG+         4.50    (#      3:25  Preassigned    2.07, 2.87 A)
 &rst
  ixpk= 3, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   14 VAL  HN           14 VAL  HB          4.50    (#      4:25  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 4, nxpk= 25, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HN           55 GLU  HG-         4.50    (#      5:25  Preassigned    2.07, 2.87 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   14 VAL  HN           55 GLU  QB          5.50    (#      6:25  Preassigned    4.00, 4.98 A)
 &rst
  ixpk= 6, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 857, 858,
 &end
#
#   14 VAL  HN           55 GLU  QB          5.50    (#      7:25  Preassigned    4.00, 4.98 A)
 &rst
  ixpk= 7, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 857, 858,
 &end
#
#   14 VAL  HN           13 LYS  HD+         5.50    (#      8:25  Preassigned    3.69, 4.66 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   14 VAL  HN           13 LYS  HB3         5.50    (#      9:25  Preassigned    2.42, 2.50 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HB2         5.50    (#     10:25  Preassigned    3.71, 3.77 A)
 &rst
  ixpk= 10, nxpk= 25, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           14 VAL  QG2         4.50    (#     12:25  Preassigned    3.08, 3.89 A)
 &rst
  ixpk= 12, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   38 ILE  HN           38 ILE  HA          4.50    (#     13:25  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 13, nxpk= 25, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HN           30 ILE  HA          5.50    (#     14:25  Preassigned    4.38, 4.43 A)
 &rst
  ixpk= 14, nxpk= 25, iat= 567, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           49 LYS  HA          4.50    (#     15:25  Preassigned    2.89, 2.93 A)
 &rst
  ixpk= 15, nxpk= 25, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HN           48 VAL  HA          2.80    (#     16:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 16, nxpk= 25, iat= 734, 720, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ILE  HN           38 ILE  HB          4.50    (#     17:25  Preassigned    2.64, 2.72 A)
 &rst
  ixpk= 17, nxpk= 25, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HN           37 GLU  HB2         5.50    (#     18:25  Preassigned    3.98, 4.03 A)
 &rst
  ixpk= 18, nxpk= 25, iat= 567, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           37 GLU  HB3         5.50    (#     19:25  Preassigned    2.92, 3.01 A)
 &rst
  ixpk= 19, nxpk= 25, iat= 567, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           49 LYS  HB2         4.50    (#     20:25  Preassigned    2.48, 2.64 A)
 &rst
  ixpk= 20, nxpk= 25, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HN           49 LYS  HB3         4.50    (#     21:25  Preassigned    2.29, 2.45 A)
 &rst
  ixpk= 21, nxpk= 25, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:22       0 AMB  25-1:22     4.50    (#     22:25  Double Ambig)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 567, 734,
 igr2= 577, 578,1047,
 &end
#
#   49 LYS  HN           49 LYS  HG-         5.50    (#     23:25  Preassigned    4.31, 4.49 A)
 &rst
  ixpk= 23, nxpk= 25, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 741, 742,
 &end
#
#   38 ILE  HN           38 ILE  HG1-        5.50    (#     24:25  Preassigned    3.56, 4.02 A)
 &rst
  ixpk= 24, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 577, 578,
 &end
#
#   38 ILE  HN           30 ILE  QG2         4.50    (#     25:25  Preassigned    2.89, 3.57 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   49 LYS  HN           48 VAL  QG2         5.50    (#     26:25  Preassigned    4.53, 5.21 A)
 &rst
  ixpk= 26, nxpk= 25, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 728, 729, 730,
 &end
#
#   38 ILE  HN           38 ILE  QG2         5.50    (#     27:25  Preassigned    4.39, 4.71 A)
 &rst
  ixpk= 27, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   38 ILE  HN           38 ILE  QD1         5.50    (#     28:25  Preassigned    2.45, 3.49 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#   49 LYS  HN           48 VAL  QG1         4.50    (#     29:25  Preassigned    3.43, 4.11 A)
 &rst
  ixpk= 29, nxpk= 25, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   49 LYS  HN           68 LEU  QD2         4.50    (#     30:25  Preassigned    2.92, 4.12 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   32 GLU  HN           31 LEU  HB3         5.50    (#     31:25  Preassigned    4.26, 4.34 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 470, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           31 LEU  HG          5.50    (#     32:25  Preassigned    4.65, 4.76 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 470, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           11 LEU  HA          5.50    (#     33:25  Preassigned    3.21, 3.56 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 470, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           12 TRP  HB2         5.50    (#     34:25  Preassigned    2.95, 3.08 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 470, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           32 GLU  HB3         4.50    (#     35:25  Preassigned    2.45, 2.48 A)
 &rst
  ixpk= 35, nxpk= 25, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           68 LEU  HB3         5.50    (#     36:25  Preassigned    3.65, 3.72 A)
 &rst
  ixpk= 36, nxpk= 25, iat=1040,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           32 GLU  HB2         4.50    (#     37:25  Preassigned    2.87, 2.93 A)
 &rst
  ixpk= 37, nxpk= 25, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HN           31 LEU  HB2         5.50    (#     38:25  Preassigned    4.17, 4.23 A)
 &rst
  ixpk= 38, nxpk= 25, iat= 470, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN            0 AMB  25-1:40     4.50    (#     40:25  Single Ambig)
 &rst
  ixpk= 40, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   68 LEU  HN           68 LEU  QD1         5.50    (#     41:25  Preassigned    4.09, 4.95 A)
 &rst
  ixpk= 41, nxpk= 25, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
#   68 LEU  HN           68 LEU  QD2         5.50    (#     42:25  Preassigned    3.89, 4.79 A)
 &rst
  ixpk= 42, nxpk= 25, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1053,1054,1055,
 &end
#
#   34 MET  HN           34 MET  HA          4.50    (#     43:25  Preassigned    2.26, 2.27 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 MET  HN           34 MET  HG+         5.50    (#     44:25  Preassigned    2.53, 3.52 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#   34 MET  HN           34 MET  HG-         5.50    (#     45:25  Preassigned    2.53, 3.52 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#    0 AMB  25-3:46       0 AMB  25-1:46     2.80    (#     46:25  Double Ambig)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 868, 275,
 igr2= 870, 871, 277, 278,
 &end
#
#    6 GLN  HN            6 GLN  HA          4.50    (#     47:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HN            5 ILE  HA          2.80    (#     48:25  Preassigned    2.35, 2.37 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  64,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 GLY  HN           56 GLY  HA-         3.50    (#     49:25  Preassigned    2.25, 2.58 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 870, 871,
 &end
#
#   56 GLY  HN           55 GLU  HA          2.80    (#     50:25  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 868, 855, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 GLN  HN            6 GLN  HG+         5.50    (#     51:25  Preassigned    2.06, 3.29 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HN            6 GLN  HB+         5.50    (#     52:25  Preassigned    2.49, 3.29 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  68,  69,
 &end
#
#    6 GLN  HN            6 GLN  HG-         5.50    (#     53:25  Preassigned    2.06, 3.29 A)
 &rst
  ixpk= 53, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HN            6 GLN  HB+         5.50    (#     54:25  Preassigned    2.49, 3.29 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  68,  69,
 &end
#
#    6 GLN  HN            6 GLN  HB-         4.50    (#     55:25  Preassigned    2.49, 3.29 A)
 &rst
  ixpk= 55, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  68,  69,
 &end
#
#   56 GLY  HN           55 GLU  QB          4.50    (#     56:25  Preassigned    3.15, 3.70 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 857, 858,
 &end
#
#   56 GLY  HN           11 LEU  HB3         5.50    (#     57:25  Preassigned    3.08, 3.32 A)
 &rst
  ixpk= 57, nxpk= 25, iat= 868, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           11 LEU  HB2         5.50    (#     58:25  Preassigned    3.07, 4.62 A)
 &rst
  ixpk= 58, nxpk= 25, iat= 868, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HN            5 ILE  QG2         4.50    (#     59:25  Preassigned    2.28, 2.99 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:60       0 AMB  25-1:60     5.50    (#     60:25  Double Ambig)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=  64, 868,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   31 LEU  HN           30 ILE  HA          2.80    (#     61:25  Preassigned    2.19, 2.22 A)
 &rst
  ixpk= 61, nxpk= 25, iat= 451, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 GLY  HN           49 LYS  HA          5.50    (#     62:25  Preassigned    3.77, 3.92 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 275, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HN           18 ALA  HA          2.80    (#     63:25  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 63, nxpk= 25, iat= 275, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 GLY  HN           19 GLY  HA-         2.80    (#     64:25  Preassigned    2.29, 2.63 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 277, 278,
 &end
#
#   19 GLY  HN           48 VAL  HB          4.50    (#     65:25  Preassigned    2.76, 2.95 A)
 &rst
  ixpk= 65, nxpk= 25, iat= 275, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           38 ILE  HB          5.50    (#     66:25  Preassigned    3.60, 3.73 A)
 &rst
  ixpk= 66, nxpk= 25, iat= 451, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           31 LEU  HB3         4.50    (#     67:25  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 67, nxpk= 25, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           29 ALA  QB          5.50    (#     68:25  Preassigned    5.50, 6.20 A)
 &rst
  ixpk= 68, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   31 LEU  HN           40 ILE  HG1+        5.50    (#     69:25  Preassigned    2.88, 3.55 A)
 &rst
  ixpk= 69, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   31 LEU  HN           40 ILE  HG1+        5.50    (#     70:25  Preassigned    2.88, 3.55 A)
 &rst
  ixpk= 70, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   31 LEU  HN           31 LEU  HB2         4.50    (#     71:25  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 71, nxpk= 25, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLY  HN           18 ALA  QB          4.50    (#     72:25  Preassigned    3.18, 3.90 A)
 &rst
  ixpk= 72, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   31 LEU  HN           30 ILE  QD1         5.50    (#     73:25  Preassigned    5.51, 6.02 A)
 &rst
  ixpk= 73, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   31 LEU  HN           30 ILE  QG2         4.50    (#     74:25  Preassigned    2.60, 3.18 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   19 GLY  HN           48 VAL  QG2         5.50    (#     75:25  Preassigned    4.97, 5.47 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 728, 729, 730,
 &end
#
#   31 LEU  HN           38 ILE  QG2         5.50    (#     76:25  Preassigned    4.72, 5.68 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   19 GLY  HN           51 VAL  QG2         7.00    (#     77:25  Preassigned    5.47, 6.35 A)
 &rst
  ixpk= 77, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:78      39 ILE  QD1         4.50    (#     78:25  Single Ambig)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  64, 451,
 igr2= 613, 614, 615,
 &end
#
#    0 AMB  25-3:79       0 AMB  25-1:79     4.50    (#     79:25  Double Ambig)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 275,  64,
 igr2= 705, 706, 707, 606, 607, 608,
 &end
#
#   19 GLY  HN           48 VAL  QG1         4.50    (#     80:25  Preassigned    3.53, 4.59 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   31 LEU  HN           31 LEU  HG          5.50    (#     81:25  Preassigned    4.65, 4.69 A)
 &rst
  ixpk= 81, nxpk= 25, iat= 451, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:82       0 AMB  25-1:82     5.50    (#     82:25  Double Ambig)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 451,  64,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   28 VAL  HN           27 GLU  HB+         5.50    (#     83:25  Preassigned    2.99, 4.14 A)
 &rst
  ixpk= 83, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 395, 396,
 &end
#
#   28 VAL  HN           27 GLU  HG+         5.50    (#     84:25  Preassigned    2.65, 3.09 A)
 &rst
  ixpk= 84, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   28 VAL  HN           41 VAL  QG2         5.50    (#     85:25  Preassigned    5.88, 6.38 A)
 &rst
  ixpk= 85, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 629, 630, 631,
 &end
#
#   28 VAL  HN           27 GLU  HA          2.80    (#     86:25  Preassigned    2.12, 2.17 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 406, 393, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HN           50 GLU  HA          2.80    (#     87:25  Preassigned    2.22, 2.40 A)
 &rst
  ixpk= 87, nxpk= 25, iat= 771, 758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HN           51 VAL  HA          4.50    (#     88:25  Preassigned    2.95, 2.98 A)
 &rst
  ixpk= 88, nxpk= 25, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HN           27 GLU  HG-         5.50    (#     89:25  Preassigned    2.65, 3.09 A)
 &rst
  ixpk= 89, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   28 VAL  HN           28 VAL  HB          5.50    (#     90:25  Preassigned    2.39, 3.20 A)
 &rst
  ixpk= 90, nxpk= 25, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           50 GLU  HG+         5.50    (#     91:25  Preassigned    1.93, 2.69 A)
 &rst
  ixpk= 91, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#   51 VAL  HN           51 VAL  HB          3.50    (#     92:25  Preassigned    2.63, 2.72 A)
 &rst
  ixpk= 92, nxpk= 25, iat= 771, 775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HN           50 GLU  HG-         5.50    (#     93:25  Preassigned    1.93, 2.69 A)
 &rst
  ixpk= 93, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#   51 VAL  HN           50 GLU  HB2         5.50    (#     94:25  Preassigned    3.98, 4.05 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 771, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           29 ALA  QB          5.50    (#     95:25  Preassigned    4.62, 5.19 A)
 &rst
  ixpk= 95, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   51 VAL  HN           18 ALA  QB          5.50    (#     96:25  Preassigned    3.29, 5.01 A)
 &rst
  ixpk= 96, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   28 VAL  HN           28 VAL  QG2         3.50    (#     97:25  Preassigned    2.12, 3.47 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   51 VAL  HN           51 VAL  QG2         4.50    (#     98:25  Preassigned    2.25, 3.55 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 781, 782, 783,
 &end
#
#   28 VAL  HN           28 VAL  QG1         4.50    (#     99:25  Preassigned    3.16, 4.28 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   69 SER  HN           69 SER  HA          4.50    (#    100:25  Preassigned    2.78, 2.85 A)
 &rst
  ixpk= 100, nxpk= 25, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           69 SER  QB          3.50    (#    101:25  Preassigned    2.45, 3.03 A)
 &rst
  ixpk= 101, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1063,1064,
 &end
#
#   51 VAL  HN           50 GLU  HB3         5.50    (#    102:25  Preassigned    3.22, 3.68 A)
 &rst
  ixpk= 102, nxpk= 25, iat= 771, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           50 GLU  HB3         5.50    (#    103:25  Preassigned    3.22, 3.68 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 771, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HB3         5.50    (#    104:25  Preassigned    2.20, 2.74 A)
 &rst
  ixpk= 104, nxpk= 25, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           47 ILE  HB          5.50    (#    105:25  Preassigned    3.23, 3.37 A)
 &rst
  ixpk= 105, nxpk= 25, iat=1059, 703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HB2         4.50    (#    106:25  Preassigned    3.40, 3.85 A)
 &rst
  ixpk= 106, nxpk= 25, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           68 LEU  QD1         5.50    (#    108:25  Preassigned    4.48, 5.72 A)
 &rst
  ixpk= 108, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
#   69 SER  HN           68 LEU  QD2         4.50    (#    109:25  Preassigned    3.34, 4.44 A)
 &rst
  ixpk= 109, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1053,1054,1055,
 &end
#
#   22 ILE  HN           21 GLN  HG-         5.50    (#    110:25  Preassigned    2.32, 3.25 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   22 ILE  HN           21 GLN  HG+         5.50    (#    111:25  Preassigned    2.32, 3.25 A)
 &rst
  ixpk= 111, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#    0 AMB  25-3:112     20 GLN  QB          4.50    (#    112:25  Single Ambig)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 311, 718,
 igr2= 298, 299,
 &end
#
#   22 ILE  HN           22 ILE  HB          4.50    (#    113:25  Preassigned    3.86, 3.88 A)
 &rst
  ixpk= 113, nxpk= 25, iat= 311, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HN           22 ILE  HG1+        4.50    (#    114:25  Preassigned    2.33, 2.91 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   22 ILE  HN           22 ILE  HG1-        4.50    (#    115:25  Preassigned    2.33, 2.91 A)
 &rst
  ixpk= 115, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:116     21 ILE  QG2         3.50    (#    116:25  Single Ambig)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 311, 718,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:117     21 ILE  QD1         4.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 311, 718,
 igr2= 324, 325, 326,
 &end
#
#   48 VAL  HN           48 VAL  HA          4.50    (#    118:25  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 118, nxpk= 25, iat= 718, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  HN           48 VAL  HB          3.50    (#    119:25  Preassigned    2.36, 2.44 A)
 &rst
  ixpk= 119, nxpk= 25, iat= 718, 722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HN           48 VAL  QG2         2.80    (#    120:25  Preassigned    2.12, 3.05 A)
 &rst
  ixpk= 120, nxpk= 25, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 728, 729, 730,
 &end
#
#   48 VAL  HN           47 ILE  QG2         3.50    (#    121:25  Preassigned    2.79, 3.48 A)
 &rst
  ixpk= 121, nxpk= 25, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 705, 706, 707,
 &end
#
#   48 VAL  HN           48 VAL  QG1         5.50    (#    122:25  Preassigned    4.38, 4.52 A)
 &rst
  ixpk= 122, nxpk= 25, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   27 GLU  HN           27 GLU  HA          4.50    (#    123:25  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 123, nxpk= 25, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLY  HN            6 GLN  HA          4.50    (#    124:25  Preassigned    2.63, 2.87 A)
 &rst
  ixpk= 124, nxpk= 25, iat= 952,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           11 LEU  HA          4.50    (#    125:25  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 125, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HN           26 GLN  HA          2.80    (#    126:25  Preassigned    2.21, 2.24 A)
 &rst
  ixpk= 126, nxpk= 25, iat= 391, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 LYS  HN           34 MET  HA          4.50    (#    127:25  Preassigned    2.64, 2.81 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 513, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HN           35 LYS  HA          2.80    (#    128:25  Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLY  HN           62 GLY  HA-         3.50    (#    129:25  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 129, nxpk= 25, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 954, 955,
 &end
#
#   62 GLY  HN           62 GLY  HA-         3.50    (#    131:25  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 131, nxpk= 25, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 954, 955,
 &end
#
#   62 GLY  HN           61 GLU  HA          2.80    (#    132:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 132, nxpk= 25, iat= 952, 939, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:133      0 AMB  25-1:133    5.50    (#    133:25  Double Ambig)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 718, 129, 952,
 igr2= 287, 119, 964,
 &end
#
#   11 LEU  HN            10 ASN  HB3         4.50    (#    134:25  Preassigned    3.02, 3.09 A)
 &rst
  ixpk= 134, nxpk= 25, iat= 129, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HN           26 GLN  HG-         4.50    (#    135:25  Preassigned    2.53, 3.33 A)
 &rst
  ixpk= 135, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           27 GLU  HG-         5.50    (#    136:25  Preassigned    3.59, 4.39 A)
 &rst
  ixpk= 136, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   27 GLU  HN           26 GLN  HG+         5.50    (#    137:25  Preassigned    2.53, 3.33 A)
 &rst
  ixpk= 137, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           27 GLU  HB+         4.50    (#    138:25  Preassigned    2.30, 2.48 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 395, 396,
 &end
#
#   35 LYS  HN           35 LYS  HB2         5.50    (#    139:25  Preassigned    3.57, 3.60 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 513, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HG+         5.50    (#    140:25  Preassigned    3.34, 3.69 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 944, 945,
 &end
#
#   27 GLU  HN           27 GLU  HB-         3.50    (#    141:25  Preassigned    2.30, 2.48 A)
 &rst
  ixpk= 141, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 396,
 &end
#
#   27 GLU  HN           27 GLU  HG+         5.50    (#    142:25  Preassigned    3.59, 4.39 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   62 GLY  HN           61 GLU  HG-         5.50    (#    143:25  Preassigned    3.34, 3.69 A)
 &rst
  ixpk= 143, nxpk= 25, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 944, 945,
 &end
#
#   27 GLU  HN           26 GLN  HB3         5.50    (#    144:25  Preassigned    3.87, 4.07 A)
 &rst
  ixpk= 144, nxpk= 25, iat= 391, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HB3         5.50    (#    145:25  Preassigned    4.41, 4.48 A)
 &rst
  ixpk= 145, nxpk= 25, iat= 952, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HB2         5.50    (#    146:25  Preassigned    4.37, 4.43 A)
 &rst
  ixpk= 146, nxpk= 25, iat= 952, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HB3         4.50    (#    147:25  Preassigned    2.51, 2.71 A)
 &rst
  ixpk= 147, nxpk= 25, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HN           32 GLU  HG+         5.50    (#    148:25  Preassigned    4.62, 5.32 A)
 &rst
  ixpk= 148, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   11 LEU  HN           11 LEU  HB2         4.50    (#    149:25  Preassigned    2.13, 2.34 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HN           35 LYS  HG+         5.50    (#    150:25  Preassigned    2.79, 3.24 A)
 &rst
  ixpk= 150, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#    0 AMB  25-3:151      4 ILE  QG2         5.50    (#    151:25  Single Ambig)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 952, 129,
 igr2=  51,  52,  53,
 &end
#
#   27 GLU  HN           41 VAL  QG2         7.00    (#    152:25  Preassigned    6.36, 6.74 A)
 &rst
  ixpk= 152, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 629, 630, 631,
 &end
#
#   11 LEU  HN           59 VAL  QG1         5.50    (#    153:25  Preassigned    3.42, 4.45 A)
 &rst
  ixpk= 153, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   27 GLU  HN           41 VAL  QG1         5.50    (#    154:25  Preassigned    3.24, 4.43 A)
 &rst
  ixpk= 154, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 625, 626, 627,
 &end
#
#   11 LEU  HN           59 VAL  QG2         5.50    (#    155:25  Preassigned    2.56, 3.59 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   11 LEU  HN           11 LEU  QD+         5.50    (#    156:25  Preassigned    3.74, 5.02 A)
 &rst
  ixpk= 156, 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
#
#   11 LEU  HN           11 LEU  QD-         5.50    (#    157:25  Preassigned    3.74, 5.02 A)
 &rst
  ixpk= 157, 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
#
#   11 LEU  HN            0 AMB  25-1:158    5.50    (#    158:25  Single Ambig)
 &rst
  ixpk= 158, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#    159:25  Preassigned    2.90, 4.27 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HN            3 VAL  HA          2.80    (#    160:25  Preassigned    2.17, 2.26 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  34,  20, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 SER  HN            0 AMB  25-1:161    4.50    (#    161:25  Single Ambig)
 &rst
  ixpk= 161, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  38,  39,
 &end
#
#    4 SER  HN            4 SER  HB2         4.50    (#    162:25  Preassigned    2.63, 2.69 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  34,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 SER  HN            3 VAL  QG2         4.50    (#    164:25  Preassigned    4.41, 5.05 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   43 ASP  HN           42 ALA  HA          3.50    (#    165:25  Preassigned    2.19, 2.20 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 645, 637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASP  HN           43 ASP  HB2         5.50    (#    166:25  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HN           43 ASP  HB2         5.50    (#    167:25  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 167, nxpk= 25, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HN           43 ASP  HB3         5.50    (#    168:25  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 168, nxpk= 25, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:169      2 VAL  QG1         4.50    (#    169:25  Single Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 645,  34,
 igr2=  24,  25,  26,
 &end
#
#    0 AMB  25-3:170     39 ILE  QG2         5.50    (#    170:25  Single Ambig)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 432, 645,
 igr2= 606, 607, 608,
 &end
#
#   30 ILE  HN           30 ILE  HA          4.50    (#    171:25  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLY  HN           25 GLY  HA+         4.50    (#    172:25  Preassigned    2.29, 2.62 A)
 &rst
  ixpk= 172, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#   30 ILE  HN           14 VAL  HA          5.50    (#    173:25  Preassigned    3.65, 3.71 A)
 &rst
  ixpk= 173, nxpk= 25, iat= 432, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           29 ALA  HA          2.80    (#    174:25  Preassigned    2.52, 2.56 A)
 &rst
  ixpk= 174, nxpk= 25, iat= 432, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 GLY  HN           25 GLY  HA-         4.50    (#    175:25  Preassigned    2.29, 2.62 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#   25 GLY  HN           24 LYS  HA          2.80    (#    176:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 176, nxpk= 25, iat= 367, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HN           30 ILE  HB          4.50    (#    177:25  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:178     41 ALA  QB          4.50    (#    178:25  Single Ambig)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 367, 645,
 igr2= 639, 640, 641,
 &end
#
#   25 GLY  HN           24 LYS  HB2         5.50    (#    179:25  Preassigned    4.26, 4.33 A)
 &rst
  ixpk= 179, nxpk= 25, iat= 367, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           29 ALA  QB          3.50    (#    180:25  Preassigned    2.13, 3.04 A)
 &rst
  ixpk= 180, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 426, 427, 428,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        4.50    (#    181:25  Preassigned    3.29, 3.83 A)
 &rst
  ixpk= 181, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   30 ILE  HN           13 LYS  HB3         5.50    (#    182:25  Preassigned    4.81, 4.93 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 432, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           24 LYS  QG          4.50    (#    183:25  Preassigned    2.88, 3.20 A)
 &rst
  ixpk= 183, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#   30 ILE  HN           13 LYS  HB2         5.50    (#    184:25  Preassigned    3.76, 3.97 A)
 &rst
  ixpk= 184, nxpk= 25, iat= 432, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           30 ILE  HG1-        5.50    (#    185:25  Preassigned    3.29, 3.83 A)
 &rst
  ixpk= 185, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   30 ILE  HN           30 ILE  QD1         5.50    (#    186:25  Preassigned    4.67, 5.29 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HN           30 ILE  QG2         5.50    (#    187:25  Preassigned    4.31, 4.72 A)
 &rst
  ixpk= 187, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   25 GLY  HN           41 VAL  QG1         5.50    (#    188:25  Preassigned    5.50, 6.06 A)
 &rst
  ixpk= 188, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 625, 626, 627,
 &end
#
#   30 ILE  HN           11 LEU  QD+         5.50    (#    189:25  Preassigned    3.29, 5.04 A)
 &rst
  ixpk= 189, 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
#
#   65 LEU  HN           65 LEU  HA          4.50    (#    190:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 190, nxpk= 25, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           64 VAL  HA          2.80    (#    191:25  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 987, 973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 LEU  HN           65 LEU  HB3         4.50    (#    192:25  Preassigned    2.35, 2.48 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 987, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           65 LEU  HB2         4.50    (#    193:25  Preassigned    2.52, 2.87 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            0 AMB  25-1:194    4.50    (#    194:25  Single Ambig)
 &rst
  ixpk= 194, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 981, 982, 983,  24,  25,  26,
 &end
#
#    0 AMB  25-3:195      0 AMB  25-1:195    5.50    (#    195:25  Double Ambig)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 987, 432,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002,
 &end
#
#    0 AMB  25-3:196     40 VAL  QG2         5.50    (#    196:25  Single Ambig)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 367, 645,
 igr2= 629, 630, 631,
 &end
#
#   65 LEU  HN           64 VAL  QG1         4.50    (#    197:25  Preassigned    2.42, 3.23 A)
 &rst
  ixpk= 197, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 977, 978, 979,
 &end
#
#   65 LEU  HN            5 ILE  QD1         5.50    (#    198:25  Preassigned    3.28, 5.38 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:199     64 LEU  QD-         5.50    (#    199:25  Single Ambig)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 987, 432,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   54 LYS  HN           54 LYS  HA          4.50    (#    201:25  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 201, nxpk= 25, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HN           53 LYS  HD-         5.50    (#    202:25  Preassigned    3.53, 3.77 A)
 &rst
  ixpk= 202, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 819, 820,
 &end
#
#   54 LYS  HN           53 LYS  HB3         4.50    (#    203:25  Preassigned    1.98, 2.13 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HN           54 LYS  QB          4.50    (#    204:25  Preassigned    3.36, 3.68 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 835, 836,
 &end
#
#   54 LYS  HN           54 LYS  QD          5.50    (#    205:25  Preassigned    4.80, 5.06 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 841, 842,
 &end
#
#   54 LYS  HN           54 LYS  HG+         4.50    (#    206:25  Preassigned    2.52, 2.95 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 838, 839,
 &end
#
#   54 LYS  HN           53 LYS  HB2         5.50    (#    207:25  Preassigned    3.21, 3.38 A)
 &rst
  ixpk= 207, nxpk= 25, iat= 831, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           54 LYS  HG-         5.50    (#    208:25  Preassigned    2.52, 2.95 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#   54 LYS  HN           14 VAL  QG1         5.50    (#    209:25  Preassigned    5.16, 6.56 A)
 &rst
  ixpk= 209, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   54 LYS  HN           57 ASP  HB3         4.50    (#    211:25  Preassigned    2.57, 2.72 A)
 &rst
  ixpk= 211, nxpk= 25, iat= 831, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#    212:25  Preassigned    2.36, 2.86 A)
 &rst
  ixpk= 212, nxpk= 25, iat= 831, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#    213:25  Preassigned    2.36, 2.86 A)
 &rst
  ixpk= 213, nxpk= 25, iat= 831, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           11 LEU  QD+         5.50    (#    215:25  Preassigned    2.91, 5.37 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 831,  -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    (#    216:25  Preassigned    2.91, 5.37 A)
 &rst
  ixpk= 216, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   17 LYS  HN           17 LYS  HA          4.50    (#    217:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 217, nxpk= 25, iat= 243, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HN           51 VAL  HA          2.80    (#    218:25  Preassigned    2.18, 2.23 A)
 &rst
  ixpk= 218, nxpk= 25, iat= 787, 773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 LYS  HN           52 LYS  HA          4.50    (#    219:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 219, nxpk= 25, iat= 787, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HN           52 LYS  HB3         5.50    (#    220:25  Preassigned    3.62, 3.68 A)
 &rst
  ixpk= 220, nxpk= 25, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           17 LYS  QB          4.50    (#    221:25  Preassigned    3.47, 3.73 A)
 &rst
  ixpk= 221, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 247, 248,
 &end
#
#   52 LYS  HN           52 LYS  HB2         4.50    (#    222:25  Preassigned    2.43, 2.52 A)
 &rst
  ixpk= 222, nxpk= 25, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  HN           17 LYS  QD          5.50    (#    223:25  Preassigned    2.61, 4.94 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 253, 254,
 &end
#
#   52 LYS  HN           52 LYS  QD          5.50    (#    224:25  Preassigned    3.60, 4.27 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 797, 798,
 &end
#
#   17 LYS  HN           17 LYS  HG-         4.50    (#    225:25  Preassigned    2.68, 3.06 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 250, 251,
 &end
#
#   52 LYS  HN           52 LYS  HG-         4.50    (#    226:25  Preassigned    2.45, 3.28 A)
 &rst
  ixpk= 226, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 794, 795,
 &end
#
#   17 LYS  HN           17 LYS  HG+         5.50    (#    227:25  Preassigned    2.68, 3.06 A)
 &rst
  ixpk= 227, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   52 LYS  HN           52 LYS  HG+         4.50    (#    228:25  Preassigned    2.45, 3.28 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 794, 795,
 &end
#
#   52 LYS  HN           51 VAL  QG1         4.50    (#    229:25  Preassigned    2.68, 3.44 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 777, 778, 779,
 &end
#
#    0 AMB  25-3:230      0 AMB  25-1:230    4.50    (#    230:25  Double Ambig)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 243, 635, 619,
 igr2= 233, 234, 235,  24,  25,  26,
 &end
#
#   52 LYS  HN           65 LEU  QD+         5.50    (#    231:25  Preassigned    3.66, 5.87 A)
 &rst
  ixpk= 231, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:232      0 AMB  25-1:232    5.50    (#    232:25  Double Ambig)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 787, 243,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    0 AMB  25-3:233     50 VAL  QG2         4.50    (#    233:25  Single Ambig)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 243, 787,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:234     15 VAL  QG2         4.50    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 243, 787,
 igr2= 237, 238, 239,
 &end
#
#   17 LYS  HN           48 VAL  QG1         5.50    (#    235:25  Preassigned    3.10, 4.33 A)
 &rst
  ixpk= 235, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#    0 AMB  25-3:236     26 GLU  HA          4.50    (#    236:25  Single Ambig)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 635, 600, 619,
 &end
#
#   12 TRP  HN           11 LEU  HA          2.80    (#    237:25  Preassigned    2.13, 2.27 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:238     39 ILE  HA          2.80    (#    238:25  Single Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 619, 600,
 &end
#
#   42 ALA  HN           42 ALA  HA          4.50    (#    239:25  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 239, nxpk= 25, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           12 TRP  HB2         4.50    (#    240:25  Preassigned    2.16, 2.26 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           12 TRP  HB3         4.50    (#    241:25  Preassigned    2.56, 2.78 A)
 &rst
  ixpk= 241, nxpk= 25, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  HN           39 PRO  HB+         4.50    (#    242:25  Preassigned    2.93, 3.33 A)
 &rst
  ixpk= 242, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 593, 594,
 &end
#
#    0 AMB  25-3:243     40 VAL  HB          3.50    (#    243:25  Single Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 619,
 &end
#
#   40 ILE  HN           39 PRO  HB-         4.50    (#    244:25  Preassigned    2.93, 3.33 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 593, 594,
 &end
#
#   40 ILE  HN           40 ILE  HB          3.50    (#    245:25  Preassigned    2.52, 2.58 A)
 &rst
  ixpk= 245, nxpk= 25, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           42 ALA  QB          3.50    (#    246:25  Preassigned    2.36, 2.82 A)
 &rst
  ixpk= 246, nxpk= 25, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:247     28 ALA  QB          5.50    (#    247:25  Single Ambig)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 600, 148, 619,
 igr2= 426, 427, 428,
 &end
#
#   40 ILE  HN           40 ILE  HG1+        4.50    (#    248:25  Preassigned    2.86, 3.60 A)
 &rst
  ixpk= 248, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 610, 611,
 &end
#
#   40 ILE  HN           40 ILE  HG1-        4.50    (#    249:25  Preassigned    2.86, 3.60 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 610, 611,
 &end
#
#   40 ILE  HN           30 ILE  QD1         5.50    (#    250:25  Unique         5.67, 6.09 A)
 &rst
  ixpk= 250, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:251     29 ILE  QG2         5.50    (#    251:25  Single Ambig)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 148, 600,
 igr2= 438, 439, 440,
 &end
#
#   42 ALA  HN           28 VAL  QG2         4.50    (#    252:25  Preassigned    2.34, 3.47 A)
 &rst
  ixpk= 252, nxpk= 25, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   40 ILE  HN           38 ILE  QG2         5.50    (#    253:25  Unique         5.38, 6.59 A)
 &rst
  ixpk= 253, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   42 ALA  HN            3 VAL  QG2         5.50    (#    254:25  Preassigned    5.64, 6.85 A)
 &rst
  ixpk= 254, nxpk= 25, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   41 VAL  HN           41 VAL  QG2         3.50    (#    255:25  Preassigned    2.22, 3.04 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 629, 630, 631,
 &end
#
#    0 AMB  25-3:256     40 VAL  QG1         3.50    (#    256:25  Single Ambig)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 600, 635,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  25-3:257     21 ILE  QG2         5.50    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 243, 635,
 igr2= 317, 318, 319,
 &end
#
#   42 ALA  HN           28 VAL  QG1         4.50    (#    258:25  Preassigned    3.12, 4.70 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:259     39 ILE  QG2         3.50    (#    259:25  Single Ambig)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 600,
 igr2= 606, 607, 608,
 &end
#
#   42 ALA  HN           22 ILE  QD1         5.50    (#    260:25  Preassigned    4.35, 5.56 A)
 &rst
  ixpk= 260, nxpk= 25, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   12 TRP  HN           11 LEU  QD+         4.50    (#    261:25  Preassigned    3.08, 5.46 A)
 &rst
  ixpk= 261, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   12 TRP  HN           11 LEU  QD-         5.50    (#    262:25  Preassigned    3.08, 5.46 A)
 &rst
  ixpk= 262, nxpk= 25, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   40 ILE  HN           30 ILE  HA          4.50    (#    263:25  Preassigned    2.82, 2.89 A)
 &rst
  ixpk= 263, nxpk= 25, iat= 600, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HN            5 ILE  HA          4.50    (#    264:25  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  45,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HN           64 VAL  HA          5.50    (#    265:25  Preassigned    3.64, 3.75 A)
 &rst
  ixpk= 265, nxpk= 25, iat=  45, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN            0 AMB  25-1:266    3.50    (#    266:25  Single Ambig)
 &rst
  ixpk= 266, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  39,  38,
 &end
#
#    5 ILE  HN            0 AMB  25-1:267    4.50    (#    267:25  Single Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#   40 ILE  HN           27 GLU  HG-         5.50    (#    268:25  Preassigned    2.93, 3.81 A)
 &rst
  ixpk= 268, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#    5 ILE  HN            5 ILE  HB          3.50    (#    269:25  Preassigned    2.41, 2.49 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  45,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 ILE  HN           30 ILE  HG1+        4.50    (#    270:25  Preassigned    3.61, 3.85 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   40 ILE  HN           30 ILE  HG1-        4.50    (#    271:25  Preassigned    3.61, 3.85 A)
 &rst
  ixpk= 271, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#    5 ILE  HN            5 ILE  QG2         4.50    (#    272:25  Preassigned    4.36, 4.55 A)
 &rst
  ixpk= 272, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HN            5 ILE  QD1         4.50    (#    273:25  Preassigned    2.05, 3.77 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   58 PHE  HN           57 ASP  HA          2.80    (#    274:25  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 274, nxpk= 25, iat= 887, 877, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 GLN  HN           20 ASP  HA          2.80    (#    275:25  Preassigned    2.42, 2.49 A)
 &rst
  ixpk= 275, nxpk= 25, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    10 ASN  HN            9 GLY  HA+         3.50    (#    276:25  Preassigned    2.24, 2.61 A)
 &rst
  ixpk= 276, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA-         3.50    (#    277:25  Preassigned    2.24, 2.61 A)
 &rst
  ixpk= 277, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 110, 111,
 &end
#
#   58 PHE  HN           58 PHE  HB2         3.50    (#    278:25  Preassigned    2.59, 2.68 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HN           58 PHE  HB3         3.50    (#    279:25  Preassigned    2.26, 2.34 A)
 &rst
  ixpk= 279, nxpk= 25, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HN           57 ASP  HB3         5.50    (#    280:25  Preassigned    3.42, 3.65 A)
 &rst
  ixpk= 280, nxpk= 25, iat= 887, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN            10 ASN  HB2         3.50    (#    281:25  Preassigned    2.62, 2.65 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HN           57 ASP  HB2         4.50    (#    282:25  Preassigned    3.87, 3.98 A)
 &rst
  ixpk= 282, nxpk= 25, iat= 887, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:283      0 AMB  25-1:283    3.50    (#    283:25  Double Ambig)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 115, 294, 907,
 igr2= 120, 286,
 &end
#
#   21 GLN  HN           21 GLN  HG-         5.50    (#    284:25  Preassigned    4.32, 4.70 A)
 &rst
  ixpk= 284, nxpk= 25, iat= 294,  -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    (#    285:25  Preassigned    4.32, 4.70 A)
 &rst
  ixpk= 285, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#    10 ASN  HN           32 GLU  HB3         5.50    (#    286:25  Preassigned    3.28, 3.42 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 115, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HN           21 GLN  QB          3.50    (#    287:25  Preassigned    2.44, 2.89 A)
 &rst
  ixpk= 287, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#    10 ASN  HN            0 AMB  25-1:288    4.50    (#    288:25  Single Ambig)
 &rst
  ixpk= 288, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:289      7 ALA  HA          5.50    (#    289:25  Single Ambig)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 907, 115,
 &end
#
#   59 VAL  HN           59 VAL  HA          4.50    (#    290:25  Preassigned    2.93, 2.93 A)
 &rst
  ixpk= 290, nxpk= 25, iat= 907, 909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:291     58 VAL  HB          5.50    (#    291:25  Single Ambig)
 &rst
  ixpk= 291, nxpk= 25, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 907, 115,
 &end
#
#    0 AMB  25-3:292     58 VAL  QG1         4.50    (#    292:25  Single Ambig)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 907, 887,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  25-3:293     58 VAL  QG2         3.50    (#    293:25  Single Ambig)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 907, 115,
 igr2= 917, 918, 919,
 &end
#
#   33 SER  HN           33 SER  HB2         4.50    (#    294:25  Preassigned    3.39, 3.44 A)
 &rst
  ixpk= 294, nxpk= 25, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           33 SER  HB3         4.50    (#    295:25  Preassigned    3.24, 3.26 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:296      0 AMB  25-1:296    5.50    (#    296:25  Double Ambig)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 265,
 igr2= 475, 775,
 &end
#
#   33 SER  HN           32 GLU  HG+         4.50    (#    297:25  Preassigned    3.09, 3.40 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   33 SER  HN           32 GLU  HB2         5.50    (#    298:25  Preassigned    4.28, 4.34 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 485, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           38 ILE  QD1         5.50    (#    299:25  Preassigned    2.92, 3.44 A)
 &rst
  ixpk= 299, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#   18 ALA  HN           17 LYS  HA          2.80    (#    300:25  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 265, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  HN           18 ALA  HA          4.50    (#    301:25  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 301, nxpk= 25, iat= 265, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           17 LYS  QB          3.50    (#    302:25  Preassigned    2.53, 3.26 A)
 &rst
  ixpk= 302, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 247, 248,
 &end
#
#   18 ALA  HN           17 LYS  HG-         5.50    (#    303:25  Preassigned    3.79, 4.33 A)
 &rst
  ixpk= 303, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           18 ALA  QB          2.80    (#    304:25  Preassigned    2.48, 2.90 A)
 &rst
  ixpk= 304, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#   18 ALA  HN           17 LYS  HG+         5.50    (#    305:25  Preassigned    3.79, 4.33 A)
 &rst
  ixpk= 305, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           51 VAL  QG2         4.50    (#    306:25  Preassigned    2.97, 4.02 A)
 &rst
  ixpk= 306, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 781, 782, 783,
 &end
#
#   18 ALA  HN           48 VAL  QG1         4.50    (#    307:25  Preassigned    4.11, 5.02 A)
 &rst
  ixpk= 307, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   67 GLU  HN           51 VAL  HA          5.50    (#    308:25  Preassigned    3.26, 3.45 A)
 &rst
  ixpk= 308, nxpk= 25, iat=1025, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           46 GLY  HA-         3.50    (#    309:25  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 309, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 694, 695,
 &end
#
#   60 ASN  HN           63 ASP  HB3         5.50    (#    310:25  Preassigned    1.89, 1.99 A)
 &rst
  ixpk= 310, nxpk= 25, iat= 923, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HN           63 ASP  HB2         5.50    (#    311:25  Preassigned    2.25, 2.33 A)
 &rst
  ixpk= 311, nxpk= 25, iat= 923, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           67 GLU  HG+         5.50    (#    312:25  Preassigned    2.42, 4.42 A)
 &rst
  ixpk= 312, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1032,1033,
 &end
#
#   67 GLU  HN           67 GLU  HB2         5.50    (#    313:25  Preassigned    2.47, 3.07 A)
 &rst
  ixpk= 313, nxpk= 25, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           67 GLU  HB3         4.50    (#    314:25  Preassigned    2.55, 2.80 A)
 &rst
  ixpk= 314, nxpk= 25, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           66 LEU  HB2         5.50    (#    315:25  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 315, nxpk= 25, iat=1025,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           66 LEU  HB3         5.50    (#    316:25  Preassigned    3.60, 3.67 A)
 &rst
  ixpk= 316, nxpk= 25, iat=1025,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           51 VAL  QG1         5.50    (#    317:25  Preassigned    5.24, 6.26 A)
 &rst
  ixpk= 317, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 777, 778, 779,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        5.50    (#    318:25  Preassigned    2.56, 3.33 A)
 &rst
  ixpk= 318, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:319     47 VAL  QG2         5.50    (#    319:25  Single Ambig)
 &rst
  ixpk= 319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1025, 699,
 igr2= 728, 729, 730,
 &end
#
#   67 GLU  HN           66 LEU  QD+         5.50    (#    320:25  Preassigned    2.93, 4.66 A)
 &rst
  ixpk= 320, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   67 GLU  HN           66 LEU  QD-         5.50    (#    321:25  Preassigned    2.93, 4.66 A)
 &rst
  ixpk= 321, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   47 ILE  HN           47 ILE  QG2         5.50    (#    322:25  Preassigned    4.22, 4.58 A)
 &rst
  ixpk= 322, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  25-3:323      7 ALA  HA          5.50    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 923,
 &end
#
#   55 GLU  HN           54 LYS  HA          2.80    (#    324:25  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 324, nxpk= 25, iat= 853, 833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HN           59 VAL  HA          2.80    (#    325:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 325, nxpk= 25, iat= 923, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 ILE  HN           46 GLY  HA+         3.50    (#    326:25  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 326, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 694, 695,
 &end
#
#   47 ILE  HN           69 SER  QB          5.50    (#    329:25  Preassigned    2.86, 4.17 A)
 &rst
  ixpk= 329, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1063,1064,
 &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    330:25  Preassigned    2.78, 2.82 A)
 &rst
  ixpk= 330, nxpk= 25, iat= 853, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HN           61 GLU  HA          4.50    (#    331:25  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 937, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:332      0 AMB  25-1:332    3.50    (#    332:25  Double Ambig)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 923, 937,
 igr2= 927, 928, 927, 928,
 &end
#
#    0 AMB  25-3:333     59 ASN  HB-         3.50    (#    333:25  Single Ambig)
 &rst
  ixpk= 333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 937,
 igr2= 927, 928,
 &end
#
#   55 GLU  HN           55 GLU  HG+         3.50    (#    334:25  Preassigned    2.03, 2.94 A)
 &rst
  ixpk= 334, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 860, 861,
 &end
#
#   60 ASN  HN           63 ASP  HB2         5.50    (#    335:25  Preassigned    2.25, 2.33 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 923, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HN           61 GLU  HG+         4.50    (#    336:25  Preassigned    4.35, 4.42 A)
 &rst
  ixpk= 336, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 944, 945,
 &end
#
#   60 ASN  HN           59 VAL  HB          3.50    (#    337:25  Preassigned    2.39, 2.45 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 923, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           55 GLU  HG-         5.50    (#    338:25  Preassigned    2.03, 2.94 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 860, 861,
 &end
#
#    0 AMB  25-3:339      0 AMB  25-1:339    2.80    (#    339:25  Double Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 937, 853,
 igr2= 942, 857, 858,
 &end
#
#   61 GLU  HN           61 GLU  HB2         3.50    (#    340:25  Preassigned    2.46, 2.52 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 937, 941, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           54 LYS  QB          3.50    (#    341:25  Preassigned    2.26, 3.09 A)
 &rst
  ixpk= 341, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#   55 GLU  HN           54 LYS  QD          5.50    (#    342:25  Preassigned    4.06, 5.05 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 841, 842,
 &end
#
#   47 ILE  HN           47 ILE  HB          3.50    (#    343:25  Preassigned    2.36, 2.43 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GLU  HN            8 ALA  QB          4.50    (#    344:25  Preassigned    3.12, 4.43 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#   55 GLU  HN           54 LYS  HG+         5.50    (#    345:25  Preassigned    3.34, 4.12 A)
 &rst
  ixpk= 345, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#   55 GLU  HN           54 LYS  HG-         5.50    (#    346:25  Preassigned    3.34, 4.12 A)
 &rst
  ixpk= 346, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#    0 AMB  25-3:347      4 ILE  QG2         5.50    (#    347:25  Single Ambig)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 937,
 igr2=  51,  52,  53,
 &end
#
#   60 ASN  HN           59 VAL  QG1         4.50    (#    348:25  Preassigned    3.54, 4.30 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 913, 914, 915,
 &end
#
#   60 ASN  HN           59 VAL  QG2         5.50    (#    349:25  Preassigned    4.07, 4.63 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   47 ILE  HN           68 LEU  QD1         5.50    (#    350:25  Unique         4.20, 5.64 A)
 &rst
  ixpk= 350, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
#   55 GLU  HN           11 LEU  QD-         7.00    (#    351:25  Preassigned    4.60, 7.20 A)
 &rst
  ixpk= 351, nxpk= 25, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:352     67 LEU  QD2         5.50    (#    352:25  Single Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 699,1025,
 igr2=1053,1054,1055,
 &end
#
#   71 SER  HN           72 THR  QG2         7.00    (#    354:25  Preassigned    4.27, 6.59 A)
 &rst
  ixpk= 354, nxpk= 25, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1101,1102,1103,
 &end
#
#   64 VAL  HN           63 ASP  HA          2.80    (#    355:25  Preassigned    2.21, 2.24 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 971, 961, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HN           64 VAL  HA          4.50    (#    356:25  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 356, nxpk= 25, iat= 971, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HN           63 ASP  HB3         5.50    (#    358:25  Preassigned    4.00, 4.08 A)
 &rst
  ixpk= 358, nxpk= 25, iat= 971, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HN           63 ASP  HB2         4.50    (#    359:25  Preassigned    4.31, 4.38 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HN           63 ASP  HB2         4.50    (#    360:25  Preassigned    4.31, 4.38 A)
 &rst
  ixpk= 360, nxpk= 25, iat= 971, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HN           64 VAL  HB          3.50    (#    361:25  Preassigned    2.46, 2.56 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 971, 975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           64 VAL  QG2         3.50    (#    362:25  Preassigned    1.97, 2.96 A)
 &rst
  ixpk= 362, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 981, 982, 983,
 &end
#
#   64 VAL  HN           64 VAL  QG1         5.50    (#    363:25  Preassigned    4.39, 4.54 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 977, 978, 979,
 &end
#
#    3 VAL  HN            2 THR  HB          5.50    (#    364:25  Preassigned    2.20, 3.33 A)
 &rst
  ixpk= 364, nxpk= 25, iat=  18,   8, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           36 MET  HA          2.80    (#    365:25  Preassigned    2.44, 2.51 A)
 &rst
  ixpk= 365, nxpk= 25, iat= 552, 537, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 ASP  HN           56 GLY  HA+         4.50    (#    366:25  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 871,
 &end
#
#   57 ASP  HN           56 GLY  HA-         5.50    (#    367:25  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 367, nxpk= 25, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 870, 871,
 &end
#
#   57 ASP  HN           55 GLU  HA          4.50    (#    368:25  Preassigned    3.52, 3.66 A)
 &rst
  ixpk= 368, nxpk= 25, iat= 875, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HN           57 ASP  HB3         3.50    (#    369:25  Preassigned    2.57, 2.65 A)
 &rst
  ixpk= 369, nxpk= 25, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HN           57 ASP  HB2         4.50    (#    370:25  Preassigned    2.30, 2.55 A)
 &rst
  ixpk= 370, nxpk= 25, iat= 875, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HN           57 ASP  HB2         4.50    (#    371:25  Preassigned    2.30, 2.55 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 875, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           36 MET  HG+         5.50    (#    372:25  Preassigned    3.89, 4.47 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 542, 543,
 &end
#
#   37 GLU  HN           36 MET  HG-         5.50    (#    373:25  Preassigned    3.89, 4.47 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 542, 543,
 &end
#
#   37 GLU  HN           36 MET  HB2         5.50    (#    374:25  Preassigned    3.47, 3.55 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 552, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           36 MET  HB3         4.50    (#    375:25  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 552, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           37 GLU  HG+         4.50    (#    376:25  Preassigned    3.34, 4.25 A)
 &rst
  ixpk= 376, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   37 GLU  HN           37 GLU  HB2         4.50    (#    377:25  Preassigned    2.59, 2.75 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           37 GLU  HB3         4.50    (#    378:25  Preassigned    3.73, 3.81 A)
 &rst
  ixpk= 378, nxpk= 25, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HN           11 LEU  HB3         5.50    (#    379:25  Preassigned    2.82, 3.08 A)
 &rst
  ixpk= 379, nxpk= 25, iat= 875, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           37 GLU  HG-         5.50    (#    380:25  Preassigned    3.34, 4.25 A)
 &rst
  ixpk= 380, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 559, 560,
 &end
#
#   57 ASP  HN           11 LEU  HB2         5.50    (#    381:25  Preassigned    2.56, 4.01 A)
 &rst
  ixpk= 381, nxpk= 25, iat= 875, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           30 ILE  QG2         5.50    (#    382:25  Preassigned    5.89, 6.24 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   15 HID  HN           14 VAL  HA          2.80    (#    385:25  Preassigned    2.23, 2.27 A)
 &rst
  ixpk= 385, nxpk= 25, iat= 210, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 HID  HN           29 ALA  HA          4.50    (#    386:25  Preassigned    3.03, 3.17 A)
 &rst
  ixpk= 386, nxpk= 25, iat= 210, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           15 HID  HB3         4.50    (#    387:25  Preassigned    3.73, 3.76 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           15 HID  HB2         4.50    (#    388:25  Preassigned    2.71, 2.77 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           29 ALA  QB          4.50    (#    389:25  Preassigned    3.52, 4.53 A)
 &rst
  ixpk= 389, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#   15 HID  HN           51 VAL  QG1         5.50    (#    390:25  Preassigned    5.74, 6.47 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 777, 778, 779,
 &end
#
#   15 HID  HN           16 VAL  QG1         4.50    (#    391:25  Preassigned    3.55, 4.80 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:392     13 VAL  QG2         5.50    (#    392:25  Single Ambig)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 210, 875,
 igr2= 204, 205, 206,
 &end
#
#   15 HID  HN           16 VAL  QG2         5.50    (#    393:25  Preassigned    3.03, 4.28 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   26 GLN  HN           26 GLN  HA          4.50    (#    394:25  Preassigned    2.88, 2.89 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           25 GLY  HA-         4.50    (#    395:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 395, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#    0 AMB  25-3:396     23 LYS  HA          3.50    (#    396:25  Single Ambig)
 &rst
  ixpk= 396, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 345, 374, 681,
 &end
#
#    0 AMB  25-3:397     22 GLU  HB2         4.50    (#    397:25  Single Ambig)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 345, 692, 374,
 &end
#
#   24 LYS  HN           24 LYS  HB3         2.80    (#    398:25  Preassigned    2.60, 2.64 A)
 &rst
  ixpk= 398, nxpk= 25, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:399     23 LYS  QD          5.50    (#    399:25  Single Ambig)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 681, 345,
 igr2= 355, 356,
 &end
#
#   26 GLN  HN           42 ALA  QB          4.50    (#    400:25  Preassigned    2.68, 3.77 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:401     23 LYS  HB2         3.50    (#    401:25  Single Ambig)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 345, 681,
 &end
#
#    0 AMB  25-3:402     23 LYS  QG          4.50    (#    402:25  Single Ambig)
 &rst
  ixpk= 402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 345, 681, 374,
 igr2= 352, 353,
 &end
#
#    0 AMB  25-3:403     23 LYS  QG          5.50    (#    403:25  Single Ambig)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 345, 681, 374,
 igr2= 352, 353,
 &end
#
#   26 GLN  HN           41 VAL  QG1         5.50    (#    404:25  Preassigned    5.03, 5.93 A)
 &rst
  ixpk= 404, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 625, 626, 627,
 &end
#
#   45 SER  HN           44 ARG  HA          2.80    (#    405:25  Preassigned    2.34, 2.39 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 681, 659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HN           25 GLY  HA+         4.50    (#    406:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#   46 GLY  HN           46 GLY  HA+         4.50    (#    407:25  Preassigned    2.70, 2.82 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 694, 695,
 &end
#
#   46 GLY  HN           46 GLY  HA-         4.50    (#    408:25  Preassigned    2.70, 2.82 A)
 &rst
  ixpk= 408, nxpk= 25, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 694, 695,
 &end
#
#    0 AMB  25-3:409     44 SER  HB3         3.50    (#    409:25  Single Ambig)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 692, 345, 681,
 &end
#
#    0 AMB  25-3:410     44 SER  HB2         3.50    (#    410:25  Single Ambig)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 681, 692,
 &end
#
#   45 SER  HN           44 ARG  QD          5.50    (#    411:25  Preassigned    5.07, 5.67 A)
 &rst
  ixpk= 411, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   26 GLN  HN           26 GLN  HG-         5.50    (#    412:25  Preassigned    4.27, 4.46 A)
 &rst
  ixpk= 412, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HN           26 GLN  HB2         3.50    (#    413:25  Preassigned    2.26, 2.42 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HN           26 GLN  HG+         5.50    (#    415:25  Preassigned    4.27, 4.46 A)
 &rst
  ixpk= 415, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HN           26 GLN  HB3         3.50    (#    416:25  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 SER  HN           44 ARG  HB2         4.50    (#    417:25  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 681, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 SER  HN           44 ARG  HB3         4.50    (#    418:25  Preassigned    3.76, 3.92 A)
 &rst
  ixpk= 418, nxpk= 25, iat= 681, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLY  HN           22 ILE  HG1+        4.50    (#    419:25  Preassigned    2.78, 3.04 A)
 &rst
  ixpk= 419, nxpk= 25, iat= 692,  -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    (#    420:25  Preassigned    2.78, 3.04 A)
 &rst
  ixpk= 420, nxpk= 25, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:421     21 ILE  QD1         4.50    (#    421:25  Single Ambig)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 692, 374, 681,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:422     67 LEU  QD1         5.50    (#    422:25  Single Ambig)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 681,
 igr2=1049,1050,1051,
 &end
#
#   46 GLY  HN           68 LEU  QD2         5.50    (#    423:25  Preassigned    3.85, 5.14 A)
 &rst
  ixpk= 423, nxpk= 25, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:424      0 AMB  25-1:424    4.50    (#    424:25  Double Ambig)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 374, 330, 681, 692,
 igr2= 337, 338, 337, 338, 337, 338, 337, 338,
 &end
#
#    0 AMB  25-3:425     22 GLU  HG-         4.50    (#    425:25  Single Ambig)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 374, 330, 681, 692,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:426     22 GLU  HB3         3.50    (#    426:25  Single Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 330, 374,
 &end
#
#   23 GLU  HN           22 ILE  HB          3.50    (#    427:25  Preassigned    2.40, 2.48 A)
 &rst
  ixpk= 427, nxpk= 25, iat= 330, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HN           22 ILE  QG2         4.50    (#    428:25  Preassigned    4.17, 4.70 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 317, 318, 319,
 &end
#
#   29 ALA  HN           27 GLU  HA          4.50    (#    429:25  Preassigned    3.64, 3.76 A)
 &rst
  ixpk= 429, nxpk= 25, iat= 422, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           29 ALA  HA          4.50    (#    430:25  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           27 GLU  HG-         5.50    (#    431:25  Preassigned    3.13, 3.55 A)
 &rst
  ixpk= 431, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           27 GLU  HG+         4.50    (#    432:25  Preassigned    3.13, 3.55 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           40 ILE  HB          4.50    (#    433:25  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 433, nxpk= 25, iat= 422, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           29 ALA  QB          4.50    (#    434:25  Preassigned    2.97, 3.50 A)
 &rst
  ixpk= 434, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#   29 ALA  HN           28 VAL  QG2         5.50    (#    435:25  Preassigned    2.72, 4.28 A)
 &rst
  ixpk= 435, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   29 ALA  HN           28 VAL  QG1         4.50    (#    436:25  Preassigned    3.32, 4.85 A)
 &rst
  ixpk= 436, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   29 ALA  HN           40 ILE  QG2         5.50    (#    437:25  Preassigned    3.54, 4.48 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 606, 607, 608,
 &end
#
#    8 ALA  HN            8 ALA  HA          4.50    (#    438:25  Preassigned    2.87, 2.93 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ALA  HN            7 MET  HA          2.80    (#    439:25  Preassigned    2.32, 2.38 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  98,  83, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 ALA  HN            7 MET  QG          4.50    (#    440:25  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-3:441      0 AMB  25-1:441    5.50    (#    441:25  Double Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 959,  98,
 igr2= 944, 945, 944, 945,
 &end
#
#    0 AMB  25-3:442     60 GLU  HG-         5.50    (#    442:25  Single Ambig)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 959,  98,
 igr2= 944, 945,
 &end
#
#    8 ALA  HN            7 MET  HB3         4.50    (#    443:25  Preassigned    2.40, 3.56 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  98,  86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:444     60 GLU  HB3         5.50    (#    444:25  Single Ambig)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 959,
 &end
#
#    8 ALA  HN            7 MET  HB2         4.50    (#    445:25  Preassigned    2.54, 2.80 A)
 &rst
  ixpk= 445, nxpk= 25, iat=  98,  85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ALA  HN           61 GLU  HB2         5.50    (#    446:25  Preassigned    3.49, 3.72 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  98, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HN            8 ALA  QB          2.80    (#    447:25  Preassigned    2.44, 2.92 A)
 &rst
  ixpk= 447, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 102, 103, 104,
 &end
#
#   73 GLN  HN           72 THR  HA          4.50    (#    448:25  Preassigned    2.22, 3.06 A)
 &rst
  ixpk= 448, nxpk= 25, iat=1109,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HN           72 THR  HB          5.50    (#    450:25  Preassigned    2.09, 3.66 A)
 &rst
  ixpk= 450, nxpk= 25, iat=1109,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HN           73 GLN  HA          5.50    (#    451:25  Preassigned    2.24, 2.85 A)
 &rst
  ixpk= 451, nxpk= 25, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HN           62 GLY  HA-         5.50    (#    452:25  Preassigned    3.32, 3.40 A)
 &rst
  ixpk= 452, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 954, 955,
 &end
#
#    0 AMB  25-3:453     60 GLU  HA          4.50    (#    453:25  Single Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 959,  98,
 &end
#
#   63 ASP  HN           63 ASP  HB2         4.50    (#    454:25  Preassigned    2.43, 2.47 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HN            0 AMB  25-1:455    5.50    (#    455:25  Single Ambig)
 &rst
  ixpk= 455, nxpk= 25, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 500, 501, 517,
 &end
#
#   63 ASP  HN            5 ILE  HB          5.50    (#    456:25  Preassigned    3.26, 3.34 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 959,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:457      4 ILE  QG2         5.50    (#    457:25  Single Ambig)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 959,  98,
 igr2=  51,  52,  53,
 &end
#
#   36 MET  HN           38 ILE  QD1         5.50    (#    458:25  Preassigned    3.87, 4.59 A)
 &rst
  ixpk= 458, nxpk= 25, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#   63 ASP  HN           59 VAL  QG1         7.00    (#    459:25  Preassigned    5.78, 6.70 A)
 &rst
  ixpk= 459, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 913, 914, 915,
 &end
#
#   36 MET  HN           35 LYS  HA          4.50    (#    461:25  Preassigned    2.81, 2.86 A)
 &rst
  ixpk= 461, nxpk= 25, iat= 535, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:462      0 AMB  25-1:462    2.80    (#    462:25  Double Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 282, 959,
 igr2= 287, 964,
 &end
#
#   36 MET  HN           36 MET  HG+         4.50    (#    463:25  Preassigned    3.36, 3.87 A)
 &rst
  ixpk= 463, nxpk= 25, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   36 MET  HN           36 MET  HG-         4.50    (#    464:25  Preassigned    3.36, 3.87 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   36 MET  HN           36 MET  HB2         4.50    (#    465:25  Preassigned    2.63, 2.69 A)
 &rst
  ixpk= 465, nxpk= 25, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HN           36 MET  HB3         4.50    (#    466:25  Preassigned    3.74, 3.79 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HN           32 GLU  HG+         5.50    (#    467:25  Preassigned    3.89, 4.44 A)
 &rst
  ixpk= 467, nxpk= 25, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   20 ASP  HN           20 ASP  HA          3.50    (#    468:25  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 468, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HN           19 GLY  HA+         4.50    (#    469:25  Preassigned    3.27, 3.38 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 277, 278,
 &end
#
#   20 ASP  HN           18 ALA  HA          4.50    (#    470:25  Preassigned    3.32, 3.41 A)
 &rst
  ixpk= 470, nxpk= 25, iat= 282, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           19 GLY  HA-         4.50    (#    471:25  Preassigned    3.27, 3.38 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 277, 278,
 &end
#
#   60 ASN  HD2+         60 ASN  HB+         4.50    (#    472:25  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 933,
 igr2= 927, 928,
 &end
#
#   20 ASP  HN           20 ASP  HB2         4.50    (#    473:25  Preassigned    2.46, 2.51 A)
 &rst
  ixpk= 473, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HD2+         60 ASN  HB-         4.50    (#    474:25  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 932, 933,
 igr2= 927, 928,
 &end
#
#   20 ASP  HN           20 ASP  HB2         4.50    (#    475:25  Preassigned    2.46, 2.51 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           48 VAL  HB          4.50    (#    476:25  Preassigned    2.40, 2.53 A)
 &rst
  ixpk= 476, nxpk= 25, iat= 282, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           18 ALA  QB          5.50    (#    477:25  Preassigned    5.14, 5.37 A)
 &rst
  ixpk= 477, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   20 ASP  HN           48 VAL  QG2         5.50    (#    478:25  Preassigned    4.03, 4.55 A)
 &rst
  ixpk= 478, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 728, 729, 730,
 &end
#
#   20 ASP  HN           47 ILE  QG2         5.50    (#    479:25  Preassigned    4.20, 5.14 A)
 &rst
  ixpk= 479, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 705, 706, 707,
 &end
#
#   20 ASP  HN           48 VAL  QG1         5.50    (#    480:25  Preassigned    4.11, 4.73 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#    9 GLY  HN            8 ALA  HA          2.80    (#    481:25  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 108, 100, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 GLY  HN            9 GLY  HA-         4.50    (#    482:25  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 482, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            8 ALA  QB          4.50    (#    483:25  Preassigned    2.91, 3.84 A)
 &rst
  ixpk= 483, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    9 GLY  HN           59 VAL  QG2         4.50    (#    484:25  Preassigned    2.85, 3.99 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 917, 918, 919,
 &end
#
#    9 GLY  HN           31 LEU  HG          5.50    (#    485:25  Preassigned    5.38, 5.50 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 108, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HN            0 AMB  25-1:486    5.50    (#    486:25  Single Ambig)
 &rst
  ixpk= 486, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   66 LEU  HN           66 LEU  HB2         5.50    (#    487:25  Preassigned    4.00, 4.03 A)
 &rst
  ixpk= 487, nxpk= 25, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           65 LEU  HB2         5.50    (#    488:25  Preassigned    3.57, 3.84 A)
 &rst
  ixpk= 488, nxpk= 25, iat=1006, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           66 LEU  QD+         5.50    (#    489:25  Preassigned    2.45, 4.54 A)
 &rst
  ixpk= 489, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HN           65 LEU  HA          5.50    (#    490:25  Preassigned    3.65, 3.65 A)
 &rst
  ixpk= 490, nxpk= 25, iat=1006, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           64 VAL  HA          5.50    (#    491:25  Preassigned    3.87, 4.03 A)
 &rst
  ixpk= 491, nxpk= 25, iat=1006, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           66 LEU  HB3         5.50    (#    492:25  Preassigned    3.43, 3.48 A)
 &rst
  ixpk= 492, nxpk= 25, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           65 LEU  HB3         4.50    (#    493:25  Preassigned    2.32, 2.51 A)
 &rst
  ixpk= 493, nxpk= 25, iat=1006, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN            0 AMB  25-1:494    5.50    (#    494:25  Single Ambig)
 &rst
  ixpk= 494, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  24,  25,  26, 981, 982, 983,
 &end
#
#   66 LEU  HN            3 VAL  QG2         5.50    (#    495:25  Preassigned    4.60, 5.51 A)
 &rst
  ixpk= 495, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   66 LEU  HN           65 LEU  QD+         5.50    (#    496:25  Preassigned    3.60, 5.07 A)
 &rst
  ixpk= 496, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   66 LEU  HN           66 LEU  QD-         5.50    (#    497:25  Preassigned    2.45, 4.54 A)
 &rst
  ixpk= 497, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HN           64 VAL  QG1         4.50    (#    498:25  Preassigned    2.61, 3.38 A)
 &rst
  ixpk= 498, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 977, 978, 979,
 &end
#
#   66 LEU  HN           65 LEU  QD-         5.50    (#    499:25  Preassigned    3.60, 5.07 A)
 &rst
  ixpk= 499, nxpk= 25, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   13 LYS  HN           13 LYS  HA          4.50    (#    500:25  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 500, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           11 LEU  HA          5.50    (#    501:25  Preassigned    3.96, 4.24 A)
 &rst
  ixpk= 501, nxpk= 25, iat= 172, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HB2         4.50    (#    502:25  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 502, nxpk= 25, iat= 172, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           12 TRP  HB3         4.50    (#    503:25  Preassigned    2.23, 2.27 A)
 &rst
  ixpk= 503, nxpk= 25, iat= 172, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           30 ILE  HB          4.50    (#    504:25  Preassigned    2.63, 2.72 A)
 &rst
  ixpk= 504, nxpk= 25, iat= 172, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           29 ALA  QB          5.50    (#    505:25  Preassigned    4.07, 5.18 A)
 &rst
  ixpk= 505, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   13 LYS  HN           13 LYS  HB3         5.50    (#    506:25  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 506, nxpk= 25, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HB2         4.50    (#    507:25  Preassigned    2.78, 2.85 A)
 &rst
  ixpk= 507, nxpk= 25, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           30 ILE  QD1         5.50    (#    508:25  Preassigned    4.66, 5.61 A)
 &rst
  ixpk= 508, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HN           30 ILE  QG2         5.50    (#    509:25  Preassigned    3.95, 4.69 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   13 LYS  HN           14 VAL  QG2         5.50    (#    510:25  Preassigned    4.16, 4.99 A)
 &rst
  ixpk= 510, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   13 LYS  HN           11 LEU  QD+         5.50    (#    511:25  Preassigned    3.83, 5.70 A)
 &rst
  ixpk= 511, 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
#
#   26 GLN  HE2+         26 GLN  HG-         4.50    (#    513:25  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE2+         26 GLN  HG+         4.50    (#    514:25  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE2+         16 VAL  QG1         4.50    (#    515:25  Preassigned    3.69, 4.94 A)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 386, 387,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE2+         28 VAL  QG2         5.50    (#    516:25  Preassigned    3.00, 5.53 A)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 416, 417, 418,
 &end
#
#   26 GLN  HE2+         22 ILE  QG2         5.50    (#    517:25  Preassigned    2.26, 4.02 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:518     21 ILE  QD1         5.50    (#    518:25  Single Ambig)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 657, 386, 387,
 igr2= 324, 325, 326,
 &end
#
#   44 ARG  HN           44 ARG  HA          4.50    (#    519:25  Preassigned    2.87, 2.90 A)
 &rst
  ixpk= 519, nxpk= 25, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           42 ALA  HA          5.50    (#    520:25  Preassigned    3.49, 3.61 A)
 &rst
  ixpk= 520, nxpk= 25, iat= 657, 637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           24 LYS  HA          5.50    (#    521:25  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 521, nxpk= 25, iat= 657, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           44 ARG  QD          5.50    (#    522:25  Preassigned    2.19, 4.84 A)
 &rst
  ixpk= 522, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-3:523      0 AMB  25-1:523    5.50    (#    523:25  Double Ambig)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 161, 220,
 igr2= 185, 186, 185, 186,
 &end
#
#    0 AMB  25-3:524     12 LYS  HE-         5.50    (#    524:25  Single Ambig)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 161, 220,
 igr2= 185, 186,
 &end
#
#   44 ARG  HN           44 ARG  HB2         5.50    (#    525:25  Preassigned    3.93, 3.97 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 657, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           44 ARG  HB3         5.50    (#    526:25  Preassigned    3.39, 3.48 A)
 &rst
  ixpk= 526, nxpk= 25, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           42 ALA  QB          4.50    (#    527:25  Preassigned    2.71, 3.73 A)
 &rst
  ixpk= 527, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#   44 ARG  HN           44 ARG  HG+         5.50    (#    528:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 528, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 664, 665,
 &end
#
#   15 HID  HE1          13 LYS  HD+         5.50    (#    529:25  Preassigned    3.13, 4.08 A)
 &rst
  ixpk= 529, nxpk= 25, iat= 220,  -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    (#    530:25  Preassigned    3.13, 4.08 A)
 &rst
  ixpk= 530, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   15 HID  HE1          30 ILE  HG1+        5.50    (#    531:25  Preassigned    3.13, 4.11 A)
 &rst
  ixpk= 531, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   15 HID  HE1          13 LYS  HB3         5.50    (#    532:25  Preassigned    2.37, 2.49 A)
 &rst
  ixpk= 532, nxpk= 25, iat= 220, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          13 LYS  HD-         5.50    (#    533:25  Preassigned    3.13, 4.08 A)
 &rst
  ixpk= 533, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   44 ARG  HN           44 ARG  HG-         5.50    (#    534:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 534, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 664, 665,
 &end
#
#   15 HID  HE1          13 LYS  HB2         5.50    (#    535:25  Preassigned    2.15, 2.25 A)
 &rst
  ixpk= 535, nxpk= 25, iat= 220, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          30 ILE  QD1         4.50    (#    536:25  Preassigned    2.72, 3.77 A)
 &rst
  ixpk= 536, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 445, 446, 447,
 &end
#
#   44 ARG  HN           68 LEU  QD1         5.50    (#    537:25  Preassigned    3.87, 4.78 A)
 &rst
  ixpk= 537, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
#    10 ASN  HD2-          10 ASN  HB2         4.50    (#    538:25  Preassigned    3.02, 3.52 A)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 124, 125,
 &end
#
#    10 ASN  HD2-          10 ASN  HB3         5.50    (#    539:25  Preassigned    3.57, 3.86 A)
 &rst
  ixpk= 539, nxpk= 25, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#    6 GLN  HE2+          6 GLN  HG+         5.50    (#    540:25  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  76,  77,
 igr2=  71,  72,
 &end
#
#    0 AMB  25-3:541      0 AMB  25-1:541    4.50    (#    541:25  Double Ambig)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 306, 307,  76,  77,
 igr2= 301, 302,  71,  72,
 &end
#
#   21 GLN  HE2-         21 GLN  HG+         5.50    (#    542:25  Preassigned    2.22, 3.24 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 306, 307,
 igr2= 301, 302,
 &end
#
#    6 GLN  HE2+         38 ILE  QG2         5.50    (#    543:25  Preassigned    5.43, 7.28 A)
 &rst
  ixpk= 543, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  76,  77,
 igr2= 573, 574, 575,
 &end
#
#   12 TRP  HE3          12 TRP  HB2         5.50    (#    544:25  Preassigned    4.03, 4.06 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 167, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE3          12 TRP  HB3         5.50    (#    545:25  Preassigned    2.58, 2.60 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 167, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE3          30 ILE  HB          4.50    (#    546:25  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 546, nxpk= 25, iat= 167, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          30 ILE  QG2         4.50    (#    547:25  Preassigned    2.48, 3.34 A)
 &rst
  ixpk= 547, nxpk= 25, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   50 GLU  HN           67 GLU  HB2         5.50    (#    549:25  Preassigned    2.64, 4.40 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 756,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#    550:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HA          5.50    (#    551:25  Preassigned    3.61, 3.64 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 756, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           50 GLU  HB2         5.50    (#    552:25  Preassigned    3.24, 3.32 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 756, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           50 GLU  HB3         5.50    (#    553:25  Preassigned    2.94, 3.04 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 756, 761, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           67 GLU  HB3         5.50    (#    554:25  Preassigned    2.65, 3.20 A)
 &rst
  ixpk= 554, nxpk= 25, iat= 756,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           49 LYS  HB2         4.50    (#    555:25  Preassigned    3.75, 3.90 A)
 &rst
  ixpk= 555, nxpk= 25, iat= 756, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HB3         4.50    (#    556:25  Preassigned    2.44, 2.61 A)
 &rst
  ixpk= 556, nxpk= 25, iat= 756, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HG+         5.50    (#    557:25  Preassigned    3.50, 4.36 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 741, 742,
 &end
#
#   50 GLU  HN           49 LYS  HG-         5.50    (#    558:25  Preassigned    3.50, 4.36 A)
 &rst
  ixpk= 558, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 741, 742,
 &end
#
#   50 GLU  HN           48 VAL  QG1         4.50    (#    559:25  Preassigned    2.98, 3.75 A)
 &rst
  ixpk= 559, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   58 PHE  HE            9 GLY  HA+         5.50    (#    560:25  Preassigned    4.96, 7.11 A)
 &rst
  ixpk= 560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 897, 901,
 igr2= 110, 111,
 &end
#
#   58 PHE  HE            9 GLY  HA-         5.50    (#    561:25  Preassigned    4.96, 7.11 A)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 897, 901,
 igr2= 110, 111,
 &end
#
#   58 PHE  HE            9 GLY  HA-         5.50    (#    562:25  Preassigned    4.96, 7.11 A)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 897, 901,
 igr2= 110, 111,
 &end
#
#   58 PHE  HE           58 PHE  HB2         5.50    (#    563:25  Preassigned    4.74, 5.10 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 897, 901,
 &end
#
#   58 PHE  HE           58 PHE  HB3         5.50    (#    564:25  Preassigned    4.67, 5.09 A)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 897, 901,
 &end
#
#    7 MET  HN            7 MET  HA          4.50    (#    565:25  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 565, nxpk= 25, iat=  81,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            6 GLN  HA          4.50    (#    566:25  Preassigned    2.97, 3.21 A)
 &rst
  ixpk= 566, nxpk= 25, iat=  81,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            5 ILE  HA          5.50    (#    567:25  Preassigned    4.08, 4.18 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  81,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN           61 GLU  HA          5.50    (#    568:25  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 568, nxpk= 25, iat=  81, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            7 MET  QG          4.50    (#    569:25  Preassigned    2.52, 3.70 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    7 MET  HN            6 GLN  HB-         5.50    (#    570:25  Preassigned    3.64, 4.33 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  68,  69,
 &end
#
#    7 MET  HN            7 MET  HB3         5.50    (#    571:25  Preassigned    3.40, 3.62 A)
 &rst
  ixpk= 571, nxpk= 25, iat=  81,  86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            7 MET  HB2         5.50    (#    572:25  Preassigned    2.82, 3.74 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  81,  85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            5 ILE  QG2         3.50    (#    573:25  Preassigned    1.75, 2.91 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  HN            0 AMB  25-1:574    5.50    (#    574:25  Single Ambig)
 &rst
  ixpk= 574, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 613, 614, 615,  58,  59,  60,
 &end
#
#   26 GLN  HE2-         22 ILE  QD1         5.50    (#    575:25  Preassigned    5.21, 6.52 A)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 324, 325, 326,
 &end
#
#    7 MET  HN           31 LEU  HG          5.50    (#    576:25  Preassigned    3.94, 4.31 A)
 &rst
  ixpk= 576, nxpk= 25, iat=  81, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            0 AMB  25-1:577    5.50    (#    577:25  Single Ambig)
 &rst
  ixpk= 577, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   26 GLN  HE2-         26 GLN  HG-         5.50    (#    578:25  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 386, 387,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE2-         26 GLN  HG+         5.50    (#    579:25  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 386, 387,
 igr2= 381, 382,
 &end
#
#    0 AMB  25-3:580      7 ALA  QB          4.50    (#    580:25  Single Ambig)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899,  81,
 igr2= 102, 103, 104,
 &end
#
#   26 GLN  HE2-         16 VAL  QG1         5.50    (#    581:25  Preassigned    3.69, 4.94 A)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE2-         28 VAL  QG2         5.50    (#    582:25  Preassigned    3.00, 5.53 A)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 416, 417, 418,
 &end
#
#   26 GLN  HE2-         22 ILE  QG2         5.50    (#    583:25  Preassigned    2.26, 4.02 A)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 386, 387,
 igr2= 317, 318, 319,
 &end
#
#   58 PHE  HD           58 PHE  HB2         4.50    (#    584:25  Preassigned    2.49, 3.09 A)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 903,
 &end
#
#   58 PHE  HD           58 PHE  HB3         4.50    (#    585:25  Preassigned    2.38, 3.08 A)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 903,
 &end
#
#   60 ASN  HD2-         60 ASN  HB+         5.50    (#    586:25  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 586, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 932, 933,
 igr2= 927, 928,
 &end
#
#   60 ASN  HD2-         60 ASN  HB-         5.50    (#    587:25  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 932, 933,
 igr2= 927, 928,
 &end
#
#   12 TRP  HD1          30 ILE  HB          7.00    (#    588:25  Preassigned    6.04, 6.13 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 156, 436, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HD1          12 TRP  HB2         5.50    (#    590:25  Preassigned    2.70, 2.74 A)
 &rst
  ixpk= 590, nxpk= 25, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HB3         5.50    (#    591:25  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 591, nxpk= 25, iat= 156, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          30 ILE  QG2         5.50    (#    592:25  Preassigned    4.93, 5.71 A)
 &rst
  ixpk= 592, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HD1          13 LYS  HG-         5.50    (#    593:25  Preassigned    5.14, 6.00 A)
 &rst
  ixpk= 593, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   53 LYS  HN           65 LEU  HA          5.50    (#    594:25  Preassigned    4.14, 4.43 A)
 &rst
  ixpk= 594, nxpk= 25, iat= 809, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           51 VAL  HA          5.50    (#    595:25  Preassigned    3.81, 3.96 A)
 &rst
  ixpk= 595, nxpk= 25, iat= 809, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           52 LYS  HA          4.50    (#    596:25  Preassigned    3.14, 3.27 A)
 &rst
  ixpk= 596, nxpk= 25, iat= 809, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           53 LYS  HB3         5.50    (#    597:25  Preassigned    3.77, 3.84 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 809, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           52 LYS  HB2         5.50    (#    598:25  Preassigned    3.51, 3.72 A)
 &rst
  ixpk= 598, nxpk= 25, iat= 809, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           53 LYS  HG+         5.50    (#    599:25  Preassigned    3.27, 3.95 A)
 &rst
  ixpk= 599, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#   53 LYS  HN           53 LYS  HG+         5.50    (#    600:25  Preassigned    3.27, 3.95 A)
 &rst
  ixpk= 600, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#   53 LYS  HN           53 LYS  HB2         4.50    (#    601:25  Preassigned    2.64, 2.76 A)
 &rst
  ixpk= 601, nxpk= 25, iat= 809, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           14 VAL  QG1         4.50    (#    602:25  Preassigned    4.52, 5.74 A)
 &rst
  ixpk= 602, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 200, 201, 202,
 &end
#
#   53 LYS  HN           65 LEU  QD+         4.50    (#    603:25  Preassigned    3.58, 6.11 A)
 &rst
  ixpk= 603, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   53 LYS  HN           51 VAL  QG2         5.50    (#    604:25  Preassigned    5.54, 5.78 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 781, 782, 783,
 &end
#
#   16 VAL  HN           14 VAL  HA          5.50    (#    605:25  Preassigned    3.99, 4.14 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 227, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           15 HID  HB3         5.50    (#    606:25  Preassigned    4.26, 4.44 A)
 &rst
  ixpk= 606, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           15 HID  HB3         5.50    (#    607:25  Preassigned    4.26, 4.44 A)
 &rst
  ixpk= 607, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           15 HID  HB2         5.50    (#    608:25  Preassigned    3.17, 3.61 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 227, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           29 ALA  QB          7.00    (#    609:25  Preassigned    4.68, 6.16 A)
 &rst
  ixpk= 609, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 426, 427, 428,
 &end
#
#   16 VAL  HN           51 VAL  QG1         4.50    (#    610:25  Preassigned    4.41, 5.44 A)
 &rst
  ixpk= 610, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 777, 778, 779,
 &end
#
#   16 VAL  HN           16 VAL  QG1         4.50    (#    611:25  Preassigned    2.48, 3.69 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HN           14 VAL  QG2         7.00    (#    612:25  Preassigned    5.41, 5.90 A)
 &rst
  ixpk= 612, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 204, 205, 206,
 &end
#
#   16 VAL  HN           16 VAL  QG2         3.50    (#    613:25  Preassigned    2.03, 2.96 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 237, 238, 239,
 &end
#
#    6 GLN  HE2-         40 ILE  HA          5.50    (#    614:25  Preassigned    3.06, 4.33 A)
 &rst
  ixpk= 614, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  76,  77,
 &end
#
#    10 ASN  HD2+          10 ASN  HB2         5.50    (#    615:25  Preassigned    3.02, 3.52 A)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#    6 GLN  HE2-         38 ILE  QG2         5.50    (#    616:25  Preassigned    5.43, 7.28 A)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  76,  77,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  25-3:617      0 AMB  25-1:617    5.50    (#    617:25  Double Ambig)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 306, 307,  76,  77,
 igr2= 301, 302,  71,  72,
 &end
#
#    10 ASN  HA            10 ASN  HB2         4.50    (#    618:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 618, nxpk= 25, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA            10 ASN  HB3         4.50    (#    619:25  Preassigned    2.61, 2.64 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           11 LEU  HB2         5.50    (#    620:25  Preassigned    4.07, 4.13 A)
 &rst
  ixpk= 620, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA           59 VAL  QG2         5.50    (#    621:25  Preassigned    2.40, 3.40 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#    10 ASN  HA            0 AMB  25-1:622    5.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   32 GLU  HA           32 GLU  HB3         4.50    (#    624:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           32 GLU  HG-         4.50    (#    625:25  Preassigned    2.47, 2.87 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HG+         4.50    (#    626:25  Preassigned    2.47, 2.87 A)
 &rst
  ixpk= 626, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HB2         4.50    (#    627:25  Preassigned    2.41, 2.46 A)
 &rst
  ixpk= 627, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           30 ILE  QG2         5.50    (#    628:25  Preassigned    4.46, 5.27 A)
 &rst
  ixpk= 628, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   32 GLU  HA           38 ILE  QD1         5.50    (#    629:25  Preassigned    3.24, 4.17 A)
 &rst
  ixpk= 629, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#    2 THR  HA            2 THR  HB          5.50    (#    630:25  Preassigned    2.50, 2.85 A)
 &rst
  ixpk= 630, nxpk= 25, iat=   6,   8, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           69 SER  QB          4.50    (#    631:25  Preassigned    4.49, 5.22 A)
 &rst
  ixpk= 631, nxpk= 25, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1063,1064,
 &end
#
#   68 LEU  HA           48 VAL  HA          3.50    (#    632:25  Preassigned    2.52, 2.71 A)
 &rst
  ixpk= 632, nxpk= 25, iat=1042, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HA           68 LEU  HB3         4.50    (#    633:25  Preassigned    2.44, 2.50 A)
 &rst
  ixpk= 633, nxpk= 25, iat=1042,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:634     67 LEU  HB2         4.50    (#    634:25  Single Ambig)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1042,   6,
 &end
#
#    0 AMB  25-3:636     67 LEU  HG          5.50    (#    636:25  Single Ambig)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=   6,1042,
 &end
#
#    2 THR  HA            2 THR  QG2         5.50    (#    637:25  Preassigned    2.36, 3.07 A)
 &rst
  ixpk= 637, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  10,  11,  12,
 &end
#
#    0 AMB  25-3:638     47 VAL  QG2         5.50    (#    638:25  Single Ambig)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1042,1008,
 igr2= 728, 729, 730,
 &end
#
#    0 AMB  25-3:639     67 LEU  QD1         5.50    (#    639:25  Single Ambig)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=   6,1042,
 igr2=1049,1050,1051,
 &end
#
#   68 LEU  HA           68 LEU  QD2         3.50    (#    640:25  Preassigned    2.19, 3.02 A)
 &rst
  ixpk= 640, nxpk= 25, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#   66 LEU  HA           51 VAL  HA          4.50    (#    641:25  Preassigned    2.17, 2.34 A)
 &rst
  ixpk= 641, nxpk= 25, iat=1008, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:642      0 AMB  25-1:642    5.50    (#    642:25  Double Ambig)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1008,   6,
 igr2= 791,1030,
 &end
#
#   66 LEU  HA           66 LEU  HB2         4.50    (#    643:25  Preassigned    2.34, 2.41 A)
 &rst
  ixpk= 643, nxpk= 25, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HA           66 LEU  HB3         4.50    (#    644:25  Preassigned    2.38, 2.42 A)
 &rst
  ixpk= 644, nxpk= 25, iat=1008,1011, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HA           52 LYS  HG-         5.50    (#    645:25  Preassigned    2.07, 3.06 A)
 &rst
  ixpk= 645, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 794, 795,
 &end
#
#   66 LEU  HA           52 LYS  HG+         5.50    (#    646:25  Preassigned    2.07, 3.06 A)
 &rst
  ixpk= 646, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 794, 795,
 &end
#
#   66 LEU  HA           14 VAL  QG1         7.00    (#    647:25  Preassigned    6.77, 7.47 A)
 &rst
  ixpk= 647, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 200, 201, 202,
 &end
#
#   66 LEU  HA           65 LEU  QD+         5.50    (#    648:25  Preassigned    3.93, 6.02 A)
 &rst
  ixpk= 648, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:649      0 AMB  25-1:649    4.50    (#    649:25  Double Ambig)
 &rst
  ixpk= 649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=   6,1042,1008,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HA           51 VAL  QG2         5.50    (#    650:25  Preassigned    4.17, 5.26 A)
 &rst
  ixpk= 650, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:651     47 VAL  QG1         5.50    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1042,1008,
 igr2= 724, 725, 726,
 &end
#
#   66 LEU  HA           64 VAL  QG1         5.50    (#    652:25  Preassigned    3.29, 4.31 A)
 &rst
  ixpk= 652, nxpk= 25, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 977, 978, 979,
 &end
#
#    4 SER  HA           64 VAL  HA          3.50    (#    653:25  Preassigned    2.26, 2.32 A)
 &rst
  ixpk= 653, nxpk= 25, iat=  36, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 SER  HA            0 AMB  25-1:654    4.50    (#    654:25  Single Ambig)
 &rst
  ixpk= 654, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#    4 SER  HA            0 AMB  25-1:655    4.50    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#    4 SER  HA            5 ILE  HB          5.50    (#    656:25  Preassigned    4.68, 4.78 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  36,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#    657:25  Preassigned    2.36, 2.38 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#    658:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 658, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#    660:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 660, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#    661:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 661, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:662      0 AMB  25-1:662    4.50    (#    662:25  Double Ambig)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  36, 313,
 igr2=  24,  25,  26, 981, 982, 983, 233, 234, 235,
 &end
#
#   22 ILE  HA           28 VAL  QG2         7.00    (#    663:25  Unique         4.83, 6.64 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#    4 SER  HA            3 VAL  QG2         7.00    (#    664:25  Preassigned    6.64, 6.90 A)
 &rst
  ixpk= 664, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  28,  29,  30,
 &end
#
#    4 SER  HA            5 ILE  QD1         5.50    (#    665:25  Preassigned    2.88, 4.77 A)
 &rst
  ixpk= 665, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#   22 ILE  HA           22 ILE  QG2         3.50    (#    666:25  Preassigned    2.45, 3.16 A)
 &rst
  ixpk= 666, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HA           22 ILE  QD1         4.50    (#    667:25  Preassigned    4.75, 5.13 A)
 &rst
  ixpk= 667, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 324, 325, 326,
 &end
#
#   58 PHE  HA           58 PHE  HB2         4.50    (#    668:25  Preassigned    2.41, 2.45 A)
 &rst
  ixpk= 668, nxpk= 25, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA           58 PHE  HB3         4.50    (#    669:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 889, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA           59 VAL  QG2         5.50    (#    670:25  Preassigned    3.53, 4.53 A)
 &rst
  ixpk= 670, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   58 PHE  HA           59 VAL  QG1         5.50    (#    671:25  Preassigned    4.15, 5.23 A)
 &rst
  ixpk= 671, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   16 VAL  HA           17 LYS  HA          4.50    (#    672:25  Preassigned    4.53, 4.54 A)
 &rst
  ixpk= 672, nxpk= 25, iat= 229, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HA           17 LYS  HG+         5.50    (#    673:25  Preassigned    3.67, 4.51 A)
 &rst
  ixpk= 673, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   16 VAL  HA           51 VAL  QG1         5.50    (#    675:25  Preassigned    6.04, 6.83 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 777, 778, 779,
 &end
#
#   16 VAL  HA           16 VAL  QG1         3.50    (#    676:25  Preassigned    2.38, 3.04 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HA           16 VAL  QG2         4.50    (#    677:25  Preassigned    3.73, 3.97 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 237, 238, 239,
 &end
#
#   16 VAL  HA           22 ILE  QG2         5.50    (#    678:25  Preassigned    4.67, 5.05 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   41 VAL  HA           27 GLU  HA          2.80    (#    679:25  Preassigned    2.09, 2.30 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 621, 393, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 LEU  HA           11 LEU  HA          3.50    (#    680:25  Preassigned    2.26, 2.46 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 453, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HA           15 HID  HB3         3.50    (#    681:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 681, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HA           15 HID  HB3         4.50    (#    682:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:683     14 HID  HB2         4.50    (#    683:25  Single Ambig)
 &rst
  ixpk= 683, nxpk= 25, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 212, 229,
 &end
#
#   41 VAL  HA           41 VAL  HB          4.50    (#    684:25  Preassigned    2.39, 2.45 A)
 &rst
  ixpk= 684, nxpk= 25, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HA           31 LEU  HB3         4.50    (#    685:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           42 ALA  QB          4.50    (#    686:25  Preassigned    4.38, 5.01 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:687     28 ALA  QB          5.50    (#    687:25  Single Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 453, 621, 212,
 igr2= 426, 427, 428,
 &end
#
#   31 LEU  HA           31 LEU  HB2         4.50    (#    688:25  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HA           30 ILE  QG2         5.50    (#    689:25  Preassigned    3.98, 4.97 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   41 VAL  HA           28 VAL  QG2         4.50    (#    690:25  Preassigned    2.26, 3.63 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   41 VAL  HA           41 VAL  QG2         4.50    (#    691:25  Preassigned    3.76, 3.96 A)
 &rst
  ixpk= 691, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 629, 630, 631,
 &end
#
#   41 VAL  HA           41 VAL  QG1         3.50    (#    692:25  Preassigned    2.56, 3.17 A)
 &rst
  ixpk= 692, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  25-3:693      0 AMB  25-1:693    5.50    (#    693:25  Double Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 453, 621,
 igr2= 613, 614, 615,  58,  59,  60,
 &end
#
#    0 AMB  25-3:694     27 VAL  QG1         4.50    (#    694:25  Single Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 621, 229,
 igr2= 412, 413, 414,
 &end
#
#   41 VAL  HA           40 ILE  QG2         5.50    (#    695:25  Preassigned    4.03, 5.09 A)
 &rst
  ixpk= 695, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 606, 607, 608,
 &end
#
#   31 LEU  HA           11 LEU  QD+         5.50    (#    696:25  Preassigned    2.55, 5.30 A)
 &rst
  ixpk= 696, nxpk= 25, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   31 LEU  HA           31 LEU  HG          5.50    (#    697:25  Preassigned    3.78, 3.81 A)
 &rst
  ixpk= 697, nxpk= 25, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HA            0 AMB  25-1:698    4.50    (#    698:25  Single Ambig)
 &rst
  ixpk= 698, nxpk= 25, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   31 LEU  HA            0 AMB  25-1:699    4.50    (#    699:25  Single Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   15 HID  HA           13 LYS  HA          7.00    (#    700:25  Preassigned    6.63, 6.85 A)
 &rst
  ixpk= 700, nxpk= 25, iat= 212, 174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HA           12 TRP  HB2         3.50    (#    701:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 701, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HA           12 TRP  HB3         4.50    (#    702:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 702, nxpk= 25, iat= 150, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 SER  HA            3 VAL  HA          5.50    (#    703:25  Preassigned    4.49, 4.51 A)
 &rst
  ixpk= 703, nxpk= 25, iat=  36,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           48 VAL  QG1         5.50    (#    710:25  Preassigned    6.43, 6.59 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   47 ILE  HA           68 LEU  QD2         5.50    (#    712:25  Preassigned    4.02, 4.95 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:713      0 AMB  25-1:713    5.50    (#    713:25  Double Ambig)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1072, 683, 701,
 igr2= 694, 695, 694, 695, 694, 695,
 &end
#
#   45 SER  HA           45 SER  HB3         2.80    (#    714:25  Preassigned    2.38, 2.42 A)
 &rst
  ixpk= 714, nxpk= 25, iat= 683, 686, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:715     45 GLY  HA-         5.50    (#    715:25  Single Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 683, 701, 296,
 igr2= 694, 695,
 &end
#
#   45 SER  HA           45 SER  HB2         3.50    (#    716:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 716, nxpk= 25, iat= 683, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HA           48 VAL  HB          5.50    (#    717:25  Preassigned    4.50, 4.61 A)
 &rst
  ixpk= 717, nxpk= 25, iat= 701, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:718     20 GLN  HG-         4.50    (#    718:25  Single Ambig)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 701,
 igr2= 301, 302,
 &end
#
#    0 AMB  25-3:719      0 AMB  25-1:719    4.50    (#    719:25  Double Ambig)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 296, 701,
 igr2= 301, 302, 301, 302,
 &end
#
#    0 AMB  25-3:720     20 GLN  QB          2.80    (#    720:25  Single Ambig)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 296, 701,
 igr2= 298, 299,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#    721:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:722     21 ILE  HB          5.50    (#    722:25  Single Ambig)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 683, 296,
 &end
#
#   45 SER  HA           24 LYS  HB2         5.50    (#    723:25  Preassigned    4.34, 4.48 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 683, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:724      0 AMB  25-1:724    4.50    (#    724:25  Double Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 683, 296,
 igr2= 321, 322, 321, 322,
 &end
#
#    0 AMB  25-3:725     46 ILE  HG1-        3.50    (#    725:25  Single Ambig)
 &rst
  ixpk= 725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 701, 296,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:726     21 ILE  HG1-        4.50    (#    726:25  Single Ambig)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 683, 296,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:727     47 VAL  QG2         3.50    (#    727:25  Single Ambig)
 &rst
  ixpk= 727, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 296, 701,
 igr2= 728, 729, 730,
 &end
#
#    0 AMB  25-3:728     21 ILE  QG2         4.50    (#    728:25  Single Ambig)
 &rst
  ixpk= 728, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 701,
 igr2= 317, 318, 319,
 &end
#
#   47 ILE  HA           47 ILE  QG2         3.50    (#    729:25  Preassigned    2.58, 3.24 A)
 &rst
  ixpk= 729, nxpk= 25, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  25-3:730     21 ILE  QD1         4.50    (#    730:25  Single Ambig)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 683, 296, 701,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:731     23 LYS  HA          4.50    (#    731:25  Single Ambig)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 683, 647,
 &end
#
#   43 ASP  HA           43 ASP  HB2         4.50    (#    732:25  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 732, nxpk= 25, iat= 647, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HA           43 ASP  HB2         4.50    (#    733:25  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 647, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HA           43 ASP  HB3         4.50    (#    734:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 647, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HA           43 ASP  HB3         4.50    (#    735:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 735, nxpk= 25, iat= 647, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:736     23 LYS  QD          5.50    (#    736:25  Single Ambig)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 647, 683,
 igr2= 355, 356,
 &end
#
#    0 AMB  25-3:737     41 ALA  QB          4.50    (#    737:25  Single Ambig)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 683, 647,
 igr2= 639, 640, 641,
 &end
#
#   43 ASP  HA           24 LYS  QG          3.50    (#    738:25  Preassigned    3.36, 4.23 A)
 &rst
  ixpk= 738, nxpk= 25, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 352, 353,
 &end
#
#   28 VAL  HA           15 HID  HB2         5.50    (#    739:25  Preassigned    2.31, 2.79 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           60 ASN  HB+         3.50    (#    740:25  Preassigned    2.77, 2.87 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 927, 928,
 &end
#
#   60 ASN  HA           60 ASN  HB-         3.50    (#    741:25  Preassigned    2.77, 2.87 A)
 &rst
  ixpk= 741, nxpk= 25, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 927, 928,
 &end
#
#   67 GLU  HA           67 GLU  HG+         4.50    (#    742:25  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 742, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1032,1033,
 &end
#
#   67 GLU  HA           67 GLU  HG-         5.50    (#    743:25  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 743, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1032,1033,
 &end
#
#   67 GLU  HA           67 GLU  HG-         5.50    (#    744:25  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 744, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1032,1033,
 &end
#
#   67 GLU  HA           67 GLU  HB2         4.50    (#    745:25  Preassigned    2.42, 2.55 A)
 &rst
  ixpk= 745, nxpk= 25, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HA           53 LYS  HD-         2.80    (#    746:25  Preassigned    2.10, 2.69 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 819, 820,
 &end
#
#   53 LYS  HA           53 LYS  HB3         4.50    (#    747:25  Preassigned    2.48, 2.54 A)
 &rst
  ixpk= 747, nxpk= 25, iat= 811, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HA           67 GLU  HB3         4.50    (#    748:25  Preassigned    2.40, 2.96 A)
 &rst
  ixpk= 748, nxpk= 25, iat=1027,1030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HA           54 LYS  QB          5.50    (#    749:25  Preassigned    4.24, 4.99 A)
 &rst
  ixpk= 749, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   53 LYS  HA           53 LYS  HD+         4.50    (#    750:25  Preassigned    2.10, 2.69 A)
 &rst
  ixpk= 750, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 819, 820,
 &end
#
#   60 ASN  HA            8 ALA  QB          3.50    (#    751:25  Preassigned    2.85, 3.90 A)
 &rst
  ixpk= 751, nxpk= 25, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 102, 103, 104,
 &end
#
#   53 LYS  HA            0 AMB  25-1:752    5.50    (#    752:25  Single Ambig)
 &rst
  ixpk= 752, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 816, 817, 838, 839,
 &end
#
#   53 LYS  HA           53 LYS  HB2         4.50    (#    753:25  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:755     13 VAL  QG1         5.50    (#    755:25  Single Ambig)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 811,
 igr2= 200, 201, 202,
 &end
#
#   28 VAL  HA           65 LEU  QD+         5.50    (#    756:25  Preassigned    4.86, 6.70 A)
 &rst
  ixpk= 756, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   67 GLU  HA           66 LEU  QD-         5.50    (#    757:25  Preassigned    3.15, 5.58 A)
 &rst
  ixpk= 757, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  25-3:758     58 VAL  QG1         5.50    (#    758:25  Single Ambig)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 811, 925,
 igr2= 913, 914, 915,
 &end
#
#   67 GLU  HA           64 VAL  QG1         5.50    (#    759:25  Preassigned    4.45, 4.91 A)
 &rst
  ixpk= 759, nxpk= 25, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 977, 978, 979,
 &end
#
#   60 ASN  HA           59 VAL  QG2         5.50    (#    760:25  Preassigned    4.35, 5.42 A)
 &rst
  ixpk= 760, nxpk= 25, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   33 SER  HA            9 GLY  HA+         5.50    (#    762:25  Preassigned    3.76, 3.94 A)
 &rst
  ixpk= 762, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    8 ALA  HA            9 GLY  HA-         5.50    (#    763:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 763, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HA            9 GLY  HA-         5.50    (#    764:25  Preassigned    3.76, 3.94 A)
 &rst
  ixpk= 764, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HA           33 SER  HB2         3.50    (#    765:25  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 765, nxpk= 25, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 SER  HA           33 SER  HB3         4.50    (#    766:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 766, nxpk= 25, iat= 487, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           15 HID  HB3         5.50    (#    767:25  Preassigned    4.00, 4.51 A)
 &rst
  ixpk= 767, nxpk= 25, iat= 408, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HA           15 HID  HB2         4.50    (#    768:25  Preassigned    2.31, 2.79 A)
 &rst
  ixpk= 768, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           29 ALA  QB          5.50    (#    770:25  Preassigned    4.87, 5.62 A)
 &rst
  ixpk= 770, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   28 VAL  HA           16 VAL  QG1         3.50    (#    771:25  Unique         2.46, 3.73 A)
 &rst
  ixpk= 771, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 233, 234, 235,
 &end
#
#   28 VAL  HA           28 VAL  QG2         3.50    (#    772:25  Preassigned    2.37, 3.52 A)
 &rst
  ixpk= 772, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HA           16 VAL  QG2         5.50    (#    773:25  Preassigned    4.16, 5.35 A)
 &rst
  ixpk= 773, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   28 VAL  HA           28 VAL  QG1         4.50    (#    774:25  Preassigned    2.38, 3.19 A)
 &rst
  ixpk= 774, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   39 PRO  HA           39 PRO  HB+         3.50    (#    775:25  Preassigned    2.30, 2.54 A)
 &rst
  ixpk= 775, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 593, 594,
 &end
#
#   39 PRO  HA           27 GLU  HG-         5.50    (#    776:25  Preassigned    3.47, 4.48 A)
 &rst
  ixpk= 776, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   39 PRO  HA           39 PRO  HB-         4.50    (#    777:25  Preassigned    2.30, 2.54 A)
 &rst
  ixpk= 777, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 593, 594,
 &end
#
#    0 AMB  25-3:778     39 ILE  HB          5.50    (#    778:25  Single Ambig)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 596, 408,
 &end
#
#    0 AMB  25-3:779     29 ILE  QD1         4.50    (#    779:25  Single Ambig)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 596, 554,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HA           41 VAL  QG1         7.00    (#    780:25  Preassigned    4.78, 5.80 A)
 &rst
  ixpk= 780, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 625, 626, 627,
 &end
#
#   39 PRO  HA           40 ILE  QD1         5.50    (#    781:25  Preassigned    4.97, 5.81 A)
 &rst
  ixpk= 781, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 613, 614, 615,
 &end
#
#   39 PRO  HA           30 ILE  HA          3.50    (#    782:25  Preassigned    2.32, 2.45 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 596, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ILE  HA           39 PRO  HD+         2.80    (#    783:25  Preassigned    2.13, 2.40 A)
 &rst
  ixpk= 783, nxpk= 25, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 587, 588,
 &end
#
#   38 ILE  HA           39 PRO  HD-         2.80    (#    784:25  Preassigned    2.13, 2.40 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 587, 588,
 &end
#
#   57 ASP  HA           57 ASP  HB3         4.50    (#    787:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 787, nxpk= 25, iat= 877, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HA           57 ASP  HB2         3.50    (#    788:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 788, nxpk= 25, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           57 ASP  HB2         3.50    (#    789:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 789, nxpk= 25, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:790      0 AMB  25-1:790    4.50    (#    790:25  Double Ambig)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 596, 569,
 igr2= 590, 591, 590, 591,
 &end
#
#    0 AMB  25-3:791     38 PRO  HG-         4.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 596, 569,
 igr2= 590, 591,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#    792:25  Preassigned    2.47, 3.05 A)
 &rst
  ixpk= 792, nxpk= 25, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#    0 AMB  25-3:793     37 ILE  HB          4.50    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 569, 554,
 &end
#
#   37 GLU  HA           37 GLU  HB2         4.50    (#    794:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 794, nxpk= 25, iat= 554, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HA           37 GLU  HB3         4.50    (#    795:25  Preassigned    2.43, 2.44 A)
 &rst
  ixpk= 795, nxpk= 25, iat= 554, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#    796:25  Preassigned    2.47, 3.05 A)
 &rst
  ixpk= 796, nxpk= 25, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   38 ILE  HA           38 ILE  HG1+        4.50    (#    797:25  Preassigned    2.48, 3.11 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 577, 578,
 &end
#
#   38 ILE  HA           38 ILE  HG1-        4.50    (#    798:25  Preassigned    2.48, 3.11 A)
 &rst
  ixpk= 798, nxpk= 25, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 577, 578,
 &end
#
#   39 PRO  HA           30 ILE  HG1-        5.50    (#    799:25  Preassigned    2.26, 2.93 A)
 &rst
  ixpk= 799, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   39 PRO  HA           30 ILE  HG1-        5.50    (#    800:25  Preassigned    2.26, 2.93 A)
 &rst
  ixpk= 800, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:801     29 ILE  QG2         3.50    (#    801:25  Single Ambig)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 596, 554, 569,
 igr2= 438, 439, 440,
 &end
#
#   38 ILE  HA           38 ILE  QG2         3.50    (#    802:25  Preassigned    2.41, 3.09 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 573, 574, 575,
 &end
#
#   37 GLU  HA           38 ILE  QD1         4.50    (#    803:25  Unique         2.49, 3.59 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 580, 581, 582,
 &end
#
#   57 ASP  HA           59 VAL  QG1         5.50    (#    804:25  Preassigned    5.27, 6.53 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   36 MET  HA           36 MET  HG+         4.50    (#    805:25  Preassigned    2.47, 3.00 A)
 &rst
  ixpk= 805, nxpk= 25, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   36 MET  HA           36 MET  HB3         4.50    (#    806:25  Preassigned    2.53, 2.56 A)
 &rst
  ixpk= 806, nxpk= 25, iat= 537, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ALA  HA            8 ALA  QB          2.80    (#    807:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 807, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 102, 103, 104,
 &end
#
#    8 ALA  HA            5 ILE  QG2         5.50    (#    808:25  Preassigned    4.35, 5.38 A)
 &rst
  ixpk= 808, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    8 ALA  HA           59 VAL  QG2         4.50    (#    809:25  Preassigned    3.84, 5.28 A)
 &rst
  ixpk= 809, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 917, 918, 919,
 &end
#
#    8 ALA  HA            0 AMB  25-1:810    5.50    (#    810:25  Single Ambig)
 &rst
  ixpk= 810, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   71 SER  HA           71 SER  QB          3.50    (#    811:25  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 811, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1088,1089,
 &end
#
#    0 AMB  25-3:812     17 ALA  HA          5.50    (#    812:25  Single Ambig)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 284,
 &end
#
#   20 ASP  HA           20 ASP  HB3         3.50    (#    813:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 284, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HA           20 ASP  HB2         3.50    (#    814:25  Preassigned    2.52, 2.53 A)
 &rst
  ixpk= 814, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 MET  HA           36 MET  HG-         4.50    (#    815:25  Preassigned    2.47, 3.00 A)
 &rst
  ixpk= 815, nxpk= 25, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   27 GLU  HA           27 GLU  HG-         4.50    (#    816:25  Preassigned    2.44, 2.83 A)
 &rst
  ixpk= 816, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HB+         4.50    (#    817:25  Preassigned    2.33, 2.76 A)
 &rst
  ixpk= 817, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 395, 396,
 &end
#
#   36 MET  HA           36 MET  HB2         4.50    (#    818:25  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 818, nxpk= 25, iat= 537, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HA           27 GLU  HB-         4.50    (#    819:25  Preassigned    2.33, 2.76 A)
 &rst
  ixpk= 819, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 395, 396,
 &end
#
#   27 GLU  HA           27 GLU  HG+         4.50    (#    820:25  Preassigned    2.44, 2.83 A)
 &rst
  ixpk= 820, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   20 ASP  HA           21 GLN  QB          5.50    (#    821:25  Preassigned    4.37, 4.52 A)
 &rst
  ixpk= 821, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   20 ASP  HA           21 GLN  QB          5.50    (#    822:25  Preassigned    4.37, 4.52 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   17 LYS  HA           17 LYS  QB          2.80    (#    823:25  Preassigned    2.42, 2.46 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 247, 248,
 &end
#
#    0 AMB  25-3:824     16 LYS  HG-         4.50    (#    824:25  Single Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 284, 245,
 igr2= 250, 251,
 &end
#
#   17 LYS  HA           18 ALA  QB          4.50    (#    825:25  Preassigned    4.66, 5.24 A)
 &rst
  ixpk= 825, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:826      0 AMB  25-1:826    5.50    (#    826:25  Double Ambig)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 284, 245,
 igr2= 250, 251, 250, 251,
 &end
#
#   27 GLU  HA           28 VAL  QG2         4.50    (#    827:25  Preassigned    3.43, 4.67 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   27 GLU  HA           41 VAL  QG2         4.50    (#    828:25  Preassigned    5.11, 5.39 A)
 &rst
  ixpk= 828, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 629, 630, 631,
 &end
#
#   17 LYS  HA           51 VAL  QG2         3.50    (#    829:25  Preassigned    2.35, 3.18 A)
 &rst
  ixpk= 829, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 781, 782, 783,
 &end
#
#   27 GLU  HA           41 VAL  QG1         3.50    (#    830:25  Preassigned    2.04, 3.07 A)
 &rst
  ixpk= 830, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 625, 626, 627,
 &end
#
#   17 LYS  HA           16 VAL  QG2         5.50    (#    831:25  Preassigned    3.82, 4.94 A)
 &rst
  ixpk= 831, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   20 ASP  HA           22 ILE  QG2         5.50    (#    832:25  Preassigned    5.69, 6.50 A)
 &rst
  ixpk= 832, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   27 GLU  HA           28 VAL  QG1         5.50    (#    833:25  Preassigned    4.02, 5.63 A)
 &rst
  ixpk= 833, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:834      0 AMB  25-1:834    5.50    (#    834:25  Double Ambig)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 284, 393,
 igr2= 705, 706, 707, 606, 607, 608,
 &end
#
#   17 LYS  HA           48 VAL  QG1         5.50    (#    835:25  Preassigned    3.89, 4.94 A)
 &rst
  ixpk= 835, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   54 LYS  HA           54 LYS  QB          2.80    (#    836:25  Preassigned    2.40, 2.46 A)
 &rst
  ixpk= 836, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 835, 836,
 &end
#
#    0 AMB  25-3:837      0 AMB  25-1:837    4.50    (#    837:25  Double Ambig)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 284, 833,
 igr2= 253, 254, 841, 842,
 &end
#
#   54 LYS  HA           54 LYS  HG+         4.50    (#    838:25  Preassigned    3.71, 3.81 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 838, 839,
 &end
#
#   54 LYS  HA           54 LYS  HG-         5.50    (#    839:25  Preassigned    3.71, 3.81 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#    0 AMB  25-3:840     13 VAL  QG1         4.50    (#    840:25  Single Ambig)
 &rst
  ixpk= 840, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 833, 245,
 igr2= 200, 201, 202,
 &end
#
#   13 LYS  HA           55 GLU  HA          5.50    (#    841:25  Unique         2.72, 3.07 A)
 &rst
  ixpk= 841, nxpk= 25, iat= 174, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           55 GLU  HG+         4.50    (#    842:25  Preassigned    2.08, 2.78 A)
 &rst
  ixpk= 842, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#    0 AMB  25-3:843     13 VAL  HB          5.50    (#    843:25  Single Ambig)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 833, 174,
 &end
#
#   13 LYS  HA           11 LEU  QD+         5.50    (#    844:25  Preassigned    5.12, 6.85 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 174,  -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    (#    845:25  Preassigned    3.94, 6.49 A)
 &rst
  ixpk= 845, nxpk= 25, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:846     13 VAL  HA          5.50    (#    846:25  Single Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#   30 ILE  HA           29 ALA  HA          5.50    (#    847:25  Preassigned    4.57, 4.59 A)
 &rst
  ixpk= 847, nxpk= 25, iat= 434, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HA            4 SER  HB2         5.50    (#    848:25  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 848, nxpk= 25, iat=  20,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HA           63 ASP  HB3         4.50    (#    849:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 849, nxpk= 25, iat= 961, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HA           63 ASP  HB2         4.50    (#    850:25  Preassigned    2.55, 2.56 A)
 &rst
  ixpk= 850, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HA           63 ASP  HB2         4.50    (#    851:25  Preassigned    2.55, 2.56 A)
 &rst
  ixpk= 851, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HA           55 GLU  HG-         4.50    (#    852:25  Preassigned    2.08, 2.78 A)
 &rst
  ixpk= 852, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   13 LYS  HA           55 GLU  QB          4.50    (#    853:25  Preassigned    2.51, 3.73 A)
 &rst
  ixpk= 853, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 857, 858,
 &end
#
#   30 ILE  HA           30 ILE  HB          5.50    (#    854:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 854, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           13 LYS  HD+         4.50    (#    855:25  Preassigned    2.18, 3.95 A)
 &rst
  ixpk= 855, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 182, 183,
 &end
#
#   30 ILE  HA           29 ALA  QB          5.50    (#    856:25  Preassigned    4.41, 4.93 A)
 &rst
  ixpk= 856, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   30 ILE  HA           30 ILE  HG1+        4.50    (#    857:25  Preassigned    2.51, 2.74 A)
 &rst
  ixpk= 857, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   13 LYS  HA           13 LYS  HB3         4.50    (#    858:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 174, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HA           13 LYS  HD-         4.50    (#    859:25  Preassigned    2.18, 3.95 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 182, 183,
 &end
#
#   13 LYS  HA           13 LYS  HB2         4.50    (#    860:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 860, nxpk= 25, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HA           30 ILE  HG1-        4.50    (#    861:25  Preassigned    2.51, 2.74 A)
 &rst
  ixpk= 861, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:862     29 ILE  QD1         4.50    (#    862:25  Single Ambig)
 &rst
  ixpk= 862, 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
#
#   30 ILE  HA           30 ILE  QG2         3.50    (#    863:25  Preassigned    2.66, 3.28 A)
 &rst
  ixpk= 863, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HA           38 ILE  QG2         5.50    (#    864:25  Preassigned    5.54, 6.63 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   13 LYS  HA           13 LYS  HG-         5.50    (#    865:25  Preassigned    2.30, 2.97 A)
 &rst
  ixpk= 865, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   30 ILE  HA           40 ILE  HA          5.50    (#    866:25  Preassigned    5.00, 5.09 A)
 &rst
  ixpk= 866, nxpk= 25, iat= 434, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:867      3 SER  HB3         5.50    (#    867:25  Single Ambig)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 961,  20,
 &end
#
#    7 MET  HA           61 GLU  HA          4.50    (#    868:25  Preassigned    3.47, 3.65 A)
 &rst
  ixpk= 868, nxpk= 25, iat=  83, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HA           24 LYS  HA          5.50    (#    869:25  Preassigned    3.05, 3.18 A)
 &rst
  ixpk= 869, nxpk= 25, iat= 659, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HA           53 LYS  QE          4.50    (#    870:25  Preassigned    3.21, 3.90 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:871      0 AMB  25-1:871    5.50    (#    871:25  Double Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 909, 961,
 igr2= 927, 928, 927, 928,
 &end
#
#    7 MET  HA            7 MET  QG          4.50    (#    872:25  Preassigned    2.54, 3.80 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    7 MET  HA           61 GLU  HG+         4.50    (#    873:25  Preassigned    3.80, 4.50 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 944, 945,
 &end
#
#   59 VAL  HA           59 VAL  HB          3.50    (#    874:25  Preassigned    2.53, 2.55 A)
 &rst
  ixpk= 874, nxpk= 25, iat= 909, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HA            7 MET  HB3         3.50    (#    875:25  Preassigned    2.38, 2.43 A)
 &rst
  ixpk= 875, nxpk= 25, iat=  83,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HA           44 ARG  HB2         3.50    (#    876:25  Preassigned    2.37, 2.46 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 659, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HA            7 MET  HB2         3.50    (#    877:25  Preassigned    2.43, 2.60 A)
 &rst
  ixpk= 877, nxpk= 25, iat=  83,  85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 VAL  HA            3 VAL  HB          5.50    (#    878:25  Preassigned    3.01, 3.04 A)
 &rst
  ixpk= 878, nxpk= 25, iat=  20,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA           61 GLU  HB2         4.50    (#    879:25  Preassigned    2.33, 2.57 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  83, 941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HA           42 ALA  QB          5.50    (#    880:25  Preassigned    4.66, 5.47 A)
 &rst
  ixpk= 880, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:881      0 AMB  25-1:881    5.50    (#    881:25  Double Ambig)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 659,  20,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:882      0 AMB  25-1:882    5.50    (#    882:25  Double Ambig)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 659,  20,
 igr2= 664, 665, 664, 665,
 &end
#
#   44 ARG  HA           24 LYS  HB2         4.50    (#    884:25  Preassigned    2.24, 2.34 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 659, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:885     43 ARG  HG-         5.50    (#    885:25  Single Ambig)
 &rst
  ixpk= 885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659,  20,
 igr2= 664, 665,
 &end
#
#    0 AMB  25-3:887      0 AMB  25-1:887    3.50    (#    887:25  Double Ambig)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  20, 961,
 igr2=  24,  25,  26, 981, 982, 983,
 &end
#
#    0 AMB  25-3:888      4 ILE  QG2         5.50    (#    888:25  Single Ambig)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  83, 909,
 igr2=  51,  52,  53,
 &end
#
#    3 VAL  HA            3 VAL  QG2         3.50    (#    889:25  Preassigned    2.57, 3.26 A)
 &rst
  ixpk= 889, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  28,  29,  30,
 &end
#
#   59 VAL  HA           59 VAL  QG1         2.80    (#    890:25  Preassigned    2.34, 2.98 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  25-3:891      0 AMB  25-1:891    4.50    (#    891:25  Double Ambig)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 909, 434,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   59 VAL  HA           59 VAL  QG2         4.50    (#    892:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 892, nxpk= 25, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  25-3:893     67 LEU  QD1         5.50    (#    893:25  Single Ambig)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  20, 659,
 igr2=1049,1050,1051,
 &end
#
#    0 AMB  25-3:894      0 AMB  25-1:894    5.50    (#    894:25  Double Ambig)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=  83, 434,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   44 ARG  HA           45 SER  HB3         7.00    (#    895:25  Preassigned    5.69, 5.74 A)
 &rst
  ixpk= 895, nxpk= 25, iat= 659, 686, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   44 ARG  HA           45 SER  HB2         5.50    (#    896:25  Preassigned    4.89, 4.93 A)
 &rst
  ixpk= 896, nxpk= 25, iat= 659, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           69 SER  QB          3.50    (#    897:25  Preassigned    2.37, 2.73 A)
 &rst
  ixpk= 897, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1063,1064,
 &end
#
#    0 AMB  25-3:899     43 ARG  QD          5.50    (#    899:25  Single Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 659,  20,
 igr2= 667, 668,
 &end
#
#   44 ARG  HA           44 ARG  HB3         3.50    (#    900:25  Preassigned    2.40, 2.45 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 659, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:901      0 AMB  25-1:901    4.50    (#    901:25  Double Ambig)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1061, 659,
 igr2= 744, 745, 355, 356,
 &end
#
#   69 SER  HA           49 LYS  HB2         5.50    (#    902:25  Preassigned    2.15, 2.83 A)
 &rst
  ixpk= 902, nxpk= 25, iat=1061, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HD-         5.50    (#    903:25  Preassigned    2.31, 3.77 A)
 &rst
  ixpk= 903, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   44 ARG  HA           24 LYS  QG          4.50    (#    904:25  Preassigned    2.58, 3.69 A)
 &rst
  ixpk= 904, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#   44 ARG  HA           24 LYS  QG          5.50    (#    905:25  Preassigned    2.58, 3.69 A)
 &rst
  ixpk= 905, nxpk= 25, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
#   19 GLY  HA+          47 ILE  QG2         3.50    (#    908:25  Preassigned    2.59, 4.05 A)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 277, 278,
 igr2= 705, 706, 707,
 &end
#
#    0 AMB  25-3:909     17 ALA  HA          5.50    (#    909:25  Single Ambig)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 758, 277, 278,
 &end
#
#   50 GLU  HA           50 GLU  HB3         4.50    (#    910:25  Preassigned    3.04, 3.06 A)
 &rst
  ixpk= 910, nxpk= 25, iat= 758, 761, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HA           18 ALA  QB          3.50    (#    911:25  Preassigned    2.52, 3.64 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 269, 270, 271,
 &end
#
#    6 GLN  HA            5 ILE  HA          5.50    (#    912:25  Preassigned    4.43, 4.46 A)
 &rst
  ixpk= 912, nxpk= 25, iat=  66,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HA          4.50    (#    913:25  Preassigned    2.32, 2.70 A)
 &rst
  ixpk= 913, nxpk= 25, iat=  66, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HA            6 GLN  HG+         4.50    (#    914:25  Preassigned    2.54, 3.40 A)
 &rst
  ixpk= 914, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HB+         4.50    (#    915:25  Preassigned    2.29, 2.58 A)
 &rst
  ixpk= 915, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  68,  69,
 &end
#
#    6 GLN  HA            6 GLN  HG-         4.50    (#    916:25  Preassigned    2.54, 3.40 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HG-         5.50    (#    917:25  Preassigned    2.54, 3.40 A)
 &rst
  ixpk= 917, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#   50 GLU  HA           50 GLU  HG+         4.50    (#    918:25  Preassigned    2.32, 2.98 A)
 &rst
  ixpk= 918, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 763, 764,
 &end
#
#    6 GLN  HA           61 GLU  HG+         5.50    (#    919:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 919, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 944, 945,
 &end
#
#    6 GLN  HA           61 GLU  HG+         5.50    (#    920:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 944, 945,
 &end
#
#    6 GLN  HA           61 GLU  HG-         5.50    (#    922:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 922, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 944, 945,
 &end
#
#    6 GLN  HA            6 GLN  HB-         4.50    (#    923:25  Preassigned    2.29, 2.58 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  68,  69,
 &end
#
#   50 GLU  HA           50 GLU  HB2         4.50    (#    924:25  Preassigned    2.50, 2.55 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HA           50 GLU  HG-         5.50    (#    925:25  Preassigned    2.32, 2.98 A)
 &rst
  ixpk= 925, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#    6 GLN  HA            5 ILE  QG2         5.50    (#    926:25  Preassigned    4.05, 5.21 A)
 &rst
  ixpk= 926, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   50 GLU  HA           51 VAL  QG2         4.50    (#    928:25  Preassigned    3.45, 4.51 A)
 &rst
  ixpk= 928, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 781, 782, 783,
 &end
#
#   50 GLU  HA           48 VAL  QG1         4.50    (#    929:25  Preassigned    3.34, 4.42 A)
 &rst
  ixpk= 929, nxpk= 25, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   72 THR  HA           72 THR  HB          3.50    (#    930:25  Preassigned    2.55, 2.80 A)
 &rst
  ixpk= 930, nxpk= 25, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           69 SER  QB          5.50    (#    931:25  Preassigned    4.36, 5.34 A)
 &rst
  ixpk= 931, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1063,1064,
 &end
#
#   72 THR  HA           72 THR  QG2         4.50    (#    932:25  Preassigned    2.37, 3.05 A)
 &rst
  ixpk= 932, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1101,1102,1103,
 &end
#
#   49 LYS  HA           48 VAL  HA          5.50    (#    933:25  Preassigned    4.45, 4.49 A)
 &rst
  ixpk= 933, nxpk= 25, iat= 736, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HD+         5.50    (#    934:25  Preassigned    2.29, 4.43 A)
 &rst
  ixpk= 934, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   49 LYS  HA           49 LYS  HB2         3.50    (#    935:25  Preassigned    2.40, 2.48 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LEU  HA           65 LEU  HB3         4.50    (#    936:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 936, nxpk= 25, iat= 989, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           49 LYS  HB3         4.50    (#    937:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           49 LYS  HG+         4.50    (#    938:25  Preassigned    2.40, 2.90 A)
 &rst
  ixpk= 938, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 741, 742,
 &end
#
#   65 LEU  HA            0 AMB  25-1:939    5.50    (#    939:25  Single Ambig)
 &rst
  ixpk= 939, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 994,  55,  56,
 &end
#
#   65 LEU  HA           53 LYS  HB2         5.50    (#    940:25  Preassigned    2.93, 3.17 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 989, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HG-         4.50    (#    941:25  Preassigned    2.40, 2.90 A)
 &rst
  ixpk= 941, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 741, 742,
 &end
#
#   65 LEU  HA           65 LEU  HB2         4.50    (#    942:25  Preassigned    2.42, 2.49 A)
 &rst
  ixpk= 942, nxpk= 25, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HA           53 LYS  HG-         5.50    (#    943:25  Preassigned    2.43, 2.73 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#   65 LEU  HA           65 LEU  QD+         2.80    (#    944:25  Preassigned    2.26, 3.88 A)
 &rst
  ixpk= 944, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   65 LEU  HA           65 LEU  QD-         5.50    (#    945:25  Preassigned    2.26, 3.88 A)
 &rst
  ixpk= 945, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   62 GLY  HA+           4 SER  HB2         5.50    (#    946:25  Preassigned    3.13, 4.19 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 954, 955,
 &end
#
#   25 GLY  HA+          24 LYS  HA          5.50    (#    947:25  Preassigned    4.38, 4.43 A)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   11 LEU  HA           11 LEU  HB3         4.50    (#    948:25  Preassigned    2.68, 2.98 A)
 &rst
  ixpk= 948, nxpk= 25, iat= 131, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           29 ALA  QB          5.50    (#    949:25  Preassigned    4.59, 5.67 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   11 LEU  HA           11 LEU  HG          5.50    (#    951:25  Preassigned    2.56, 2.88 A)
 &rst
  ixpk= 951, nxpk= 25, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:953     58 VAL  QG1         5.50    (#    953:25  Single Ambig)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 989,
 igr2= 913, 914, 915,
 &end
#
#   25 GLY  HA+          41 VAL  QG1         4.50    (#    954:25  Preassigned    3.64, 5.12 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 369, 370,
 igr2= 625, 626, 627,
 &end
#
#   11 LEU  HA           59 VAL  QG2         5.50    (#    955:25  Preassigned    3.07, 3.82 A)
 &rst
  ixpk= 955, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   49 LYS  HA           48 VAL  QG1         4.50    (#    956:25  Preassigned    4.54, 5.57 A)
 &rst
  ixpk= 956, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   11 LEU  HA           11 LEU  QD+         3.50    (#    957:25  Preassigned    2.12, 3.75 A)
 &rst
  ixpk= 957, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HA           11 LEU  QD-         4.50    (#    958:25  Preassigned    2.12, 3.75 A)
 &rst
  ixpk= 958, 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
#
#   11 LEU  HA            0 AMB  25-1:959    4.50    (#    959:25  Single Ambig)
 &rst
  ixpk= 959, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   11 LEU  HA           32 GLU  HB3         5.50    (#    960:25  Preassigned    5.02, 5.29 A)
 &rst
  ixpk= 960, nxpk= 25, iat= 131, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HA+          41 VAL  HB          4.50    (#    961:25  Preassigned    2.41, 3.33 A)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   40 ILE  HA           40 ILE  HB          4.50    (#    962:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 962, nxpk= 25, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           66 LEU  HB3         5.50    (#    963:25  Preassigned    2.40, 2.67 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 773,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:964      0 AMB  25-1:964    4.50    (#    964:25  Double Ambig)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 131,
 igr2= 610, 611, 610, 611,
 &end
#
#    0 AMB  25-3:965     39 ILE  HG1-        4.50    (#    965:25  Single Ambig)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 602, 131,
 igr2= 610, 611,
 &end
#
#   51 VAL  HA           14 VAL  QG1         5.50    (#    966:25  Preassigned    5.39, 6.29 A)
 &rst
  ixpk= 966, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   40 ILE  HA           38 ILE  QG2         5.50    (#    967:25  Preassigned    4.74, 6.05 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   25 GLY  HA+          41 VAL  QG2         4.50    (#    968:25  Preassigned    2.57, 4.29 A)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 369, 370,
 igr2= 629, 630, 631,
 &end
#
#   51 VAL  HA           51 VAL  QG2         2.80    (#    969:25  Preassigned    2.62, 3.27 A)
 &rst
  ixpk= 969, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 781, 782, 783,
 &end
#
#   40 ILE  HA           40 ILE  QD1         3.50    (#    970:25  Preassigned    2.28, 3.17 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 613, 614, 615,
 &end
#
#   40 ILE  HA           40 ILE  QG2         3.50    (#    972:25  Preassigned    2.53, 3.21 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 606, 607, 608,
 &end
#
#   72 THR  HB           72 THR  HA          3.50    (#    973:25  Preassigned    2.55, 2.80 A)
 &rst
  ixpk= 973, nxpk= 25, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  HA           52 LYS  HE-         5.50    (#    974:25  Preassigned    2.49, 4.25 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 800, 801,
 &end
#
#   52 LYS  HA           52 LYS  HE+         5.50    (#    975:25  Preassigned    2.49, 4.25 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 800, 801,
 &end
#
#   52 LYS  HA           52 LYS  HB3         3.50    (#    976:25  Preassigned    2.41, 2.46 A)
 &rst
  ixpk= 976, nxpk= 25, iat= 789, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:977     49 GLU  HG-         5.50    (#    977:25  Single Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 789, 773,
 igr2= 763, 764,
 &end
#
#   51 VAL  HA           52 LYS  HB2         4.50    (#    978:25  Preassigned    4.40, 4.52 A)
 &rst
  ixpk= 978, nxpk= 25, iat= 773, 791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           66 LEU  HB2         5.50    (#    979:25  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 979, nxpk= 25, iat= 773,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HA           52 LYS  QD          3.50    (#    980:25  Preassigned    2.27, 2.87 A)
 &rst
  ixpk= 980, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 797, 798,
 &end
#
#   51 VAL  HA           52 LYS  HG-         4.50    (#    981:25  Preassigned    3.19, 4.29 A)
 &rst
  ixpk= 981, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 794, 795,
 &end
#
#    0 AMB  25-3:982      0 AMB  25-1:982    4.50    (#    982:25  Double Ambig)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 789, 773,
 igr2= 794, 795, 794, 795,
 &end
#
#   51 VAL  HA           66 LEU  QD+         5.50    (#    983:25  Preassigned    4.33, 5.53 A)
 &rst
  ixpk= 983, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   72 THR  HB           72 THR  QG2         4.50    (#    984:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 984, nxpk= 25, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1101,1102,1103,
 &end
#
#    0 AMB  25-3:985     26 GLU  HA          5.50    (#    985:25  Single Ambig)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 376, 637,
 &end
#
#   42 ALA  HA           42 ALA  QB          2.80    (#    986:25  Preassigned    2.39, 2.67 A)
 &rst
  ixpk= 986, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 639, 640, 641,
 &end
#
#   42 ALA  HA            3 VAL  QG1         4.50    (#    987:25  Preassigned    2.20, 3.26 A)
 &rst
  ixpk= 987, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  24,  25,  26,
 &end
#
#   42 ALA  HA           28 VAL  QG2         5.50    (#    988:25  Preassigned    2.57, 3.62 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   42 ALA  HA            3 VAL  QG2         4.50    (#    989:25  Preassigned    2.80, 4.10 A)
 &rst
  ixpk= 989, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   26 GLN  HA           41 VAL  QG1         5.50    (#    990:25  Unique         4.11, 5.33 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  25-3:991     27 VAL  QG1         5.50    (#    991:25  Single Ambig)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 637, 376,
 igr2= 412, 413, 414,
 &end
#
#   42 ALA  HA           22 ILE  QD1         5.50    (#    992:25  Preassigned    2.91, 4.06 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   26 GLN  HA           26 GLN  HG-         4.50    (#    993:25  Preassigned    2.47, 2.83 A)
 &rst
  ixpk= 993, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HB2         4.50    (#    994:25  Preassigned    2.52, 2.57 A)
 &rst
  ixpk= 994, nxpk= 25, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HA           26 GLN  HG+         4.50    (#    995:25  Preassigned    2.47, 2.83 A)
 &rst
  ixpk= 995, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HB3         4.50    (#    996:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 996, nxpk= 25, iat= 376, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  HA           22 ILE  QG2         5.50    (#    997:25  Preassigned    5.08, 6.36 A)
 &rst
  ixpk= 997, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   73 GLN  HA           73 GLN  HB-         5.50    (#   1001:25  Preassigned    2.39, 2.70 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1113,1114,
 &end
#
#   46 GLY  HA+          68 LEU  QD1         4.50    (#   1002:25  Preassigned    2.24, 4.42 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 694, 695,
 igr2=1049,1050,1051,
 &end
#
#   46 GLY  HA+          68 LEU  QD2         4.50    (#   1003:25  Preassigned    2.60, 4.66 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 694, 695,
 igr2=1053,1054,1055,
 &end
#
#    2 THR  HB            2 THR  QG2         4.50    (#   1004:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=   8,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  10,  11,  12,
 &end
#
#    9 GLY  HA+          33 SER  HB2         5.50    (#   1009:25  Preassigned    2.13, 2.59 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA+          31 LEU  HG          5.50    (#   1011:25  Preassigned    4.09, 5.07 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    0 AMB  25-3:1012     0 AMB  25-1:1012   4.50    (#   1012:25  Double Ambig)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 110, 111, 110, 111,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:1013    32 SER  HB3         5.50    (#   1013:25  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 498,
 &end
#
#   34 MET  HA           34 MET  HG+         5.50    (#   1014:25  Preassigned    2.51, 3.33 A)
 &rst
  ixpk= 1014, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#   34 MET  HA           34 MET  HG-         4.50    (#   1015:25  Preassigned    2.51, 3.33 A)
 &rst
  ixpk= 1015, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 503, 504,
 &end
#
#   34 MET  HA           34 MET  QB          3.50    (#   1016:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1016, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 500, 501,
 &end
#
#   14 VAL  HA           13 LYS  HA          5.50    (#   1018:25  Preassigned    4.52, 4.56 A)
 &rst
  ixpk= 1018, nxpk= 25, iat= 196, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1019    43 ARG  HA          5.50    (#   1019:25  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 686, 694, 695,
 &end
#
#   14 VAL  HA           14 VAL  HB          4.50    (#   1022:25  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  HA           51 VAL  QG1         5.50    (#   1023:25  Preassigned    5.96, 6.60 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 777, 778, 779,
 &end
#
#   14 VAL  HA           14 VAL  QG2         3.50    (#   1024:25  Preassigned    2.45, 3.15 A)
 &rst
  ixpk= 1024, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 204, 205, 206,
 &end
#
#   14 VAL  HA           16 VAL  QG2         5.50    (#   1025:25  Preassigned    4.46, 5.50 A)
 &rst
  ixpk= 1025, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   46 GLY  HA-          68 LEU  QD1         5.50    (#   1026:25  Preassigned    2.24, 4.42 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 694, 695,
 igr2=1049,1050,1051,
 &end
#
#   46 GLY  HA-          68 LEU  QD2         5.50    (#   1027:25  Preassigned    2.60, 4.66 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 694, 695,
 igr2=1053,1054,1055,
 &end
#
#    5 ILE  HA            6 GLN  HA          5.50    (#   1028:25  Preassigned    4.43, 4.46 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  47,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           29 ALA  QB          2.80    (#   1029:25  Preassigned    2.46, 2.68 A)
 &rst
  ixpk= 1029, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#   29 ALA  HA           30 ILE  HG1+        4.50    (#   1030:25  Preassigned    3.65, 4.46 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   29 ALA  HA           30 ILE  HG1-        4.50    (#   1031:25  Preassigned    3.65, 4.46 A)
 &rst
  ixpk= 1031, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:1032     0 AMB  25-1:1032   5.50    (#   1032:25  Double Ambig)
 &rst
  ixpk= 1032, 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
#
#    5 ILE  HA            5 ILE  QG2         3.50    (#   1033:25  Preassigned    2.47, 3.15 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HA            0 AMB  25-1:1035   4.50    (#   1035:25  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   29 ALA  HA           28 VAL  QG1         7.00    (#   1037:25  Preassigned    4.47, 6.25 A)
 &rst
  ixpk= 1037, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 412, 413, 414,
 &end
#
#    5 ILE  HA           40 ILE  QG2         4.50    (#   1038:25  Preassigned    3.01, 3.98 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 606, 607, 608,
 &end
#
#    0 AMB  25-3:1039     0 AMB  25-1:1039   5.50    (#   1039:25  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 196,  47,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    5 ILE  HA           59 VAL  QG2         5.50    (#   1040:25  Preassigned    5.71, 6.71 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#    9 GLY  HA-           8 ALA  QB          5.50    (#   1041:25  Preassigned    4.24, 5.20 A)
 &rst
  ixpk= 1041, 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
#
#   29 ALA  HA           30 ILE  QG2         5.50    (#   1042:25  Preassigned    6.57, 6.67 A)
 &rst
  ixpk= 1042, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#    9 GLY  HA-          31 LEU  HG          5.50    (#   1043:25  Preassigned    4.09, 5.07 A)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA-           0 AMB  25-1:1044   4.50    (#   1044:25  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 110, 111,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   39 PRO  HD+          38 ILE  HA          2.80    (#   1045:25  Preassigned    2.13, 2.40 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 587, 588,
 &end
#
#   39 PRO  HD+          39 PRO  HB+         5.50    (#   1046:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 587, 588,
 igr2= 593, 594,
 &end
#
#   39 PRO  HD+          39 PRO  HG+         4.50    (#   1047:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 587, 588,
 igr2= 590, 591,
 &end
#
#   39 PRO  HD+          39 PRO  HG-         3.50    (#   1048:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 587, 588,
 igr2= 590, 591,
 &end
#
#   39 PRO  HD+          39 PRO  HB-         5.50    (#   1049:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 587, 588,
 igr2= 593, 594,
 &end
#
#   39 PRO  HD+          38 ILE  QG2         4.50    (#   1050:25  Preassigned    2.35, 3.72 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 587, 588,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  25-3:1051    37 ILE  QD1         5.50    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 110, 111, 587, 588,
 igr2= 580, 581, 582,
 &end
#
#   71 SER  QB           71 SER  HA          3.50    (#   1052:25  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1088,1089,
 &end
#
#   64 VAL  HA            0 AMB  25-1:1056   4.50    (#   1056:25  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#   64 VAL  HA            0 AMB  25-1:1057   4.50    (#   1057:25  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#   64 VAL  HA           64 VAL  HB          4.50    (#   1058:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1058, nxpk= 25, iat= 973, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA           64 VAL  QG2         3.50    (#   1059:25  Preassigned    2.48, 3.18 A)
 &rst
  ixpk= 1059, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 981, 982, 983,
 &end
#
#   69 SER  QB           69 SER  HA          3.50    (#   1061:25  Preassigned    2.37, 2.73 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           49 LYS  HA          5.50    (#   1062:25  Preassigned    4.36, 5.34 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           49 LYS  HB2         5.50    (#   1063:25  Preassigned    3.48, 4.26 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           47 ILE  HB          4.50    (#   1064:25  Preassigned    2.26, 3.12 A)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           49 LYS  HB2         5.50    (#   1065:25  Preassigned    3.48, 4.26 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           49 LYS  HB3         5.50    (#   1066:25  Preassigned    5.19, 5.92 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           49 LYS  HB3         5.50    (#   1067:25  Preassigned    5.19, 5.92 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   69 SER  QB           47 ILE  QG2         4.50    (#   1068:25  Preassigned    2.72, 4.98 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1063,1064,
 igr2= 705, 706, 707,
 &end
#
#   39 PRO  HD-          38 ILE  HA          2.80    (#   1069:25  Preassigned    2.13, 2.40 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 587, 588,
 &end
#
#   39 PRO  HD-          39 PRO  HB+         5.50    (#   1070:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 587, 588,
 igr2= 593, 594,
 &end
#
#   39 PRO  HD-          39 PRO  HG+         3.50    (#   1071:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 587, 588,
 igr2= 590, 591,
 &end
#
#   39 PRO  HD-          39 PRO  HG-         4.50    (#   1072:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 587, 588,
 igr2= 590, 591,
 &end
#
#   39 PRO  HD-          39 PRO  HB-         4.50    (#   1073:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 587, 588,
 igr2= 593, 594,
 &end
#
#   39 PRO  HD-          38 ILE  QG2         4.50    (#   1074:25  Preassigned    2.35, 3.72 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 587, 588,
 igr2= 573, 574, 575,
 &end
#
#   39 PRO  HD-          38 ILE  QD1         5.50    (#   1075:25  Preassigned    5.93, 6.59 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 587, 588,
 igr2= 580, 581, 582,
 &end
#
#   56 GLY  HA-          55 GLU  HA          4.50    (#   1077:25  Preassigned    4.35, 4.43 A)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 870, 871,
 &end
#
#   48 VAL  HA           48 VAL  QG2         3.50    (#   1078:25  Preassigned    2.49, 3.15 A)
 &rst
  ixpk= 1078, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 728, 729, 730,
 &end
#
#   48 VAL  HA           66 LEU  QD-         5.50    (#   1080:25  Preassigned    2.88, 4.95 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   48 VAL  HA           68 LEU  QD1         7.00    (#   1081:25  Preassigned    5.16, 5.78 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1049,1050,1051,
 &end
#
#   48 VAL  HA           68 LEU  QD2         3.50    (#   1082:25  Preassigned    1.98, 2.85 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#   48 VAL  HA           49 LYS  HA          5.50    (#   1083:25  Preassigned    4.45, 4.49 A)
 &rst
  ixpk= 1083, nxpk= 25, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2           9 GLY  HA+         5.50    (#   1084:25  Preassigned    2.13, 2.59 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 489,  -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    (#   1085:25  Preassigned    2.13, 2.59 A)
 &rst
  ixpk= 1085, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   48 VAL  HA           68 LEU  HG          5.50    (#   1086:25  Preassigned    4.02, 4.31 A)
 &rst
  ixpk= 1086, nxpk= 25, iat= 720,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           68 LEU  HG          5.50    (#   1087:25  Preassigned    4.02, 4.31 A)
 &rst
  ixpk= 1087, nxpk= 25, iat= 720,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2          38 ILE  QD1         4.50    (#   1090:25  Preassigned    3.94, 4.75 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 580, 581, 582,
 &end
#
#   48 VAL  HA           47 ILE  QG2         5.50    (#   1092:25  Preassigned    4.44, 5.31 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 705, 706, 707,
 &end
#
#   33 SER  HB2          31 LEU  HG          5.50    (#   1093:25  Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 1093, nxpk= 25, iat= 489, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2           0 AMB  25-1:1094   5.50    (#   1094:25  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   35 LYS  HA           34 MET  HA          5.50    (#   1095:25  Preassigned    4.69, 4.84 A)
 &rst
  ixpk= 1095, nxpk= 25, iat= 515, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HA           48 VAL  HB          3.50    (#   1096:25  Preassigned    2.87, 3.09 A)
 &rst
  ixpk= 1096, nxpk= 25, iat= 267, 722, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HA           35 LYS  HB2         4.50    (#   1097:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1097, nxpk= 25, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1098     0 AMB  25-1:1098   5.50    (#   1098:25  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 515, 489, 267,
 igr2= 477, 478, 763, 764,
 &end
#
#   35 LYS  HA           35 LYS  HB3         3.50    (#   1099:25  Preassigned    2.44, 2.45 A)
 &rst
  ixpk= 1099, nxpk= 25, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1100     0 AMB  25-1:1100   4.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 515, 489,
 igr2= 477, 478, 477, 478,
 &end
#
#   35 LYS  HA           35 LYS  HD+         5.50    (#   1101:25  Preassigned    2.28, 4.05 A)
 &rst
  ixpk= 1101, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 LYS  HA           35 LYS  HD-         5.50    (#   1102:25  Preassigned    2.28, 4.05 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 LYS  HA           35 LYS  HG+         4.50    (#   1103:25  Preassigned    2.46, 3.02 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 LYS  HA           35 LYS  HG-         4.50    (#   1104:25  Preassigned    2.46, 3.02 A)
 &rst
  ixpk= 1104, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   18 ALA  HA           51 VAL  QG2         4.50    (#   1105:25  Preassigned    3.31, 4.42 A)
 &rst
  ixpk= 1105, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:1106    47 VAL  QG1         2.80    (#   1106:25  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 267, 720,
 igr2= 724, 725, 726,
 &end
#
#   18 ALA  HA           18 ALA  QB          2.80    (#   1108:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1108, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#   55 GLU  HA           56 GLY  HA-         4.50    (#   1110:25  Preassigned    4.35, 4.43 A)
 &rst
  ixpk= 1110, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 870, 871,
 &end
#
#   55 GLU  HA           55 GLU  HG+         4.50    (#   1111:25  Preassigned    2.48, 2.99 A)
 &rst
  ixpk= 1111, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   55 GLU  HA           55 GLU  HG-         4.50    (#   1112:25  Preassigned    2.48, 2.99 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   55 GLU  HA           55 GLU  QB          3.50    (#   1113:25  Preassigned    2.40, 2.75 A)
 &rst
  ixpk= 1113, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 857, 858,
 &end
#
#   55 GLU  HA           11 LEU  HB3         5.50    (#   1114:25  Preassigned    2.64, 3.60 A)
 &rst
  ixpk= 1114, nxpk= 25, iat= 855, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HB2         5.50    (#   1115:25  Preassigned    3.45, 5.17 A)
 &rst
  ixpk= 1115, nxpk= 25, iat= 855, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HG          7.00    (#   1116:25  Preassigned    3.63, 4.32 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 855, 136, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HA           14 VAL  QG2         4.50    (#   1117:25  Preassigned    2.50, 3.94 A)
 &rst
  ixpk= 1117, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   55 GLU  HA           11 LEU  QD+         5.50    (#   1118:25  Preassigned    3.89, 5.82 A)
 &rst
  ixpk= 1118, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HA           11 LEU  QD-         5.50    (#   1119:25  Preassigned    3.89, 5.82 A)
 &rst
  ixpk= 1119, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1122    63 VAL  HA          5.50    (#   1122:25  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#    0 AMB  25-3:1123    60 GLU  HA          4.50    (#   1123:25  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 954, 955,  39,  38,
 &end
#
#    0 AMB  25-3:1124     0 AMB  25-1:1124   5.50    (#   1124:25  Double Ambig)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  39,  38, 954, 955,
 igr2= 981, 982, 983,  24,  25,  26,
 &end
#
#    0 AMB  25-3:1125     0 AMB  25-1:1125   5.50    (#   1125:25  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 490,  38,
 igr2= 577, 578,  55,  56,
 &end
#
#   33 SER  HB3          38 ILE  QD1         4.50    (#   1126:25  Preassigned    2.79, 3.68 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 580, 581, 582,
 &end
#
#   33 SER  HB3          31 LEU  HG          5.50    (#   1127:25  Preassigned    4.95, 5.01 A)
 &rst
  ixpk= 1127, nxpk= 25, iat= 490, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HA-          41 VAL  HB          5.50    (#   1128:25  Preassigned    2.41, 3.33 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA-          41 VAL  QG2         5.50    (#   1129:25  Preassigned    2.57, 4.29 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 629, 630, 631,
 &end
#
#   25 GLY  HA-          41 VAL  QG1         3.50    (#   1130:25  Preassigned    3.64, 5.12 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 369, 370,
 igr2= 625, 626, 627,
 &end
#
#   19 GLY  HA-          18 ALA  HA          4.50    (#   1131:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   19 GLY  HA-          18 ALA  QB          5.50    (#   1132:25  Preassigned    4.53, 5.31 A)
 &rst
  ixpk= 1132, 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
#
#   19 GLY  HA-          47 ILE  QG2         4.50    (#   1133:25  Preassigned    2.59, 4.05 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 277, 278,
 igr2= 705, 706, 707,
 &end
#
#   61 GLU  HA            6 GLN  HA          4.50    (#   1134:25  Preassigned    2.32, 2.70 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 939,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA           61 GLU  HG+         4.50    (#   1135:25  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 1135, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 944, 945,
 &end
#
#   61 GLU  HA           61 GLU  HG-         4.50    (#   1136:25  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 1136, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 944, 945,
 &end
#
#   61 GLU  HA           61 GLU  HB3         4.50    (#   1137:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1137, nxpk= 25, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA           61 GLU  HB2         4.50    (#   1138:25  Preassigned    2.41, 2.44 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA            5 ILE  QG2         5.50    (#   1139:25  Preassigned    3.64, 4.97 A)
 &rst
  ixpk= 1139, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   61 GLU  HA            7 MET  HA          5.50    (#   1140:25  Preassigned    3.47, 3.65 A)
 &rst
  ixpk= 1140, nxpk= 25, iat= 939,  83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HA           24 LYS  HB3         4.50    (#   1141:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1141, nxpk= 25, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           24 LYS  QD          5.50    (#   1142:25  Preassigned    4.17, 4.54 A)
 &rst
  ixpk= 1142, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 355, 356,
 &end
#
#   24 LYS  HA           42 ALA  QB          4.50    (#   1143:25  Preassigned    2.62, 3.58 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#   24 LYS  HA           24 LYS  HB2         4.50    (#   1144:25  Preassigned    2.47, 2.49 A)
 &rst
  ixpk= 1144, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           24 LYS  QG          4.50    (#   1145:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#   15 HID  HB3          16 VAL  QG1         5.50    (#   1146:25  Preassigned    4.78, 5.99 A)
 &rst
  ixpk= 1146, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   12 TRP  HB2          11 LEU  HA          5.50    (#   1147:25  Preassigned    4.29, 4.36 A)
 &rst
  ixpk= 1147, nxpk= 25, iat= 152, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          32 GLU  HB3         5.50    (#   1148:25  Preassigned    3.04, 3.43 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 152, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          30 ILE  HB          5.50    (#   1149:25  Preassigned    3.90, 4.06 A)
 &rst
  ixpk= 1149, nxpk= 25, iat= 152, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          32 GLU  HB2         4.50    (#   1150:25  Preassigned    2.30, 2.41 A)
 &rst
  ixpk= 1150, nxpk= 25, iat= 152, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          30 ILE  QG2         5.50    (#   1151:25  Preassigned    2.69, 3.78 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   44 ARG  QD           44 ARG  HB2         4.50    (#   1152:25  Preassigned    2.65, 3.39 A)
 &rst
  ixpk= 1152, nxpk= 25, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#   44 ARG  QD           44 ARG  HB3         4.50    (#   1153:25  Preassigned    2.32, 3.28 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 667, 668,
 &end
#
#   44 ARG  QD           68 LEU  QD1         4.50    (#   1154:25  Preassigned    2.28, 3.98 A)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667, 668,
 igr2=1049,1050,1051,
 &end
#
#   44 ARG  QD           44 ARG  HG+         4.50    (#   1155:25  Preassigned    2.25, 2.60 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 667, 668,
 igr2= 664, 665,
 &end
#
#   44 ARG  QD           44 ARG  HG-         4.50    (#   1156:25  Preassigned    2.25, 2.60 A)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 667, 668,
 igr2= 664, 665,
 &end
#
#   54 LYS  QE           54 LYS  QB          5.50    (#   1158:25  Preassigned    2.13, 4.29 A)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 844, 845,
 igr2= 835, 836,
 &end
#
#    0 AMB  25-3:1159     0 AMB  25-1:1159   2.80    (#   1159:25  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 256, 257, 844, 845,
 igr2= 253, 254, 841, 842,
 &end
#
#   17 LYS  QE           17 LYS  HG-         5.50    (#   1160:25  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   54 LYS  QE           54 LYS  HG+         4.50    (#   1161:25  Preassigned    2.47, 3.19 A)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 838, 839,
 &end
#
#   54 LYS  QE           54 LYS  HG-         4.50    (#   1162:25  Preassigned    2.47, 3.19 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 838, 839,
 &end
#
#   17 LYS  QE           17 LYS  HG+         5.50    (#   1163:25  Preassigned    2.39, 2.99 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   12 TRP  HB3          11 LEU  HA          5.50    (#   1164:25  Preassigned    4.60, 4.67 A)
 &rst
  ixpk= 1164, nxpk= 25, iat= 153, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          32 GLU  HB2         5.50    (#   1165:25  Preassigned    3.89, 4.08 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 153, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          30 ILE  QG2         4.50    (#   1166:25  Preassigned    2.24, 3.12 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   24 LYS  QE           44 ARG  HA          5.50    (#   1169:25  Preassigned    2.75, 4.67 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &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= 4.44, r4= 4.94,
 igr1= 358, 359, 747, 748,
 igr2= 355, 356, 744, 745,
 &end
#
#    0 AMB  25-3:1172     0 AMB  25-1:1172   3.50    (#   1172:25  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 800, 801, 358, 359,
 igr2= 794, 795, 352, 353,
 &end
#
#   53 LYS  QE           59 VAL  HA          5.50    (#   1173:25  Preassigned    3.21, 3.90 A)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   53 LYS  QE           63 ASP  HB2         4.50    (#   1174:25  Preassigned    4.39, 4.94 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#   53 LYS  QE           63 ASP  HB2         4.50    (#   1175:25  Preassigned    4.39, 4.94 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#   52 LYS  HE-           0 AMB  25-1:1176   5.50    (#   1176:25  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 800, 801,
 igr2=1029, 792,
 &end
#
#   53 LYS  QE           53 LYS  HD-         4.50    (#   1177:25  Preassigned    2.38, 2.72 A)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,
 igr2= 819, 820,
 &end
#
#   52 LYS  HE-          67 GLU  HB3         5.50    (#   1178:25  Unique         2.18, 4.49 A)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 800, 801,
 &end
#
#   53 LYS  QE           53 LYS  HD+         2.80    (#   1179:25  Preassigned    2.38, 2.72 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 822, 823,
 igr2= 819, 820,
 &end
#
#   52 LYS  HE-          52 LYS  QD          5.50    (#   1180:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 800, 801,
 igr2= 797, 798,
 &end
#
#   53 LYS  QE           53 LYS  HG+         4.50    (#   1181:25  Preassigned    2.40, 2.97 A)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,
 igr2= 816, 817,
 &end
#
#   49 LYS  QE           49 LYS  HG+         5.50    (#   1182:25  Preassigned    2.30, 3.20 A)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 747, 748,
 igr2= 741, 742,
 &end
#
#   52 LYS  HE-          52 LYS  HG-         5.50    (#   1183:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 800, 801,
 igr2= 794, 795,
 &end
#
#   53 LYS  QE           59 VAL  QG1         4.50    (#   1184:25  Preassigned    1.96, 3.68 A)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823,
 igr2= 913, 914, 915,
 &end
#
#   52 LYS  HE-          64 VAL  QG1         5.50    (#   1185:25  Preassigned    2.92, 5.00 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 800, 801,
 igr2= 977, 978, 979,
 &end
#
#   53 LYS  QE            5 ILE  QD1         5.50    (#   1186:25  Preassigned    2.86, 6.53 A)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823,
 igr2=  58,  59,  60,
 &end
#
#   53 LYS  QE           59 VAL  QG2         5.50    (#   1187:25  Preassigned    5.60, 6.55 A)
 &rst
  ixpk= 1187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823,
 igr2= 917, 918, 919,
 &end
#
#   49 LYS  QE           49 LYS  HD-         4.50    (#   1188:25  Preassigned    2.39, 2.68 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 747, 748,
 igr2= 744, 745,
 &end
#
#   49 LYS  QE           49 LYS  HG-         4.50    (#   1189:25  Preassigned    2.30, 3.20 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 747, 748,
 igr2= 741, 742,
 &end
#
#   57 ASP  HB3          57 ASP  HA          4.50    (#   1190:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 880, 877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB3          53 LYS  HB3         5.50    (#   1191:25  Preassigned    2.82, 3.18 A)
 &rst
  ixpk= 1191, nxpk= 25, iat= 880, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB3          11 LEU  QD+         5.50    (#   1192:25  Preassigned    2.56, 5.59 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HB3          11 LEU  QD-         5.50    (#   1193:25  Preassigned    2.56, 5.59 A)
 &rst
  ixpk= 1193, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HB3          59 VAL  QG1         4.50    (#   1194:25  Preassigned    3.09, 4.32 A)
 &rst
  ixpk= 1194, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 913, 914, 915,
 &end
#
#   20 ASP  HB3          20 ASP  HA          4.50    (#   1195:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1195, nxpk= 25, iat= 287, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          63 ASP  HA          4.50    (#   1196:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1196, nxpk= 25, iat= 964, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          48 VAL  HB          5.50    (#   1197:25  Preassigned    2.68, 2.81 A)
 &rst
  ixpk= 1197, nxpk= 25, iat= 287, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3           5 ILE  HB          5.50    (#   1198:25  Preassigned    2.90, 3.06 A)
 &rst
  ixpk= 1198, nxpk= 25, iat= 964,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1199     0 AMB  25-1:1199   4.50    (#   1199:25  Double Ambig)
 &rst
  ixpk= 1199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 287, 214, 800, 801,
 igr2= 233, 234, 235, 981, 982, 983,
 &end
#
#   20 ASP  HB3          48 VAL  QG2         4.50    (#   1200:25  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 1200, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 728, 729, 730,
 &end
#
#    0 AMB  25-3:1201    15 VAL  QG2         5.50    (#   1201:25  Single Ambig)
 &rst
  ixpk= 1201, 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
#
#   63 ASP  HB3           5 ILE  QD1         5.50    (#   1202:25  Preassigned    2.58, 5.61 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#   20 ASP  HB3          22 ILE  QG2         5.50    (#   1203:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1203, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   63 ASP  HB3          59 VAL  HB          4.50    (#   1204:25  Preassigned    3.10, 3.24 A)
 &rst
  ixpk= 1204, nxpk= 25, iat= 964, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1205     0 AMB  25-1:1205   5.50    (#   1205:25  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 800, 801, 800, 801,
 igr2=1029, 792,
 &end
#
#    0 AMB  25-3:1206     0 AMB  25-1:1206   5.50    (#   1206:25  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 800, 801, 800, 801,
 igr2=1029, 792,
 &end
#
#   52 LYS  HE+          52 LYS  QD          4.50    (#   1207:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 800, 801,
 igr2= 797, 798,
 &end
#
#   63 ASP  HB3           5 ILE  QG2         5.50    (#   1208:25  Preassigned    4.69, 5.33 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    10 ASN  HB2          32 GLU  HB3         5.50    (#   1209:25  Preassigned    2.84, 3.06 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 119, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2          32 GLU  HB2         5.50    (#   1210:25  Preassigned    4.51, 4.77 A)
 &rst
  ixpk= 1210, nxpk= 25, iat= 119, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HG+          34 MET  HA          5.50    (#   1211:25  Preassigned    2.51, 3.33 A)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   34 MET  HG+          34 MET  QB          3.50    (#   1214:25  Preassigned    2.28, 2.73 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 503, 504,
 igr2= 500, 501,
 &end
#
#   57 ASP  HB2          57 ASP  HA          3.50    (#   1215:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 1215, nxpk= 25, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HB2          53 LYS  HD+         5.50    (#   1216:25  Preassigned    3.83, 4.51 A)
 &rst
  ixpk= 1216, nxpk= 25, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 819, 820,
 &end
#
#    0 AMB  25-3:1217    58 VAL  QG1         5.50    (#   1217:25  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 879, 927, 928,
 igr2= 913, 914, 915,
 &end
#
#   60 ASN  HB+          59 VAL  HA          5.50    (#   1219:25  Preassigned    3.74, 4.39 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
#   60 ASN  HB+           8 ALA  QB          5.50    (#   1221:25  Preassigned    4.81, 5.89 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 927, 928,
 igr2= 102, 103, 104,
 &end
#
#   36 MET  HG+          36 MET  HB2         3.50    (#   1222:25  Preassigned    2.39, 2.65 A)
 &rst
  ixpk= 1222, nxpk= 25, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 &end
#
#   36 MET  HG+          38 ILE  QD1         5.50    (#   1223:25  Preassigned    4.33, 5.97 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 542, 543,
 igr2= 580, 581, 582,
 &end
#
#   20 ASP  HB2          20 ASP  HA          2.80    (#   1224:25  Preassigned    2.52, 2.53 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HB-          59 VAL  HA          5.50    (#   1225:25  Preassigned    3.74, 4.39 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
#   34 MET  HG-          34 MET  HA          4.50    (#   1226:25  Preassigned    2.51, 3.33 A)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   36 MET  HG-          36 MET  HB3         4.50    (#   1228:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 542, 543,
 &end
#
#   20 ASP  HB2          48 VAL  QG2         5.50    (#   1230:25  Preassigned    4.01, 4.87 A)
 &rst
  ixpk= 1230, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 728, 729, 730,
 &end
#
#   20 ASP  HB2          22 ILE  QG2         5.50    (#   1232:25  Preassigned    5.21, 5.95 A)
 &rst
  ixpk= 1232, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:1234     0 AMB  25-1:1234   3.50    (#   1234:25  Double Ambig)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 503, 504, 542, 543,
 igr2= 500, 501, 517,
 &end
#
#    0 AMB  25-3:1235     0 AMB  25-1:1235   3.50    (#   1235:25  Double Ambig)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 503, 504, 542, 543,
 igr2= 500, 501, 517,
 &end
#
#    6 GLN  HG+           6 GLN  HA          5.50    (#   1236:25  Preassigned    2.54, 3.40 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    6 GLN  HG+           6 GLN  HB+         2.80    (#   1237:25  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  71,  72,
 igr2=  68,  69,
 &end
#
#    6 GLN  HG+           6 GLN  HB-         3.50    (#   1240:25  Preassigned    2.28, 2.72 A)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  71,  72,
 igr2=  68,  69,
 &end
#
#   39 PRO  HB+          39 PRO  HD+         5.50    (#   1241:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 593, 594,
 igr2= 587, 588,
 &end
#
#   39 PRO  HB+          39 PRO  HD-         5.50    (#   1242:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 593, 594,
 igr2= 587, 588,
 &end
#
#   39 PRO  HB+          39 PRO  HG+         3.50    (#   1243:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 593, 594,
 igr2= 590, 591,
 &end
#
#   39 PRO  HB+          39 PRO  HG-         3.50    (#   1244:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 593, 594,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:1245    29 ILE  QD1         5.50    (#   1245:25  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 593, 594, 185, 186,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HB+          41 VAL  QG2         5.50    (#   1246:25  Preassigned    4.49, 6.57 A)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 593, 594,
 igr2= 629, 630, 631,
 &end
#
#   39 PRO  HB+          41 VAL  QG1         5.50    (#   1247:25  Preassigned    2.75, 4.19 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 593, 594,
 igr2= 625, 626, 627,
 &end
#
#   13 LYS  HE+          13 LYS  HD+         5.50    (#   1249:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1249, 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    (#   1250:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1250, 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  HG+         5.50    (#   1251:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 1251, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   26 GLN  HG-          26 GLN  HA          3.50    (#   1253:25  Preassigned    2.47, 2.83 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   26 GLN  HG-          26 GLN  HB3         2.80    (#   1255:25  Preassigned    2.39, 2.82 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 381, 382,
 &end
#
#   27 GLU  HG-          27 GLU  HA          4.50    (#   1256:25  Preassigned    2.44, 2.83 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HG-          27 GLU  HB+         2.80    (#   1257:25  Preassigned    2.40, 2.76 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 398, 399,
 igr2= 395, 396,
 &end
#
#   27 GLU  HG-          39 PRO  HG+         5.50    (#   1258:25  Preassigned    4.52, 6.18 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 590, 591,
 &end
#
#   27 GLU  HG-          27 GLU  HB-         2.80    (#   1259:25  Preassigned    2.40, 2.76 A)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 398, 399,
 igr2= 395, 396,
 &end
#
#   27 GLU  HG-          41 VAL  QG1         5.50    (#   1262:25  Preassigned    3.03, 4.89 A)
 &rst
  ixpk= 1262, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 398, 399,
 igr2= 625, 626, 627,
 &end
#
#    7 MET  QG            7 MET  HA          4.50    (#   1263:25  Preassigned    2.54, 3.80 A)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#   48 VAL  HB           48 VAL  HA          5.50    (#   1264:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 722, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG            7 MET  HB3         4.50    (#   1265:25  Preassigned    2.26, 2.72 A)
 &rst
  ixpk= 1265, nxpk= 25, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    7 MET  QG            7 MET  HB2         4.50    (#   1266:25  Preassigned    2.30, 2.56 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    7 MET  QG            5 ILE  QG2         5.50    (#   1267:25  Preassigned    2.98, 4.87 A)
 &rst
  ixpk= 1267, 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
#
#    7 MET  QG           38 ILE  QG2         5.50    (#   1268:25  Preassigned    4.04, 6.11 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 573, 574, 575,
 &end
#
#    7 MET  QG           38 ILE  QD1         5.50    (#   1269:25  Preassigned    3.71, 5.70 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 580, 581, 582,
 &end
#
#    7 MET  QG           31 LEU  HG          4.50    (#   1270:25  Preassigned    2.33, 3.38 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    7 MET  QG            0 AMB  25-1:1271   5.50    (#   1271:25  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  88,  89,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   48 VAL  HB           18 ALA  HA          3.50    (#   1272:25  Preassigned    2.87, 3.09 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 722, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           18 ALA  QB          5.50    (#   1273:25  Preassigned    5.19, 5.64 A)
 &rst
  ixpk= 1273, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   48 VAL  HB           48 VAL  QG2         2.80    (#   1274:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1274, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 728, 729, 730,
 &end
#
#   48 VAL  HB           47 ILE  QG2         4.50    (#   1275:25  Preassigned    4.27, 5.03 A)
 &rst
  ixpk= 1275, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 705, 706, 707,
 &end
#
#   48 VAL  HB           48 VAL  QG1         2.80    (#   1276:25  Preassigned    2.45, 2.68 A)
 &rst
  ixpk= 1276, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 724, 725, 726,
 &end
#
#   48 VAL  HB           68 LEU  QD2         5.50    (#   1277:25  Preassigned    4.72, 5.33 A)
 &rst
  ixpk= 1277, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:1278    19 ASP  HA          5.50    (#   1278:25  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 722, 231, 301, 302,
 &end
#
#    0 AMB  25-3:1279    19 ASP  HB2         4.50    (#   1279:25  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 231,
 &end
#
#   16 VAL  HB           20 ASP  HB2         4.50    (#   1280:25  Preassigned    3.89, 4.24 A)
 &rst
  ixpk= 1280, nxpk= 25, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HB           29 ALA  QB          5.50    (#   1282:25  Preassigned    4.28, 5.08 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   73 GLN  QG           72 THR  QG2         5.50    (#   1283:25  Preassigned    3.19, 6.74 A)
 &rst
  ixpk= 1283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1116,1117,
 igr2=1101,1102,1103,
 &end
#
#    0 AMB  25-3:1284    15 VAL  QG1         2.80    (#   1284:25  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 410, 231,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1285     0 AMB  25-1:1285   2.80    (#   1285:25  Double Ambig)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 231, 410, 722,
 igr2= 728, 729, 730, 416, 417, 418,
 &end
#
#    0 AMB  25-3:1286     0 AMB  25-1:1286   5.50    (#   1286:25  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 410, 231,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    0 AMB  25-3:1287    65 LEU  QD-         5.50    (#   1287:25  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 410, 231,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  25-3:1288    15 VAL  QG2         2.80    (#   1288:25  Single Ambig)
 &rst
  ixpk= 1288, 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
#
#    0 AMB  25-3:1289    21 ILE  QG2         3.50    (#   1289:25  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 410, 231, 301, 302,
 igr2= 317, 318, 319,
 &end
#
#   28 VAL  HB           65 LEU  QD-         5.50    (#   1290:25  Preassigned    2.85, 5.10 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   28 VAL  HB           28 VAL  QG1         2.80    (#   1291:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 1291, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:1292    21 ILE  QD1         4.50    (#   1292:25  Single Ambig)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 410, 231,
 igr2= 324, 325, 326,
 &end
#
#   55 GLU  HG+          13 LYS  HA          4.50    (#   1293:25  Preassigned    2.08, 2.78 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#    0 AMB  25-3:1294     5 GLN  HA          2.80    (#   1294:25  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  68,  69,  71,  72,
 &end
#
#   26 GLN  HB2          26 GLN  HA          3.50    (#   1295:25  Preassigned    2.52, 2.57 A)
 &rst
  ixpk= 1295, nxpk= 25, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1296     4 ILE  HA          5.50    (#   1296:25  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,  68,  69,
 &end
#
#   55 GLU  HG+          55 GLU  HA          4.50    (#   1297:25  Preassigned    2.48, 2.99 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#   73 GLN  QG           73 GLN  HB-         2.80    (#   1299:25  Preassigned    2.22, 2.76 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1116,1117,
 igr2=1113,1114,
 &end
#
#   55 GLU  HG+          55 GLU  QB          2.80    (#   1300:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 1300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 860, 861,
 igr2= 857, 858,
 &end
#
#    0 AMB  25-3:1301    21 ILE  HB          5.50    (#   1301:25  Single Ambig)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 378, 410, 301, 302,
 &end
#
#    0 AMB  25-3:1302    41 ALA  QB          5.50    (#   1302:25  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 378, 410,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:1303     0 AMB  25-1:1303   4.50    (#   1303:25  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 185, 186, 860, 861,
 igr2= 182, 183, 182, 183,
 &end
#
#    0 AMB  25-3:1304    12 LYS  HD-         5.50    (#   1304:25  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 185, 186, 860, 861,
 igr2= 182, 183,
 &end
#
#   16 VAL  HB           51 VAL  QG1         4.50    (#   1305:25  Unique         4.59, 5.34 A)
 &rst
  ixpk= 1305, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 777, 778, 779,
 &end
#
#   21 GLN  HG-          47 ILE  HG1-        5.50    (#   1306:25  Preassigned    3.74, 5.40 A)
 &rst
  ixpk= 1306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 301, 302,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:1307     0 AMB  25-1:1307   5.50    (#   1307:25  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 185, 186, 860, 861,
 igr2= 179, 180, 179, 180,
 &end
#
#    0 AMB  25-3:1308     0 AMB  25-1:1308   5.50    (#   1308:25  Double Ambig)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 185, 186, 860, 861,
 igr2= 179, 180, 179, 180,
 &end
#
#   55 GLU  HG+          14 VAL  QG2         4.50    (#   1309:25  Preassigned    2.53, 4.72 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 860, 861,
 igr2= 204, 205, 206,
 &end
#
#    0 AMB  25-3:1310    12 LYS  HG-         5.50    (#   1310:25  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 185, 186, 860, 861,
 igr2= 179, 180,
 &end
#
#   63 ASP  HB2          63 ASP  HA          3.50    (#   1311:25  Preassigned    2.55, 2.56 A)
 &rst
  ixpk= 1311, nxpk= 25, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HB2          53 LYS  QE          4.50    (#   1312:25  Preassigned    4.39, 4.94 A)
 &rst
  ixpk= 1312, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:1313     0 AMB  25-1:1313   3.50    (#   1313:25  Double Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  68,  69,  68,  69,  71,  72,
 igr2= 944, 945, 944, 945,
 &end
#
#   67 GLU  HG+          67 GLU  HB2         2.80    (#   1314:25  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1032,1033,
 &end
#
#    0 AMB  25-3:1315     0 AMB  25-1:1315   2.80    (#   1315:25  Double Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 337, 338, 337, 338, 378,1032,1033,
 igr2= 335,1030,
 &end
#
#   55 GLU  HG+          54 LYS  QB          5.50    (#   1316:25  Preassigned    3.99, 5.88 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 860, 861,
 igr2= 835, 836,
 &end
#
#   67 GLU  HG+          52 LYS  QD          5.50    (#   1317:25  Preassigned    2.48, 6.34 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1032,1033,
 igr2= 797, 798,
 &end
#
#   16 VAL  HB           17 LYS  HG+         5.50    (#   1318:25  Preassigned    4.95, 5.36 A)
 &rst
  ixpk= 1318, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#    0 AMB  25-3:1319     4 ILE  QG2         5.50    (#   1319:25  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  72,  68,  69,
 igr2=  51,  52,  53,
 &end
#
#   63 ASP  HB2          59 VAL  QG1         4.50    (#   1320:25  Preassigned    4.78, 5.74 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  25-3:1321    39 ILE  QD1         5.50    (#   1321:25  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  72,  68,  69,
 igr2= 613, 614, 615,
 &end
#
#    0 AMB  25-3:1322    22 GLU  HB2         2.80    (#   1322:25  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 337, 338, 378,
 &end
#
#   21 GLN  HG+          21 GLN  QB          2.80    (#   1323:25  Preassigned    2.23, 2.69 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 301, 302,
 igr2= 298, 299,
 &end
#
#   27 GLU  HB+          27 GLU  HA          4.50    (#   1324:25  Preassigned    2.33, 2.76 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 395, 396,
 &end
#
#   27 GLU  HB+          27 GLU  HG-         2.80    (#   1325:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 395, 396,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB+          27 GLU  HG+         2.80    (#   1326:25  Preassigned    2.40, 2.76 A)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 395, 396,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB+          41 VAL  QG1         4.50    (#   1329:25  Preassigned    2.73, 4.66 A)
 &rst
  ixpk= 1329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 395, 396,
 igr2= 625, 626, 627,
 &end
#
#   50 GLU  HG+          50 GLU  HA          4.50    (#   1330:25  Preassigned    2.32, 2.98 A)
 &rst
  ixpk= 1330, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 763, 764,
 &end
#
#   34 MET  QB           34 MET  HA          2.80    (#   1331:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 500, 501,
 &end
#
#   35 LYS  HB2          35 LYS  HA          4.50    (#   1332:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1333     0 AMB  25-1:1333   2.80    (#   1333:25  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 500, 501, 539,
 igr2= 503, 504, 503, 504,
 &end
#
#    0 AMB  25-3:1334     0 AMB  25-1:1334   3.50    (#   1334:25  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 539, 517,
 igr2= 542, 543, 542, 543,
 &end
#
#   34 MET  QB           34 MET  HG-         2.80    (#   1335:25  Preassigned    2.28, 2.73 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 500, 501,
 igr2= 503, 504,
 &end
#
#   36 MET  HB2          36 MET  HG-         2.80    (#   1336:25  Preassigned    2.39, 2.65 A)
 &rst
  ixpk= 1336, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 542, 543,
 &end
#
#   50 GLU  HG+          50 GLU  HB2         2.80    (#   1338:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 763, 764,
 &end
#
#   50 GLU  HG+          50 GLU  HB3         3.50    (#   1341:25  Preassigned    2.41, 2.65 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 763, 764,
 &end
#
#   35 LYS  HB2          35 LYS  HD+         4.50    (#   1342:25  Preassigned    2.49, 3.18 A)
 &rst
  ixpk= 1342, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 LYS  HB2          35 LYS  HD-         5.50    (#   1343:25  Preassigned    2.49, 3.18 A)
 &rst
  ixpk= 1343, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 LYS  HB2          35 LYS  HG+         4.50    (#   1344:25  Unique         2.41, 2.69 A)
 &rst
  ixpk= 1344, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 LYS  HB2          35 LYS  HG-         4.50    (#   1345:25  Preassigned    2.41, 2.69 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#    0 AMB  25-3:1346    37 ILE  HA          5.50    (#   1346:25  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 590, 591, 539,
 &end
#
#   36 MET  HB2          36 MET  HA          4.50    (#   1347:25  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 1347, nxpk= 25, iat= 539, 537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HG+          39 PRO  HD+         4.50    (#   1348:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 590, 591,
 igr2= 587, 588,
 &end
#
#   39 PRO  HG+          39 PRO  HD-         3.50    (#   1349:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 590, 591,
 igr2= 587, 588,
 &end
#
#   39 PRO  HG+          39 PRO  HB+         2.80    (#   1350:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 590, 591,
 igr2= 593, 594,
 &end
#
#    0 AMB  25-3:1352    37 ILE  QD1         4.50    (#   1352:25  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 539, 500, 501,
 igr2= 580, 581, 582,
 &end
#
#   61 GLU  HG+           6 GLN  HA          4.50    (#   1353:25  Preassigned    2.52, 3.43 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 944, 945,
 &end
#
#   39 PRO  HG+          39 PRO  HB-         2.80    (#   1354:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 590, 591,
 igr2= 593, 594,
 &end
#
#   39 PRO  HG+          38 ILE  QG2         5.50    (#   1355:25  Preassigned    3.55, 5.02 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 590, 591,
 igr2= 573, 574, 575,
 &end
#
#   39 PRO  HG+          41 VAL  QG2         5.50    (#   1356:25  Preassigned    5.20, 6.88 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 590, 591,
 igr2= 629, 630, 631,
 &end
#
#   61 GLU  HG+           7 MET  HA          4.50    (#   1357:25  Preassigned    3.80, 4.50 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 944, 945,
 &end
#
#   51 VAL  HB           51 VAL  HA          4.50    (#   1358:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 775, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HB-          73 GLN  HA          5.50    (#   1359:25  Preassigned    2.39, 2.70 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1113,1114,
 &end
#
#   14 VAL  HB           14 VAL  HA          4.50    (#   1360:25  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 1360, nxpk= 25, iat= 198, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HG+          61 GLU  HA          4.50    (#   1361:25  Preassigned    2.52, 2.89 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 944, 945,
 &end
#
#   32 GLU  HB3          12 TRP  HB2         5.50    (#   1362:25  Preassigned    3.04, 3.43 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 475, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HB2         3.50    (#   1363:25  Preassigned    2.84, 3.06 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 475, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HB3           10 ASN  HB3         5.50    (#   1364:25  Preassigned    3.75, 3.92 A)
 &rst
  ixpk= 1364, nxpk= 25, iat= 475, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           55 GLU  HG+         4.50    (#   1366:25  Preassigned    2.56, 3.72 A)
 &rst
  ixpk= 1366, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 860, 861,
 &end
#
#   34 MET  QE            7 MET  HB2         4.50    (#   1367:25  Unique         3.89, 5.01 A)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 507, 508, 509,
 &end
#
#   32 GLU  HB3          32 GLU  HG+         3.50    (#   1368:25  Preassigned    2.52, 2.80 A)
 &rst
  ixpk= 1368, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   14 VAL  HB           29 ALA  QB          5.50    (#   1369:25  Preassigned    4.73, 5.53 A)
 &rst
  ixpk= 1369, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   51 VAL  HB           51 VAL  QG1         2.80    (#   1370:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1370, nxpk= 25, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 777, 778, 779,
 &end
#
#   14 VAL  HB           65 LEU  QD+         5.50    (#   1371:25  Preassigned    4.72, 6.68 A)
 &rst
  ixpk= 1371, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   51 VAL  HB           51 VAL  QG2         2.80    (#   1372:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1372, nxpk= 25, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:1373    15 VAL  QG2         5.50    (#   1373:25  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 775, 198,
 igr2= 237, 238, 239,
 &end
#
#   14 VAL  HB           11 LEU  QD-         5.50    (#   1374:25  Preassigned    4.57, 6.21 A)
 &rst
  ixpk= 1374, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1375    26 GLU  HA          3.50    (#   1375:25  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 395, 396, 398, 399,
 &end
#
#   59 VAL  HB           59 VAL  HA          3.50    (#   1376:25  Preassigned    2.53, 2.55 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 911, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  HB           63 ASP  HB2         5.50    (#   1377:25  Preassigned    4.35, 4.49 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 911, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HB           63 ASP  HB2         5.50    (#   1379:25  Preassigned    4.35, 4.49 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 911, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HB           48 VAL  QG1         5.50    (#   1381:25  Preassigned    5.01, 5.37 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   59 VAL  HB            5 ILE  HB          5.50    (#   1382:25  Preassigned    2.66, 2.87 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 911,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HG-          61 GLU  HB3         2.80    (#   1383:25  Preassigned    2.52, 2.80 A)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 944, 945,
 &end
#
#   61 GLU  HG-          61 GLU  HB2         2.80    (#   1384:25  Preassigned    2.30, 2.72 A)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 944, 945,
 &end
#
#   59 VAL  HB            5 ILE  HG1+        5.50    (#   1385:25  Preassigned    2.19, 2.96 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#   27 GLU  HG+          30 ILE  QD1         5.50    (#   1386:25  Preassigned    4.36, 5.55 A)
 &rst
  ixpk= 1386, 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
#
#   59 VAL  HB           59 VAL  QG1         2.80    (#   1388:25  Preassigned    2.41, 2.64 A)
 &rst
  ixpk= 1388, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 913, 914, 915,
 &end
#
#   59 VAL  HB            5 ILE  QD1         4.50    (#   1389:25  Preassigned    2.59, 4.52 A)
 &rst
  ixpk= 1389, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   27 GLU  HG+          28 VAL  QG1         5.50    (#   1390:25  Preassigned    5.51, 6.83 A)
 &rst
  ixpk= 1390, 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
#
#   59 VAL  HB           59 VAL  QG2         3.50    (#   1391:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 1391, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  25-3:1392     0 AMB  25-1:1392   5.50    (#   1392:25  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 507, 508, 509, 911,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   26 GLN  HB3          26 GLN  HA          3.50    (#   1393:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 1393, nxpk= 25, iat= 379, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HB3          26 GLN  HG-         3.50    (#   1394:25  Preassigned    2.39, 2.82 A)
 &rst
  ixpk= 1394, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 381, 382,
 &end
#
#   26 GLN  HB3          26 GLN  HG+         2.80    (#   1395:25  Preassigned    2.39, 2.82 A)
 &rst
  ixpk= 1395, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 381, 382,
 &end
#
#   67 GLU  HB2          49 LYS  HB3         5.50    (#   1396:25  Preassigned    2.81, 4.54 A)
 &rst
  ixpk= 1396, nxpk= 25, iat=1029, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          28 VAL  QG2         4.50    (#   1397:25  Preassigned    3.24, 5.04 A)
 &rst
  ixpk= 1397, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   26 GLN  HB3          41 VAL  QG2         7.00    (#   1398:25  Preassigned    6.69, 7.48 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 629, 630, 631,
 &end
#
#   52 LYS  HB3          52 LYS  HA          3.50    (#   1400:25  Preassigned    2.41, 2.46 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 792, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 PRO  HG-          39 PRO  HD+         3.50    (#   1401:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 590, 591,
 igr2= 587, 588,
 &end
#
#   39 PRO  HG-          39 PRO  HD-         4.50    (#   1402:25  Preassigned    2.33, 2.61 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 590, 591,
 igr2= 587, 588,
 &end
#
#   39 PRO  HG-          39 PRO  HB+         2.80    (#   1403:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 590, 591,
 igr2= 593, 594,
 &end
#
#   21 GLN  QB           21 GLN  HG-         2.80    (#   1404:25  Preassigned    2.23, 2.69 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   21 GLN  QB           21 GLN  HG+         2.80    (#   1405:25  Preassigned    2.23, 2.69 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   26 GLN  HB3          22 ILE  HB          5.50    (#   1406:25  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 1406, nxpk= 25, iat= 379, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          42 ALA  QB          4.50    (#   1407:25  Preassigned    3.05, 3.71 A)
 &rst
  ixpk= 1407, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:1408    51 LYS  QD          3.50    (#   1408:25  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1029, 792,
 igr2= 797, 798,
 &end
#
#    0 AMB  25-3:1409    51 LYS  HG-         4.50    (#   1409:25  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 792,1029,
 igr2= 794, 795,
 &end
#
#    0 AMB  25-3:1410     0 AMB  25-1:1410   4.50    (#   1410:25  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 792,1029,
 igr2= 794, 795, 794, 795,
 &end
#
#   21 GLN  QB           47 ILE  HG1-        5.50    (#   1411:25  Preassigned    4.34, 5.77 A)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 298, 299,
 igr2= 709, 710,
 &end
#
#    7 MET  QE           38 ILE  QG2         4.50    (#   1412:25  Preassigned    2.25, 3.69 A)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  92,  93,  94,
 igr2= 573, 574, 575,
 &end
#
#   36 MET  HB3          38 ILE  QD1         4.50    (#   1413:25  Preassigned    2.96, 4.06 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 580, 581, 582,
 &end
#
#   26 GLN  HB3          22 ILE  QG2         4.50    (#   1414:25  Preassigned    4.17, 5.11 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HB3          22 ILE  QD1         5.50    (#   1415:25  Preassigned    4.51, 5.85 A)
 &rst
  ixpk= 1415, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1416    37 ILE  HA          5.50    (#   1416:25  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 590, 591,  92,  93,  94, 540,
 &end
#
#   36 MET  HB3          36 MET  HA          3.50    (#   1417:25  Preassigned    2.53, 2.56 A)
 &rst
  ixpk= 1417, nxpk= 25, iat= 540, 537, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HD-          53 LYS  QE          3.50    (#   1418:25  Preassigned    2.38, 2.72 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 819, 820,
 igr2= 822, 823,
 &end
#
#   36 MET  HB3          36 MET  HG+         4.50    (#   1419:25  Preassigned    2.45, 2.75 A)
 &rst
  ixpk= 1419, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   36 MET  HB3          36 MET  HG-         4.50    (#   1420:25  Preassigned    2.45, 2.75 A)
 &rst
  ixpk= 1420, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &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= 3.96, r4= 4.46,
 igr1=1029, 334,
 igr2=1032,1033, 337, 338,
 &end
#
#    0 AMB  25-3:1422     0 AMB  25-1:1422   4.50    (#   1422:25  Double Ambig)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 819, 820, 792,
 igr2= 816, 817, 816, 817,
 &end
#
#    0 AMB  25-3:1423    52 LYS  HG-         4.50    (#   1423:25  Single Ambig)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 819, 820, 792,
 igr2= 816, 817,
 &end
#
#    0 AMB  25-3:1424     0 AMB  25-1:1424   5.50    (#   1424:25  Double Ambig)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 860, 861, 819, 820,
 igr2= 177, 813,
 &end
#
#   53 LYS  HD-          53 LYS  HB2         5.50    (#   1425:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 819, 820,
 &end
#
#   21 GLN  QB           47 ILE  QG2         5.50    (#   1427:25  Preassigned    4.24, 6.24 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298, 299,
 igr2= 705, 706, 707,
 &end
#
#    6 GLN  HB-           6 GLN  HA          3.50    (#   1428:25  Preassigned    2.29, 2.58 A)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  68,  69,
 &end
#
#    6 GLN  HB-           5 ILE  HA          5.50    (#   1429:25  Preassigned    4.07, 4.95 A)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  68,  69,
 &end
#
#   55 GLU  HG-          55 GLU  HA          4.50    (#   1430:25  Preassigned    2.48, 2.99 A)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#    0 AMB  25-3:1431     0 AMB  25-1:1431   2.80    (#   1431:25  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  68,  69,  86,
 igr2=  71,  72,  71,  72,
 &end
#
#    7 MET  HB3           7 MET  QG          3.50    (#   1432:25  Preassigned    2.26, 2.72 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  88,  89,
 &end
#
#   37 GLU  HG+          37 GLU  HB2         2.80    (#   1433:25  Preassigned    2.58, 2.82 A)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   55 GLU  HG-          55 GLU  QB          2.80    (#   1434:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 860, 861,
 igr2= 857, 858,
 &end
#
#   37 GLU  HG+          37 GLU  HB3         2.80    (#   1435:25  Preassigned    2.30, 2.45 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   37 GLU  HG+          30 ILE  QG2         4.50    (#   1436:25  Preassigned    3.49, 4.34 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 559, 560,
 igr2= 438, 439, 440,
 &end
#
#   55 GLU  HG-          14 VAL  QG2         3.50    (#   1437:25  Preassigned    2.53, 4.72 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 860, 861,
 igr2= 204, 205, 206,
 &end
#
#    7 MET  HB3          31 LEU  HG          5.50    (#   1438:25  Unique         3.80, 5.08 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  86, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HB3           0 AMB  25-1:1439   5.50    (#   1439:25  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 25, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    7 MET  HB3           7 MET  HA          3.50    (#   1440:25  Preassigned    2.38, 2.43 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  86,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HB3          35 LYS  HA          2.80    (#   1441:25  Preassigned    2.44, 2.45 A)
 &rst
  ixpk= 1441, nxpk= 25, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 LYS  HB3          35 LYS  HG-         4.50    (#   1444:25  Unique         2.29, 2.74 A)
 &rst
  ixpk= 1444, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#    0 AMB  25-3:1445    49 GLU  HA          3.50    (#   1445:25  Single Ambig)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 763, 764, 760,
 &end
#
#   50 GLU  HG-          52 LYS  QD          4.50    (#   1446:25  Preassigned    2.29, 4.04 A)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 763, 764,
 igr2= 797, 798,
 &end
#
#   50 GLU  HB2          49 LYS  HB3         5.50    (#   1447:25  Preassigned    3.73, 4.01 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 760, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HG-          32 GLU  HB2         3.50    (#   1448:25  Preassigned    2.30, 2.68 A)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   35 LYS  HB3          35 LYS  HG+         3.50    (#   1449:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 1449, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 520, 521,
 &end
#
#   50 GLU  HG-          52 LYS  HG+         5.50    (#   1450:25  Preassigned    3.61, 5.60 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 763, 764,
 igr2= 794, 795,
 &end
#
#   44 ARG  HB2          44 ARG  HA          3.50    (#   1451:25  Preassigned    2.37, 2.46 A)
 &rst
  ixpk= 1451, nxpk= 25, iat= 661, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HB2          44 ARG  QD          4.50    (#   1452:25  Preassigned    2.65, 3.39 A)
 &rst
  ixpk= 1452, nxpk= 25, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 667, 668,
 &end
#
#   44 ARG  HB2          44 ARG  HG+         4.50    (#   1453:25  Preassigned    2.31, 2.73 A)
 &rst
  ixpk= 1453, nxpk= 25, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 664, 665,
 &end
#
#   44 ARG  HB2          68 LEU  QD1         5.50    (#   1454:25  Preassigned    4.56, 4.99 A)
 &rst
  ixpk= 1454, nxpk= 25, iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
#   64 VAL  HB           64 VAL  HA          4.50    (#   1455:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1455, nxpk= 25, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1456     3 SER  HB2         5.50    (#   1456:25  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49, 975,
 &end
#
#    0 AMB  25-3:1457     0 AMB  25-1:1457   4.50    (#   1457:25  Double Ambig)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  49, 975,
 igr2= 964, 800, 801,
 &end
#
#    5 ILE  HB           63 ASP  HB2         5.50    (#   1458:25  Preassigned    4.21, 4.35 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  49, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HB           63 ASP  HB2         5.50    (#   1459:25  Preassigned    4.21, 4.35 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  49, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HB           64 VAL  QG2         2.80    (#   1460:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1460, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 981, 982, 983,
 &end
#
#   64 VAL  HB           64 VAL  QG1         2.80    (#   1461:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 1461, nxpk= 25, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 977, 978, 979,
 &end
#
#   38 ILE  HB           38 ILE  HA          4.50    (#   1462:25  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 571, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HB            5 ILE  HA          4.50    (#   1463:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HB           31 LEU  HB3         3.50    (#   1464:25  Preassigned    2.75, 2.85 A)
 &rst
  ixpk= 1464, nxpk= 25, iat= 571, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1465     0 AMB  25-1:1465   3.50    (#   1465:25  Double Ambig)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  49, 571,
 igr2=  55,  56, 577, 578,
 &end
#
#    0 AMB  25-3:1466    30 LEU  HB2         4.50    (#   1466:25  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 571,  49,
 &end
#
#   38 ILE  HB           38 ILE  HG1-        4.50    (#   1467:25  Preassigned    2.69, 2.86 A)
 &rst
  ixpk= 1467, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 577, 578,
 &end
#
#   38 ILE  HB           30 ILE  HG1-        7.00    (#   1468:25  Preassigned    6.52, 7.30 A)
 &rst
  ixpk= 1468, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 442, 443,
 &end
#
#    5 ILE  HB            5 ILE  QG2         2.80    (#   1469:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  51,  52,  53,
 &end
#
#   38 ILE  HB           38 ILE  QG2         2.80    (#   1470:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1470, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 573, 574, 575,
 &end
#
#   38 ILE  HB           38 ILE  QD1         3.50    (#   1471:25  Preassigned    2.51, 3.01 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 580, 581, 582,
 &end
#
#    5 ILE  HB            5 ILE  QD1         3.50    (#   1472:25  Preassigned    2.43, 3.78 A)
 &rst
  ixpk= 1472, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  58,  59,  60,
 &end
#
#    5 ILE  HB           59 VAL  QG2         5.50    (#   1473:25  Preassigned    4.13, 4.95 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   55 GLU  QB           55 GLU  HA          2.80    (#   1474:25  Preassigned    2.40, 2.75 A)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 857, 858,
 &end
#
#    7 MET  HB2           7 MET  QG          4.50    (#   1475:25  Preassigned    2.30, 2.56 A)
 &rst
  ixpk= 1475, nxpk= 25, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#   55 GLU  QB           55 GLU  HG+         3.50    (#   1476:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 857, 858,
 igr2= 860, 861,
 &end
#
#   61 GLU  HB3          61 GLU  HG+         2.80    (#   1477:25  Preassigned    2.52, 2.80 A)
 &rst
  ixpk= 1477, nxpk= 25, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 944, 945,
 &end
#
#   41 VAL  HB           27 GLU  HB-         5.50    (#   1478:25  Preassigned    4.91, 5.66 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 395, 396,
 &end
#
#   61 GLU  HB3          61 GLU  HG-         2.80    (#   1479:25  Preassigned    2.52, 2.80 A)
 &rst
  ixpk= 1479, nxpk= 25, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 944, 945,
 &end
#
#   55 GLU  QB           55 GLU  HG-         2.80    (#   1480:25  Preassigned    2.26, 2.71 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 857, 858,
 igr2= 860, 861,
 &end
#
#   53 LYS  HB3          59 VAL  QG1         3.50    (#   1481:25  Preassigned    3.74, 4.05 A)
 &rst
  ixpk= 1481, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 913, 914, 915,
 &end
#
#   38 ILE  HB            0 AMB  25-1:1482   4.50    (#   1482:25  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:1483    26 GLU  HA          5.50    (#   1483:25  Single Ambig)
 &rst
  ixpk= 1483, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 623, 593, 594,
 &end
#
#    3 VAL  HB            3 VAL  HA          5.50    (#   1484:25  Preassigned    3.01, 3.04 A)
 &rst
  ixpk= 1484, nxpk= 25, iat=  22,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HB2           7 MET  HA          3.50    (#   1485:25  Preassigned    2.43, 2.60 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=  85,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 VAL  HB           40 ILE  HA          7.00    (#   1486:25  Preassigned    5.57, 5.61 A)
 &rst
  ixpk= 1486, nxpk= 25, iat= 623, 602, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HB           25 GLY  HA-         5.50    (#   1487:25  Preassigned    2.41, 3.33 A)
 &rst
  ixpk= 1487, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   53 LYS  HB3          57 ASP  HB3         5.50    (#   1488:25  Preassigned    2.82, 3.18 A)
 &rst
  ixpk= 1488, nxpk= 25, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HB3          57 ASP  HB3         5.50    (#   1489:25  Preassigned    2.82, 3.18 A)
 &rst
  ixpk= 1489, nxpk= 25, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HB3          57 ASP  HB2         5.50    (#   1490:25  Preassigned    3.73, 4.26 A)
 &rst
  ixpk= 1490, nxpk= 25, iat= 814, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB-          39 PRO  HG+         3.50    (#   1491:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 593, 594,
 igr2= 590, 591,
 &end
#
#   39 PRO  HB-          39 PRO  HG-         2.80    (#   1492:25  Preassigned    2.34, 2.63 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 593, 594,
 igr2= 590, 591,
 &end
#
#    3 VAL  HB           65 LEU  HB3         5.50    (#   1493:25  Preassigned    3.11, 3.35 A)
 &rst
  ixpk= 1493, nxpk= 25, iat=  22, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1494    41 ALA  QB          5.50    (#   1494:25  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 623,  22,
 igr2= 639, 640, 641,
 &end
#
#    7 MET  HB2           8 ALA  QB          5.50    (#   1495:25  Preassigned    4.49, 5.41 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 102, 103, 104,
 &end
#
#   53 LYS  HB3          53 LYS  HG+         3.50    (#   1496:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 816, 817,
 &end
#
#   53 LYS  HB3          53 LYS  HG+         4.50    (#   1497:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1497, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 816, 817,
 &end
#
#   53 LYS  HB3          53 LYS  HG-         3.50    (#   1498:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 816, 817,
 &end
#
#    3 VAL  HB            3 VAL  QG1         2.80    (#   1499:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1499, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  24,  25,  26,
 &end
#
#    3 VAL  HB            3 VAL  QG2         2.80    (#   1500:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1500, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:1501     0 AMB  25-1:1501   4.50    (#   1501:25  Double Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  22, 814,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002,
 &end
#
#   41 VAL  HB           41 VAL  QG2         2.80    (#   1502:25  Preassigned    2.40, 2.64 A)
 &rst
  ixpk= 1502, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 629, 630, 631,
 &end
#
#    3 VAL  HB           66 LEU  QD+         5.50    (#   1503:25  Preassigned    2.18, 3.61 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    3 VAL  HB           66 LEU  QD-         4.50    (#   1504:25  Preassigned    2.18, 3.61 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   41 VAL  HB           41 VAL  QG1         2.80    (#   1505:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1505, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 625, 626, 627,
 &end
#
#    0 AMB  25-3:1506    64 LEU  QD-         5.50    (#   1506:25  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  22, 814,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1507    39 ILE  QG2         5.50    (#   1507:25  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  22, 623,
 igr2= 606, 607, 608,
 &end
#
#   53 LYS  HB3          11 LEU  QD+         4.50    (#   1508:25  Preassigned    2.17, 4.09 A)
 &rst
  ixpk= 1508, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1509     0 AMB  25-1:1509   3.50    (#   1509:25  Double Ambig)
 &rst
  ixpk= 1509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 814,  85,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   39 PRO  HB-          39 PRO  HD+         4.50    (#   1510:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 593, 594,
 igr2= 587, 588,
 &end
#
#   39 PRO  HB-          39 PRO  HD-         4.50    (#   1511:25  Preassigned    2.87, 3.70 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 593, 594,
 igr2= 587, 588,
 &end
#
#   61 GLU  HB2          61 GLU  HA          3.50    (#   1512:25  Preassigned    2.41, 2.44 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HB3          53 LYS  QE          5.50    (#   1513:25  Preassigned    4.28, 4.52 A)
 &rst
  ixpk= 1513, nxpk= 25, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   39 PRO  HB-          27 GLU  HG-         5.50    (#   1514:25  Preassigned    2.62, 4.07 A)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 593, 594,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-3:1515    27 VAL  QG1         5.50    (#   1515:25  Single Ambig)
 &rst
  ixpk= 1515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  22, 623,
 igr2= 412, 413, 414,
 &end
#
#   17 LYS  QB           17 LYS  HA          2.80    (#   1516:25  Preassigned    2.42, 2.46 A)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 247, 248,
 &end
#
#    0 AMB  25-3:1517    49 GLU  HA          4.50    (#   1517:25  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 761,1030,
 &end
#
#    0 AMB  25-3:1518     0 AMB  25-1:1518   4.50    (#   1518:25  Double Ambig)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1030, 761,
 igr2= 800, 801, 800, 801,
 &end
#
#   39 PRO  HB-          27 GLU  HB-         5.50    (#   1519:25  Preassigned    3.41, 5.07 A)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 593, 594,
 igr2= 395, 396,
 &end
#
#   50 GLU  HB3          52 LYS  QD          3.50    (#   1520:25  Preassigned    2.57, 3.88 A)
 &rst
  ixpk= 1520, nxpk= 25, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 797, 798,
 &end
#
#   17 LYS  QB           17 LYS  HG-         2.80    (#   1521:25  Preassigned    2.27, 2.76 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#    0 AMB  25-3:1522    17 ALA  QB          4.50    (#   1522:25  Single Ambig)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 247, 248, 761,
 igr2= 269, 270, 271,
 &end
#
#   17 LYS  QB           17 LYS  HG+         2.80    (#   1523:25  Preassigned    2.27, 2.76 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#    0 AMB  25-3:1524    29 ILE  QD1         5.50    (#   1524:25  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 557, 593, 594,
 igr2= 445, 446, 447,
 &end
#
#   37 GLU  HB3          30 ILE  QG2         2.80    (#   1525:25  Preassigned    2.48, 2.71 A)
 &rst
  ixpk= 1525, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 438, 439, 440,
 &end
#
#   17 LYS  QB           16 VAL  QG2         5.50    (#   1526:25  Preassigned    5.41, 6.83 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 247, 248,
 igr2= 237, 238, 239,
 &end
#
#   52 LYS  HB2          52 LYS  HA          4.50    (#   1527:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 791, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB3          38 ILE  HB          3.50    (#   1528:25  Preassigned    2.75, 2.85 A)
 &rst
  ixpk= 1528, nxpk= 25, iat= 456, 571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  HB2          52 LYS  HG-         3.50    (#   1529:25  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 1529, nxpk= 25, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 794, 795,
 &end
#
#    0 AMB  25-3:1530     0 AMB  25-1:1530   2.80    (#   1530:25  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 791,1030,
 igr2= 794, 795, 794, 795,
 &end
#
#    0 AMB  25-3:1531    37 ILE  QD1         4.50    (#   1531:25  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 456, 557,
 igr2= 580, 581, 582,
 &end
#
#    0 AMB  25-3:1532    50 VAL  QG2         4.50    (#   1532:25  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 247, 248, 761,
 igr2= 781, 782, 783,
 &end
#
#   52 LYS  HB2          64 VAL  QG1         3.50    (#   1533:25  Unique         2.42, 3.84 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 977, 978, 979,
 &end
#
#   31 LEU  HB3          40 ILE  QD1         4.50    (#   1534:25  Preassigned    2.47, 3.60 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 613, 614, 615,
 &end
#
#    0 AMB  25-3:1535    58 VAL  QG2         5.50    (#   1535:25  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 134, 456,
 igr2= 917, 918, 919,
 &end
#
#   31 LEU  HB3           0 AMB  25-1:1536   4.50    (#   1536:25  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   54 LYS  QB           54 LYS  HA          2.80    (#   1537:25  Preassigned    2.40, 2.46 A)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 835, 836,
 &end
#
#   11 LEU  HB3          11 LEU  HA          4.50    (#   1538:25  Preassigned    2.68, 2.98 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 134, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB2          51 VAL  HA          4.50    (#   1539:25  Unique         2.42, 2.78 A)
 &rst
  ixpk= 1539, nxpk= 25, iat=1010, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB3          55 GLU  HA          4.50    (#   1540:25  Preassigned    2.64, 3.60 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 134, 855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1542     0 AMB  25-1:1542   2.80    (#   1542:25  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 761, 335,1030,
 igr2=1032,1033, 337, 338,1032,1033,
 &end
#
#   23 GLU  HB3          26 GLN  HB2         5.50    (#   1543:25  Preassigned    2.38, 2.70 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 335, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1544     0 AMB  25-1:1544   2.80    (#   1544:25  Double Ambig)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 761, 335,1030,
 igr2=1032,1033, 337, 338,1032,1033,
 &end
#
#   23 GLU  HB3          26 GLN  HB3         5.50    (#   1545:25  Preassigned    3.53, 3.98 A)
 &rst
  ixpk= 1545, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HB3          26 GLN  HB3         5.50    (#   1546:25  Preassigned    3.53, 3.98 A)
 &rst
  ixpk= 1546, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1548    13 VAL  QG1         5.50    (#   1548:25  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 835, 836, 134,1010,
 igr2= 200, 201, 202,
 &end
#
#   11 LEU  HB3          11 LEU  QD+         4.50    (#   1549:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 1549, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1550     0 AMB  25-1:1550   2.80    (#   1550:25  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 134, 456,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   66 LEU  HB2          66 LEU  QD+         4.50    (#   1551:25  Preassigned    2.34, 3.25 A)
 &rst
  ixpk= 1551, nxpk= 25, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HB2          66 LEU  QD-         4.50    (#   1552:25  Preassigned    2.34, 3.25 A)
 &rst
  ixpk= 1552, nxpk= 25, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HB2          48 VAL  QG1         4.50    (#   1553:25  Preassigned    2.37, 3.35 A)
 &rst
  ixpk= 1553, nxpk= 25, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   44 ARG  HB3          44 ARG  HA          2.80    (#   1554:25  Preassigned    2.40, 2.45 A)
 &rst
  ixpk= 1554, nxpk= 25, iat= 662, 659, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HB3          44 ARG  QD          4.50    (#   1555:25  Preassigned    2.32, 3.28 A)
 &rst
  ixpk= 1555, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 667, 668,
 &end
#
#   44 ARG  HB3          44 ARG  HG+         2.80    (#   1556:25  Preassigned    2.34, 2.79 A)
 &rst
  ixpk= 1556, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 664, 665,
 &end
#
#   54 LYS  QD           54 LYS  HG-         2.80    (#   1557:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 841, 842,
 igr2= 838, 839,
 &end
#
#   68 LEU  HB3          68 LEU  QD1         3.50    (#   1558:25  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 1558, nxpk= 25, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1049,1050,1051,
 &end
#
#   30 ILE  HB           30 ILE  HA          4.50    (#   1559:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1559, nxpk= 25, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HB3          46 GLY  HA-         5.50    (#   1560:25  Preassigned    2.68, 3.73 A)
 &rst
  ixpk= 1560, nxpk= 25, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#   30 ILE  HB           29 ALA  HA          5.50    (#   1561:25  Preassigned    4.44, 4.48 A)
 &rst
  ixpk= 1561, nxpk= 25, iat= 436, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1562    23 LYS  HA          4.50    (#   1562:25  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 350, 355, 356,
 &end
#
#    0 AMB  25-3:1563    11 TRP  HB2         5.50    (#   1563:25  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 559, 560, 436,
 &end
#
#    0 AMB  25-3:1564     0 AMB  25-1:1564   2.80    (#   1564:25  Double Ambig)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 253, 254, 841, 842,
 igr2= 256, 257, 844, 845,
 &end
#
#   30 ILE  HB           12 TRP  HB3         5.50    (#   1565:25  Preassigned    2.35, 2.47 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HG-          37 GLU  HB2         2.80    (#   1566:25  Preassigned    2.58, 2.82 A)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   37 GLU  HG-          37 GLU  HB3         2.80    (#   1567:25  Preassigned    2.30, 2.45 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 559, 560,
 &end
#
#   17 LYS  QD           17 LYS  HG-         2.80    (#   1568:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   54 LYS  QD           54 LYS  HG+         2.80    (#   1569:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 841, 842,
 igr2= 838, 839,
 &end
#
#   30 ILE  HB           30 ILE  HG1+        2.80    (#   1570:25  Preassigned    2.49, 2.78 A)
 &rst
  ixpk= 1570, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 442, 443,
 &end
#
#   30 ILE  HB           13 LYS  HB3         4.50    (#   1571:25  Preassigned    4.42, 4.51 A)
 &rst
  ixpk= 1571, nxpk= 25, iat= 436, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  QD           17 LYS  HG+         2.80    (#   1572:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   30 ILE  HB           13 LYS  HB2         4.50    (#   1573:25  Preassigned    2.73, 2.85 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 436, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HB           30 ILE  QD1         3.50    (#   1574:25  Preassigned    2.53, 3.18 A)
 &rst
  ixpk= 1574, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:1575    29 ILE  QG2         2.80    (#   1575:25  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 436, 559, 560,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:1577    68 SER  HA          4.50    (#   1577:25  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 738, 744, 745,
 &end
#
#    0 AMB  25-3:1578    48 LYS  HA          3.50    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 744, 745, 738,
 &end
#
#   68 LEU  HB3          46 GLY  HA+         5.50    (#   1579:25  Preassigned    2.68, 3.73 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    0 AMB  25-3:1580    68 SER  QB          3.50    (#   1580:25  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 703, 738,
 igr2=1063,1064,
 &end
#
#    0 AMB  25-3:1581    47 VAL  HA          5.50    (#   1581:25  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1045, 738, 703,
 &end
#
#    0 AMB  25-3:1582    23 LYS  QE          2.80    (#   1582:25  Single Ambig)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 350, 355, 356,
 igr2= 358, 359,
 &end
#
#    0 AMB  25-3:1583    48 LYS  HG-         2.80    (#   1583:25  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 738, 744, 745,
 igr2= 741, 742,
 &end
#
#    0 AMB  25-3:1584    23 LYS  QG          2.80    (#   1584:25  Single Ambig)
 &rst
  ixpk= 1584, 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
#
#   47 ILE  HB           47 ILE  HG1-        3.50    (#   1585:25  Preassigned    2.38, 2.44 A)
 &rst
  ixpk= 1585, nxpk= 25, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 709, 710,
 &end
#
#   22 ILE  HB           22 ILE  HG1-        4.50    (#   1586:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1586, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   68 LEU  HB3          68 LEU  QD2         3.50    (#   1587:25  Preassigned    2.46, 3.13 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1053,1054,1055,
 &end
#
#   35 LYS  HD+          35 LYS  HA          4.50    (#   1588:25  Preassigned    2.28, 4.05 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   53 LYS  HD+          57 ASP  HB2         5.50    (#   1589:25  Preassigned    3.83, 4.51 A)
 &rst
  ixpk= 1589, nxpk= 25, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 819, 820,
 &end
#
#    0 AMB  25-3:1590    56 ASP  HB2         5.50    (#   1590:25  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 841, 842, 819, 820,
 &end
#
#   32 GLU  HG+          32 GLU  HB3         4.50    (#   1591:25  Preassigned    2.52, 2.80 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   53 LYS  HD+          53 LYS  HB3         4.50    (#   1592:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 819, 820,
 &end
#
#   32 GLU  HG+          32 GLU  HB2         2.80    (#   1593:25  Preassigned    2.30, 2.68 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 477, 478,
 &end
#
#   53 LYS  HD+          59 VAL  QG1         4.50    (#   1594:25  Preassigned    2.52, 3.74 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 819, 820,
 igr2= 913, 914, 915,
 &end
#
#   22 ILE  HB           22 ILE  QG2         2.80    (#   1595:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 317, 318, 319,
 &end
#
#   47 ILE  HB           47 ILE  QG2         2.80    (#   1596:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 705, 706, 707,
 &end
#
#   53 LYS  HD+          11 LEU  QD-         4.50    (#   1597:25  Preassigned    2.93, 5.94 A)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 819, 820,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1598    64 LEU  HA          4.50    (#   1598:25  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 992,1011,
 &end
#
#   40 ILE  HB           40 ILE  HA          4.50    (#   1599:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 604, 602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB3          51 VAL  HA          4.50    (#   1600:25  Preassigned    2.40, 2.67 A)
 &rst
  ixpk= 1600, nxpk= 25, iat=1011, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1601    34 LYS  HB2         4.50    (#   1601:25  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 523, 524, 523, 524,
 &end
#
#   35 LYS  HD+          35 LYS  HB3         4.50    (#   1602:25  Preassigned    2.45, 2.98 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   65 LEU  HB3           3 VAL  HB          4.50    (#   1603:25  Preassigned    3.11, 3.35 A)
 &rst
  ixpk= 1603, nxpk= 25, iat= 992,  22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  HB           29 ALA  QB          2.80    (#   1604:25  Preassigned    2.13, 3.21 A)
 &rst
  ixpk= 1604, nxpk= 25, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#   40 ILE  HB           40 ILE  HG1+        2.80    (#   1605:25  Preassigned    2.37, 2.42 A)
 &rst
  ixpk= 1605, nxpk= 25, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-3:1606    13 VAL  QG1         4.50    (#   1606:25  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1011, 992,
 igr2= 200, 201, 202,
 &end
#
#    0 AMB  25-3:1607     0 AMB  25-1:1607   3.50    (#   1607:25  Double Ambig)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1011, 992,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002,
 &end
#
#   66 LEU  HB3          51 VAL  QG2         4.50    (#   1608:25  Preassigned    2.97, 4.21 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 781, 782, 783,
 &end
#
#   66 LEU  HB3          16 VAL  QG2         5.50    (#   1609:25  Preassigned    2.55, 3.82 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:1610     0 AMB  25-1:1610   3.50    (#   1610:25  Double Ambig)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 992, 604, 819, 820,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#    0 AMB  25-3:1611    64 LEU  QD-         3.50    (#   1611:25  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1011, 992,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1612    27 VAL  QG1         5.50    (#   1612:25  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 604, 992,1011,
 igr2= 412, 413, 414,
 &end
#
#   66 LEU  HB3          48 VAL  QG1         4.50    (#   1613:25  Preassigned    3.61, 4.40 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   42 ALA  QB           26 GLN  HB3         5.50    (#   1614:25  Preassigned    3.05, 3.71 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 639, 640, 641,
 &end
#
#    0 AMB  25-3:1615     0 AMB  25-1:1615   3.50    (#   1615:25  Double Ambig)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 992, 639, 640, 641,1011,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#   42 ALA  QB           28 VAL  QG2         3.50    (#   1616:25  Unique         2.25, 4.31 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 639, 640, 641,
 igr2= 416, 417, 418,
 &end
#
#   42 ALA  QB            3 VAL  QG2         4.50    (#   1617:25  Preassigned    3.14, 5.42 A)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 639, 640, 641,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:1618    40 VAL  QG2         5.50    (#   1618:25  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 639, 640, 641, 604,
 igr2= 629, 630, 631,
 &end
#
#    0 AMB  25-3:1619     0 AMB  25-1:1619   3.50    (#   1619:25  Double Ambig)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 992,1011,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    0 AMB  25-3:1620    40 VAL  QG1         4.50    (#   1620:25  Single Ambig)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 604, 639, 640, 641,
 igr2= 625, 626, 627,
 &end
#
#   42 ALA  QB           22 ILE  QD1         2.80    (#   1621:25  Preassigned    2.23, 3.70 A)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 639, 640, 641,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1622    67 LEU  QD2         4.50    (#   1622:25  Single Ambig)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 639, 640, 641,1011,
 igr2=1053,1054,1055,
 &end
#
#   42 ALA  QB           42 ALA  HA          2.80    (#   1623:25  Preassigned    2.39, 2.67 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 639, 640, 641,
 &end
#
#   49 LYS  HG+          69 SER  HA          5.50    (#   1625:25  Unique         2.85, 4.64 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 741, 742,
 &end
#
#   44 ARG  HG+          44 ARG  QD          3.50    (#   1626:25  Preassigned    2.25, 2.60 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665,
 igr2= 667, 668,
 &end
#
#   52 LYS  QD           52 LYS  HE+         5.50    (#   1627:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 797, 798,
 igr2= 800, 801,
 &end
#
#   44 ARG  HG+          44 ARG  HB2         3.50    (#   1628:25  Preassigned    2.31, 2.73 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 665,
 &end
#
#    8 ALA  QB           61 GLU  HB3         4.50    (#   1629:25  Preassigned    4.75, 5.82 A)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#    8 ALA  QB           61 GLU  HB2         4.50    (#   1630:25  Preassigned    4.16, 5.33 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#    8 ALA  QB            8 ALA  HA          2.80    (#   1631:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 102, 103, 104,
 &end
#
#   24 LYS  HB2          44 ARG  HA          3.50    (#   1632:25  Preassigned    2.24, 2.34 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 349, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HB3          49 LYS  HA          3.50    (#   1633:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1633, nxpk= 25, iat= 739, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  QD           52 LYS  HA          3.50    (#   1634:25  Preassigned    2.27, 2.87 A)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 797, 798,
 &end
#
#    0 AMB  25-3:1635    68 SER  QB          4.50    (#   1635:25  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 709, 710, 739,
 igr2=1063,1064,
 &end
#
#    8 ALA  QB           60 ASN  HB+         5.50    (#   1636:25  Preassigned    4.81, 5.89 A)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 927, 928,
 &end
#
#    0 AMB  25-3:1637    66 GLU  HG-         5.50    (#   1637:25  Single Ambig)
 &rst
  ixpk= 1637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 739, 797, 798,
 igr2=1032,1033,
 &end
#
#   52 LYS  QD            0 AMB  25-1:1639   3.50    (#   1639:25  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 797, 798,
 igr2=1029, 792,
 &end
#
#    0 AMB  25-3:1640    49 GLU  HB2         5.50    (#   1640:25  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 739, 797, 798,
 &end
#
#   66 LEU  HG            3 VAL  HB          4.50    (#   1641:25  Preassigned    2.12, 2.60 A)
 &rst
  ixpk= 1641, nxpk= 25, iat=1013,  22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  HG-          17 LYS  QB          2.80    (#   1642:25  Preassigned    2.27, 2.76 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   52 LYS  QD           52 LYS  HG-         2.80    (#   1643:25  Preassigned    2.32, 2.70 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 797, 798,
 igr2= 794, 795,
 &end
#
#   52 LYS  QD           64 VAL  QG1         4.50    (#   1644:25  Preassigned    4.14, 5.48 A)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 797, 798,
 igr2= 977, 978, 979,
 &end
#
#    0 AMB  25-3:1645    47 VAL  HA          5.50    (#   1645:25  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1013, 739,
 &end
#
#   24 LYS  HB2          24 LYS  HA          4.50    (#   1646:25  Preassigned    2.47, 2.49 A)
 &rst
  ixpk= 1646, nxpk= 25, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1647     0 AMB  25-1:1647   4.50    (#   1647:25  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 250, 251, 838, 839,
 igr2= 256, 257, 844, 845,
 &end
#
#   53 LYS  HG+          53 LYS  HD-         4.50    (#   1648:25  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 816, 817,
 igr2= 819, 820,
 &end
#
#   53 LYS  HG+          53 LYS  HB3         3.50    (#   1649:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 816, 817,
 &end
#
#   47 ILE  HG1+         47 ILE  HB          3.50    (#   1650:25  Preassigned    2.38, 2.44 A)
 &rst
  ixpk= 1650, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 709, 710,
 &end
#
#    0 AMB  25-3:1651     0 AMB  25-1:1651   2.80    (#   1651:25  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 797, 798, 349,
 igr2= 794, 795, 352, 353,
 &end
#
#   66 LEU  HG           66 LEU  QD-         2.80    (#   1652:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 1652, nxpk= 25, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   66 LEU  HG           48 VAL  QG1         4.50    (#   1653:25  Preassigned    2.69, 5.38 A)
 &rst
  ixpk= 1653, nxpk= 25, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 724, 725, 726,
 &end
#
#   13 LYS  HD+          13 LYS  HA          4.50    (#   1654:25  Preassigned    2.18, 3.95 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 183,
 &end
#
#   68 LEU  HB2          46 GLY  HA+         5.50    (#   1655:25  Preassigned    4.04, 5.18 A)
 &rst
  ixpk= 1655, nxpk= 25, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    0 AMB  25-3:1656    45 GLY  HA-         5.50    (#   1656:25  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 709, 710,1044,
 igr2= 694, 695,
 &end
#
#   53 LYS  HG+          53 LYS  QE          3.50    (#   1657:25  Preassigned    2.40, 2.97 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 816, 817,
 igr2= 822, 823,
 &end
#
#   13 LYS  HD+          13 LYS  HE+         4.50    (#   1658:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD+          13 LYS  HE-         4.50    (#   1659:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   54 LYS  HG+          54 LYS  QB          2.80    (#   1660:25  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#   29 ALA  QB           28 VAL  QG2         5.50    (#   1661:25  Preassigned    3.54, 6.12 A)
 &rst
  ixpk= 1661, 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
#
#   29 ALA  QB           16 VAL  QG2         5.50    (#   1663:25  Preassigned    4.23, 6.33 A)
 &rst
  ixpk= 1663, 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
#
#   13 LYS  HD+          13 LYS  HG-         5.50    (#   1664:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   29 ALA  QB           28 VAL  QG1         5.50    (#   1665:25  Preassigned    2.93, 6.17 A)
 &rst
  ixpk= 1665, 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
#
#    0 AMB  25-3:1666     0 AMB  25-1:1666   2.80    (#   1666:25  Double Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 709, 710, 426, 427, 428,
 igr2= 705, 706, 707, 606, 607, 608,
 &end
#
#   66 LEU  HG           22 ILE  QD1         5.50    (#   1667:25  Preassigned    3.15, 4.67 A)
 &rst
  ixpk= 1667, nxpk= 25, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   30 ILE  HG1+         30 ILE  HA          4.50    (#   1668:25  Preassigned    2.51, 2.74 A)
 &rst
  ixpk= 1668, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 442, 443,
 &end
#
#   29 ALA  QB           14 VAL  HA          3.50    (#   1669:25  Preassigned    2.52, 3.26 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#   29 ALA  QB           29 ALA  HA          2.80    (#   1670:25  Preassigned    2.46, 2.68 A)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 426, 427, 428,
 &end
#
#   32 GLU  HB2          12 TRP  HB2         4.50    (#   1671:25  Preassigned    2.30, 2.41 A)
 &rst
  ixpk= 1671, nxpk= 25, iat= 474, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1672    11 TRP  HB3         5.50    (#   1672:25  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 474, 442, 443, 182, 183, 426, 427, 428,
 &end
#
#    0 AMB  25-3:1673     9 ASN  HB2         5.50    (#   1673:25  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 474, 133,
 &end
#
#   32 GLU  HB2          32 GLU  HG-         2.80    (#   1674:25  Preassigned    2.30, 2.68 A)
 &rst
  ixpk= 1674, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 477, 478,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          2.80    (#   1675:25  Preassigned    2.49, 2.78 A)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 442, 443,
 &end
#
#   32 GLU  HB2          32 GLU  HG+         2.80    (#   1676:25  Preassigned    2.30, 2.68 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 477, 478,
 &end
#
#   29 ALA  QB           40 ILE  HB          3.50    (#   1677:25  Preassigned    2.13, 3.21 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-3:1678    50 VAL  QG1         5.50    (#   1678:25  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 816, 817, 426, 427, 428,
 igr2= 777, 778, 779,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#   1679:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 1679, 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
#
#   30 ILE  HG1+         30 ILE  QG2         4.50    (#   1680:25  Preassigned    2.48, 3.53 A)
 &rst
  ixpk= 1680, 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
#
#   29 ALA  QB           14 VAL  QG2         2.80    (#   1681:25  Preassigned    2.51, 4.07 A)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 426, 427, 428,
 igr2= 204, 205, 206,
 &end
#
#   11 LEU  HB2          59 VAL  QG1         3.50    (#   1682:25  Preassigned    2.33, 3.17 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  25-3:1683     0 AMB  25-1:1683   3.50    (#   1683:25  Double Ambig)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 426, 427, 428, 133,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   29 ALA  QB           11 LEU  QD+         2.80    (#   1684:25  Preassigned    2.21, 4.19 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 426, 427, 428,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1685    10 LEU  QD-         2.80    (#   1685:25  Single Ambig)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 426, 427, 428, 133,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   49 LYS  HG+          49 LYS  HA          4.50    (#   1686:25  Preassigned    2.40, 2.90 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 741, 742,
 &end
#
#    0 AMB  25-3:1687    64 LEU  HA          3.50    (#   1687:25  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 994,  55,  56,
 &end
#
#   11 LEU  HB2          11 LEU  HA          3.50    (#   1688:25  Preassigned    2.53, 2.63 A)
 &rst
  ixpk= 1688, nxpk= 25, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HG1+          5 ILE  HA          4.50    (#   1689:25  Preassigned    2.42, 3.47 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#   11 LEU  HB2          55 GLU  HA          5.50    (#   1690:25  Preassigned    3.45, 5.17 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 133, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1+         59 VAL  HB          5.50    (#   1691:25  Preassigned    2.19, 2.96 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1+          5 ILE  HB          3.50    (#   1692:25  Preassigned    2.39, 2.53 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#   65 LEU  HG           65 LEU  HB3         3.50    (#   1693:25  Preassigned    2.45, 2.65 A)
 &rst
  ixpk= 1693, nxpk= 25, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HG+          49 LYS  HD-         2.80    (#   1694:25  Preassigned    2.39, 2.73 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 741, 742,
 igr2= 744, 745,
 &end
#
#    5 ILE  HG1+          5 ILE  QG2         4.50    (#   1695:25  Preassigned    2.22, 3.39 A)
 &rst
  ixpk= 1695, 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
#
#   68 LEU  HG           66 LEU  QD+         3.50    (#   1696:25  Preassigned    2.44, 4.32 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  25-3:1697    64 LEU  QD-         2.80    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 426, 427, 428, 994,  55,  56,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1698    58 VAL  QG2         4.50    (#   1698:25  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  55,  56, 133,
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  25-3:1699     0 AMB  25-1:1699   3.50    (#   1699:25  Double Ambig)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  55,  56,  55,  56, 133, 577, 578, 577, 578, 474,
      
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466, 460, 461,
       462, 464, 465, 466, 460, 461, 462, 464, 465, 466,
      
 &end
#
#   38 ILE  HG1+         38 ILE  HA          4.50    (#   1700:25  Preassigned    2.48, 3.11 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 577, 578,
 &end
#
#   38 ILE  HG1+         33 SER  HB3         5.50    (#   1701:25  Preassigned    4.86, 5.60 A)
 &rst
  ixpk= 1701, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 577, 578,
 &end
#
#   38 ILE  HG1+         36 MET  HB3         5.50    (#   1702:25  Preassigned    3.07, 4.02 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 577, 578,
 &end
#
#   38 ILE  HG1+         38 ILE  HB          3.50    (#   1703:25  Preassigned    2.69, 2.86 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 577, 578,
 &end
#
#    0 AMB  25-3:1704    64 LEU  HB2         3.50    (#   1704:25  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 994,  55,  56,
 &end
#
#    0 AMB  25-3:1705     0 AMB  25-1:1705   4.50    (#   1705:25  Double Ambig)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 994,1047,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#   38 ILE  HG1+         38 ILE  QG2         3.50    (#   1706:25  Preassigned    2.25, 3.12 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 577, 578,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  25-3:1707     0 AMB  25-1:1707   2.80    (#   1707:25  Double Ambig)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 994,  55,  56,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002,
 &end
#
#   38 ILE  HG1+         38 ILE  QD1         3.50    (#   1708:25  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 1708, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 577, 578,
 igr2= 580, 581, 582,
 &end
#
#   68 LEU  HG           22 ILE  QD1         5.50    (#   1709:25  Preassigned    3.81, 4.75 A)
 &rst
  ixpk= 1709, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   68 LEU  HG           68 LEU  QD1         2.80    (#   1710:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1049,1050,1051,
 &end
#
#   68 LEU  HG           68 LEU  QD2         2.80    (#   1711:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:1712    12 LYS  HA          3.50    (#   1712:25  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 182, 183, 177,
 &end
#
#   40 ILE  HG1+         40 ILE  HA          4.50    (#   1713:25  Preassigned    3.13, 3.51 A)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#    0 AMB  25-3:1714    13 VAL  HA          5.50    (#   1714:25  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 177, 182, 183, 813,
 &end
#
#   44 ARG  HG-          44 ARG  QD          3.50    (#   1715:25  Preassigned    2.25, 2.60 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 664, 665,
 igr2= 667, 668,
 &end
#
#   13 LYS  HD-          13 LYS  HE+         4.50    (#   1716:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD-          13 LYS  HE-         4.50    (#   1717:25  Preassigned    2.36, 2.72 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   44 ARG  HG-          44 ARG  HB2         4.50    (#   1718:25  Preassigned    2.31, 2.73 A)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 665,
 &end
#
#   44 ARG  HG-          44 ARG  HB3         4.50    (#   1719:25  Preassigned    2.34, 2.79 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 665,
 &end
#
#    0 AMB  25-3:1720    29 ILE  HB          4.50    (#   1720:25  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 182, 183, 177, 610, 611,
 &end
#
#   40 ILE  HG1+         40 ILE  HB          3.50    (#   1721:25  Preassigned    2.37, 2.42 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 610, 611,
 &end
#
#   13 LYS  HD-          30 ILE  QD1         4.50    (#   1722:25  Preassigned    3.20, 5.95 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 182, 183,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:1723    29 ILE  QG2         4.50    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 610, 611, 182, 183, 177,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:1724    12 LYS  HG-         4.50    (#   1724:25  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 182, 183, 177,
 igr2= 179, 180,
 &end
#
#   40 ILE  HG1+         40 ILE  QG2         3.50    (#   1726:25  Preassigned    2.44, 3.55 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 610, 611,
 igr2= 606, 607, 608,
 &end
#
#   40 ILE  HG1+         30 ILE  HA          5.50    (#   1727:25  Unique         2.71, 3.43 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 610, 611,
 &end
#
#   31 LEU  HB2           9 GLY  HA+         5.50    (#   1728:25  Preassigned    5.51, 6.44 A)
 &rst
  ixpk= 1728, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   31 LEU  HB2           9 GLY  HA-         7.00    (#   1729:25  Preassigned    5.51, 6.44 A)
 &rst
  ixpk= 1729, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 110, 111,
 &end
#
#   31 LEU  HB2          33 SER  HB2         7.00    (#   1730:25  Preassigned    5.86, 5.93 A)
 &rst
  ixpk= 1730, nxpk= 25, iat= 455, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 LYS  HG+          35 LYS  HB2         3.50    (#   1731:25  Preassigned    2.41, 2.69 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 520, 521,
 &end
#
#    0 AMB  25-3:1732     0 AMB  25-1:1732   7.00    (#   1732:25  Double Ambig)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 813, 455,
 igr2= 775, 475,
 &end
#
#   53 LYS  HB2          53 LYS  HD-         5.50    (#   1733:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1733, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 819, 820,
 &end
#
#   53 LYS  HB2          53 LYS  HD-         5.50    (#   1734:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1734, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 819, 820,
 &end
#
#   35 LYS  HG+          35 LYS  HB3         4.50    (#   1735:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 LYS  HG+          35 LYS  HD+         2.80    (#   1736:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1736, 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 LYS  HG+          35 LYS  HD-         2.80    (#   1737:25  Preassigned    2.39, 2.73 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
#   53 LYS  HB2          53 LYS  HG-         2.80    (#   1738:25  Preassigned    2.37, 2.46 A)
 &rst
  ixpk= 1738, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 816, 817,
 &end
#
#    0 AMB  25-3:1739     4 ILE  QG2         4.50    (#   1739:25  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 455, 610, 611,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1740     0 AMB  25-1:1740   2.80    (#   1740:25  Double Ambig)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 610, 611, 455, 610, 611,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   31 LEU  HB2          31 LEU  HG          3.50    (#   1741:25  Preassigned    2.24, 2.27 A)
 &rst
  ixpk= 1741, nxpk= 25, iat= 455, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HG-          49 LYS  HA          4.50    (#   1742:25  Preassigned    2.40, 2.90 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 741, 742,
 &end
#
#   49 LYS  HG-          69 SER  QB          5.50    (#   1743:25  Preassigned    4.41, 6.08 A)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 741, 742,
 igr2=1063,1064,
 &end
#
#   31 LEU  HB2          32 GLU  HB3         7.00    (#   1745:25  Preassigned    6.64, 6.70 A)
 &rst
  ixpk= 1745, nxpk= 25, iat= 455, 475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   49 LYS  HG-          50 GLU  HB2         5.50    (#   1746:25  Preassigned    2.64, 3.86 A)
 &rst
  ixpk= 1746, nxpk= 25, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 741, 742,
 &end
#
#   49 LYS  HG-          49 LYS  HB2         3.50    (#   1747:25  Preassigned    2.31, 2.74 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 741, 742,
 &end
#
#   49 LYS  HG-          49 LYS  HB3         3.50    (#   1748:25  Preassigned    2.39, 2.75 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 741, 742,
 &end
#
#   31 LEU  HB2          59 VAL  QG1         5.50    (#   1749:25  Preassigned    5.57, 6.75 A)
 &rst
  ixpk= 1749, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   31 LEU  HB2           0 AMB  25-1:1750   2.80    (#   1750:25  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:1751     0 AMB  25-1:1751   4.50    (#   1751:25  Double Ambig)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 838, 839, 269, 270, 271,
 igr2= 833, 245,
 &end
#
#    0 AMB  25-3:1752     0 AMB  25-1:1752   5.50    (#   1752:25  Double Ambig)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 269, 270, 271, 838, 839, 136,
 igr2= 277, 278, 870, 871, 870, 871,
 &end
#
#   18 ALA  QB           50 GLU  HA          4.50    (#   1753:25  Preassigned    2.52, 3.64 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  25-3:1754    10 LEU  HA          4.50    (#   1754:25  Single Ambig)
 &rst
  ixpk= 1754, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 136, 455,
 &end
#
#   18 ALA  QB           18 ALA  HA          2.80    (#   1755:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  25-3:1756    54 GLU  HA          4.50    (#   1756:25  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 136, 838, 839,
 &end
#
#   18 ALA  QB           48 VAL  HB          5.50    (#   1757:25  Preassigned    5.19, 5.64 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  25-3:1758    49 GLU  HG-         5.50    (#   1758:25  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 269, 270, 271, 741, 742,
 igr2= 763, 764,
 &end
#
#   49 LYS  HG-          50 GLU  HB3         5.50    (#   1759:25  Preassigned    3.31, 4.88 A)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 741, 742,
 &end
#
#   11 LEU  HG           11 LEU  HB3         4.50    (#   1760:25  Preassigned    2.50, 2.60 A)
 &rst
  ixpk= 1760, nxpk= 25, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HG-          54 LYS  QB          2.80    (#   1761:25  Preassigned    2.42, 2.78 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#    0 AMB  25-3:1762     0 AMB  25-1:1762   2.80    (#   1762:25  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 838, 839, 741, 742,
 igr2= 841, 842, 744, 745,
 &end
#
#   11 LEU  HG           11 LEU  HB2         3.50    (#   1763:25  Preassigned    2.56, 2.97 A)
 &rst
  ixpk= 1763, nxpk= 25, iat= 136, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1765     0 AMB  25-1:1765   2.80    (#   1765:25  Double Ambig)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 136, 269, 270, 271,
 igr2= 204, 205, 206, 781, 782, 783,
 &end
#
#   11 LEU  HG           59 VAL  QG2         4.50    (#   1766:25  Preassigned    2.44, 5.28 A)
 &rst
  ixpk= 1766, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 917, 918, 919,
 &end
#
#   18 ALA  QB           48 VAL  QG1         4.50    (#   1767:25  Preassigned    3.79, 5.68 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 269, 270, 271,
 igr2= 724, 725, 726,
 &end
#
#    0 AMB  25-3:1768     0 AMB  25-1:1768   2.80    (#   1768:25  Double Ambig)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 136, 455,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   35 LYS  HG-          35 LYS  HA          3.50    (#   1770:25  Preassigned    2.46, 3.02 A)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 520, 521,
 &end
#
#   54 LYS  HG-          54 LYS  QE          3.50    (#   1771:25  Preassigned    2.47, 3.19 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 838, 839,
 igr2= 844, 845,
 &end
#
#   35 LYS  HG-          35 LYS  HB3         4.50    (#   1772:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   40 ILE  HG1-         40 ILE  HB          4.50    (#   1773:25  Preassigned    2.37, 2.42 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#   52 LYS  HG-          52 LYS  QD          2.80    (#   1774:25  Preassigned    2.32, 2.70 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 794, 795,
 igr2= 797, 798,
 &end
#
#   52 LYS  HG-          51 VAL  HA          5.50    (#   1775:25  Preassigned    3.19, 4.29 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#   40 ILE  HG1-         40 ILE  HA          4.50    (#   1776:25  Preassigned    3.13, 3.51 A)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#    0 AMB  25-3:1777    63 VAL  HA          5.50    (#   1777:25  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 991, 794, 795,
 &end
#
#   52 LYS  HG-          52 LYS  HE+         5.50    (#   1780:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 794, 795,
 igr2= 800, 801,
 &end
#
#   52 LYS  HG-           0 AMB  25-1:1784   3.50    (#   1784:25  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 794, 795,
 igr2= 792,1029,
 &end
#
#   17 LYS  HG+          17 LYS  QB          2.80    (#   1785:25  Preassigned    2.27, 2.76 A)
 &rst
  ixpk= 1785, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   52 LYS  HG-          52 LYS  HB2         2.80    (#   1786:25  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 794, 795,
 &end
#
#   22 ILE  HG1+         22 ILE  HB          3.50    (#   1787:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 321, 322,
 &end
#
#   40 ILE  HG1-         30 ILE  HG1-        4.50    (#   1789:25  Preassigned    5.04, 5.87 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 610, 611,
 igr2= 442, 443,
 &end
#
#   22 ILE  HG1+         48 VAL  QG2         3.50    (#   1791:25  Preassigned    3.27, 4.71 A)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 728, 729, 730,
 &end
#
#   40 ILE  HG1-          5 ILE  QG2         4.50    (#   1792:25  Preassigned    3.05, 4.99 A)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 610, 611,
 igr2=  51,  52,  53,
 &end
#
#   65 LEU  HB2          65 LEU  QD+         3.50    (#   1793:25  Preassigned    2.37, 3.37 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1794     0 AMB  25-1:1794   4.50    (#   1794:25  Double Ambig)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 991, 321, 322,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    0 AMB  25-3:1795    65 LEU  QD-         5.50    (#   1795:25  Single Ambig)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 991, 321, 322,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   52 LYS  HG-          64 VAL  QG1         3.50    (#   1796:25  Preassigned    2.31, 3.35 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 794, 795,
 igr2= 977, 978, 979,
 &end
#
#   22 ILE  HG1+         22 ILE  QG2         4.50    (#   1797:25  Preassigned    2.66, 3.62 A)
 &rst
  ixpk= 1797, 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
#
#   40 ILE  HG1-          0 AMB  25-1:1798   2.80    (#   1798:25  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 610, 611,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   65 LEU  HB2          65 LEU  QD-         4.50    (#   1799:25  Preassigned    2.37, 3.37 A)
 &rst
  ixpk= 1799, nxpk= 25, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   40 ILE  HG1-         40 ILE  QG2         3.50    (#   1800:25  Preassigned    2.44, 3.55 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 610, 611,
 igr2= 606, 607, 608,
 &end
#
#   65 LEU  HB2          65 LEU  HA          3.50    (#   1801:25  Preassigned    2.42, 2.49 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  HG-          64 VAL  HB          5.50    (#   1802:25  Preassigned    2.56, 3.78 A)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#   22 ILE  HG1+         22 ILE  QD1         2.80    (#   1804:25  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 1804, 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
#
#   22 ILE  HG1+         68 LEU  QD2         4.50    (#   1805:25  Preassigned    2.64, 4.02 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2=1053,1054,1055,
 &end
#
#   72 THR  QG2          72 THR  HA          4.50    (#   1806:25  Preassigned    2.37, 3.05 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1101,1102,1103,
 &end
#
#   72 THR  QG2          72 THR  HB          4.50    (#   1807:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1101,1102,1103,
 &end
#
#    2 THR  QG2           2 THR  HB          4.50    (#   1808:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=  -1,   8, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  10,  11,  12,
 &end
#
#   52 LYS  HG+          52 LYS  HA          3.50    (#   1809:25  Preassigned    3.10, 3.57 A)
 &rst
  ixpk= 1809, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 794, 795,
 &end
#
#   24 LYS  QG           24 LYS  HB3         2.80    (#   1810:25  Preassigned    2.42, 2.76 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 352, 353,
 &end
#
#   24 LYS  QG           24 LYS  QD          2.80    (#   1811:25  Preassigned    2.37, 2.71 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 352, 353,
 igr2= 355, 356,
 &end
#
#   24 LYS  QG           24 LYS  HB2         2.80    (#   1812:25  Preassigned    2.46, 2.79 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 352, 353,
 &end
#
#   13 LYS  HB2          13 LYS  HA          3.50    (#   1814:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1814, nxpk= 25, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LYS  QG           24 LYS  HA          3.50    (#   1815:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#   13 LYS  HB2          30 ILE  HB          4.50    (#   1816:25  Preassigned    2.73, 2.85 A)
 &rst
  ixpk= 1816, nxpk= 25, iat= 176, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HB2          13 LYS  HG-         4.50    (#   1817:25  Preassigned    2.39, 2.66 A)
 &rst
  ixpk= 1817, nxpk= 25, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   38 ILE  HG1-         38 ILE  HA          4.50    (#   1818:25  Preassigned    2.48, 3.11 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 577, 578,
 &end
#
#   53 LYS  HG-          65 LEU  HA          4.50    (#   1819:25  Preassigned    2.43, 2.73 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 816, 817,
 &end
#
#   51 VAL  QG1          51 VAL  HA          3.50    (#   1820:25  Preassigned    2.45, 3.07 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 777, 778, 779,
 &end
#
#   14 VAL  QG1          14 VAL  HA          3.50    (#   1821:25  Preassigned    2.51, 3.17 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#    0 AMB  25-3:1822    28 ALA  HA          5.50    (#   1822:25  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 200, 201, 202, 176,
 &end
#
#   38 ILE  HG1-         39 PRO  HD+         5.50    (#   1823:25  Preassigned    4.22, 5.05 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 577, 578,
 igr2= 587, 588,
 &end
#
#   14 VAL  QG1          14 VAL  HB          2.80    (#   1824:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 200, 201, 202,
 &end
#
#   51 VAL  QG1          51 VAL  HB          2.80    (#   1825:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1825, nxpk= 25, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 777, 778, 779,
 &end
#
#   53 LYS  HG-          53 LYS  HD-         4.50    (#   1826:25  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 816, 817,
 igr2= 819, 820,
 &end
#
#   38 ILE  HG1-         38 ILE  HB          4.50    (#   1827:25  Preassigned    2.69, 2.86 A)
 &rst
  ixpk= 1827, nxpk= 25, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 577, 578,
 &end
#
#   53 LYS  HG-          53 LYS  HB3         3.50    (#   1828:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 816, 817,
 &end
#
#   53 LYS  HG-          53 LYS  HD+         3.50    (#   1829:25  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 816, 817,
 igr2= 819, 820,
 &end
#
#   14 VAL  QG1          29 ALA  QB          3.50    (#   1830:25  Preassigned    2.53, 4.69 A)
 &rst
  ixpk= 1830, 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
#
#   38 ILE  HG1-         38 ILE  QG2         3.50    (#   1831:25  Preassigned    2.25, 3.12 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 577, 578,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  25-3:1832     0 AMB  25-1:1832   2.80    (#   1832:25  Double Ambig)
 &rst
  ixpk= 1832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 200, 201, 202, 816, 817, 777, 778, 779,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002, 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1833     0 AMB  25-1:1833   4.50    (#   1833:25  Double Ambig)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 777, 778, 779, 200, 201, 202,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    0 AMB  25-3:1834    15 VAL  QG2         3.50    (#   1834:25  Single Ambig)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 777, 778, 779, 200, 201, 202,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:1835    64 LEU  QD-         4.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 200, 201, 202, 816, 817, 777, 778, 779,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   51 VAL  QG1          48 VAL  QG1         4.50    (#   1836:25  Preassigned    4.48, 5.72 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 777, 778, 779,
 igr2= 724, 725, 726,
 &end
#
#    0 AMB  25-3:1837     0 AMB  25-1:1837   4.50    (#   1837:25  Double Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 816, 817, 200, 201, 202,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  25-3:1838    10 LEU  QD-         3.50    (#   1838:25  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 816, 817, 200, 201, 202,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  HG1-         38 ILE  QD1         2.80    (#   1839:25  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 577, 578,
 igr2= 580, 581, 582,
 &end
#
#   30 ILE  HG1-         30 ILE  HA          4.50    (#   1840:25  Preassigned    2.51, 2.74 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 442, 443,
 &end
#
#    5 ILE  HG1-          5 ILE  HA          4.50    (#   1841:25  Preassigned    2.42, 3.47 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    0 AMB  25-3:1842    20 GLN  QB          5.50    (#   1842:25  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 709, 710, 321, 322,
 igr2= 298, 299,
 &end
#
#    0 AMB  25-3:1843    20 GLN  QB          5.50    (#   1843:25  Single Ambig)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 709, 710, 321, 322,
 igr2= 298, 299,
 &end
#
#    5 ILE  HG1-          5 ILE  HB          4.50    (#   1844:25  Preassigned    2.39, 2.53 A)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#   30 ILE  HG1-         30 ILE  HB          3.50    (#   1845:25  Preassigned    2.49, 2.78 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 442, 443,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1846:25  Preassigned    2.38, 2.44 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#   22 ILE  HG1-         22 ILE  HB          4.50    (#   1847:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#    5 ILE  HG1-         65 LEU  HB2         5.50    (#   1848:25  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1-          5 ILE  QG2         3.50    (#   1849:25  Preassigned    2.22, 3.39 A)
 &rst
  ixpk= 1849, 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  HG1-          0 AMB  25-1:1850   2.80    (#   1850:25  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  55,  56,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#    0 AMB  25-3:1851     0 AMB  25-1:1851   3.50    (#   1851:25  Double Ambig)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 709, 710,  55,  56,
 igr2= 705, 706, 707, 606, 607, 608,
 &end
#
#   22 ILE  HG1-         68 LEU  QD2         4.50    (#   1852:25  Preassigned    2.64, 4.02 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2=1053,1054,1055,
 &end
#
#    5 ILE  HG1-         65 LEU  QD+         4.50    (#   1853:25  Preassigned    2.80, 5.56 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  55,  56,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    5 ILE  HG1-         59 VAL  QG2         4.50    (#   1854:25  Preassigned    2.49, 4.45 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  55,  56,
 igr2= 917, 918, 919,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         2.80    (#   1855:25  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 1855, 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
#
#   53 LYS  HG-          59 VAL  QG1         4.50    (#   1856:25  Preassigned    2.57, 3.89 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 816, 817,
 igr2= 913, 914, 915,
 &end
#
#   30 ILE  QG2          38 ILE  HA          5.50    (#   1858:25  Preassigned    4.33, 5.33 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#    3 VAL  QG1           3 VAL  HA          3.50    (#   1860:25  Preassigned    2.44, 3.11 A)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG1          42 ALA  HA          4.50    (#   1861:25  Preassigned    2.20, 3.26 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#   30 ILE  QD1          29 ALA  HA          5.50    (#   1862:25  Preassigned    5.35, 5.93 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 445, 446, 447,
 &end
#
#    0 AMB  25-3:1863     0 AMB  25-1:1863   5.50    (#   1863:25  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 438, 439, 440, 445, 446, 447,
 igr2= 587, 588, 587, 588,
 &end
#
#   64 VAL  QG2          64 VAL  HA          3.50    (#   1864:25  Preassigned    2.48, 3.18 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 981, 982, 983,
 &end
#
#    0 AMB  25-3:1865     0 AMB  25-1:1865   5.50    (#   1865:25  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 981, 982, 983,  24,  25,  26,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:1866     3 SER  HB2         5.50    (#   1866:25  Single Ambig)
 &rst
  ixpk= 1866, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 981, 982, 983,  24,  25,  26,
 &end
#
#   16 VAL  QG1          15 HID  HB3         5.50    (#   1867:25  Preassigned    4.78, 5.99 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG1          15 HID  HB3         5.50    (#   1868:25  Preassigned    4.78, 5.99 A)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    3 VAL  QG1          44 ARG  QD          5.50    (#   1869:25  Preassigned    4.45, 7.46 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 667, 668,
 &end
#
#   16 VAL  QG1          15 HID  HB2         4.50    (#   1870:25  Preassigned    3.45, 4.66 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG1          20 ASP  HB2         5.50    (#   1871:25  Preassigned    4.41, 5.55 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG1          20 ASP  HB2         5.50    (#   1872:25  Preassigned    4.41, 5.55 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1873     0 AMB  25-1:1873   5.50    (#   1873:25  Double Ambig)
 &rst
  ixpk= 1873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 445, 446, 447, 438, 439, 440,
 igr2= 593, 594, 593, 594,
 &end
#
#   30 ILE  QG2          39 PRO  HG-         5.50    (#   1874:25  Unique         4.92, 7.34 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 590, 591,
 &end
#
#   64 VAL  QG2          64 VAL  HB          2.80    (#   1875:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 981, 982, 983,
 &end
#
#    0 AMB  25-3:1876    65 LEU  HB2         5.50    (#   1876:25  Single Ambig)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235,  24,  25,  26,
 &end
#
#    0 AMB  25-3:1877    29 ILE  HB          2.80    (#   1877:25  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#    0 AMB  25-3:1878    65 LEU  HB3         5.50    (#   1878:25  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235,  24,  25,  26,
 &end
#
#   30 ILE  QD1          30 ILE  HG1+        2.80    (#   1879:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 445, 446, 447,
 igr2= 442, 443,
 &end
#
#   30 ILE  QD1          13 LYS  HB3         4.50    (#   1880:25  Preassigned    4.26, 5.52 A)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 445, 446, 447,
 &end
#
#   30 ILE  QD1          13 LYS  HD-         5.50    (#   1881:25  Preassigned    3.20, 5.95 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447,
 igr2= 182, 183,
 &end
#
#    3 VAL  QG1          44 ARG  HG-         5.50    (#   1882:25  Preassigned    4.70, 6.40 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 664, 665,
 &end
#
#   16 VAL  QG1          17 LYS  HG+         5.50    (#   1883:25  Preassigned    5.69, 7.07 A)
 &rst
  ixpk= 1883, 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
#
#   30 ILE  QD1          13 LYS  HB2         4.50    (#   1884:25  Preassigned    2.85, 4.13 A)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 445, 446, 447,
 &end
#
#   30 ILE  QG2          38 ILE  QD1         4.50    (#   1885:25  Preassigned    5.36, 6.89 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 438, 439, 440,
 igr2= 580, 581, 582,
 &end
#
#   16 VAL  QG1          51 VAL  QG2         4.50    (#   1886:25  Preassigned    4.71, 5.94 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 233, 234, 235,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:1887    65 LEU  QD-         2.80    (#   1887:25  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 233, 234, 235,  24,  25,  26,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  25-3:1888    12 LYS  HG-         5.50    (#   1888:25  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 445, 446, 447, 438, 439, 440,
 igr2= 179, 180,
 &end
#
#   16 VAL  QG1          22 ILE  QG2         2.80    (#   1889:25  Preassigned    2.31, 3.30 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 233, 234, 235,
 igr2= 317, 318, 319,
 &end
#
#    3 VAL  QG1          68 LEU  QD1         4.50    (#   1890:25  Preassigned    4.84, 6.76 A)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  24,  25,  26,
 igr2=1049,1050,1051,
 &end
#
#   16 VAL  QG1          68 LEU  QD2         5.50    (#   1891:25  Preassigned    5.21, 6.89 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 233, 234, 235,
 igr2=1053,1054,1055,
 &end
#
#   30 ILE  QG2          30 ILE  HA          3.50    (#   1892:25  Preassigned    2.66, 3.28 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 438, 439, 440,
 &end
#
#   30 ILE  QG2          12 TRP  HB2         5.50    (#   1893:25  Preassigned    2.69, 3.78 A)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   30 ILE  QG2          12 TRP  HB3         4.50    (#   1894:25  Preassigned    2.24, 3.12 A)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:1895     0 AMB  25-1:1895   4.50    (#   1895:25  Double Ambig)
 &rst
  ixpk= 1895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 438, 439, 440, 445, 446, 447,
 igr2= 559, 560, 559, 560,
 &end
#
#    0 AMB  25-3:1896    36 GLU  HB2         4.50    (#   1896:25  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 25, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#   30 ILE  QG2          37 GLU  HB3         4.50    (#   1897:25  Preassigned    2.48, 2.71 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:1898    36 GLU  HG-         4.50    (#   1898:25  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 438, 439, 440, 445, 446, 447,
 igr2= 559, 560,
 &end
#
#   16 VAL  QG1          29 ALA  QB          5.50    (#   1899:25  Preassigned    5.28, 7.40 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 233, 234, 235,
 igr2= 426, 427, 428,
 &end
#
#   28 VAL  QG2          28 VAL  HB          2.80    (#   1901:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG2          26 GLN  HG+         5.50    (#   1902:25  Preassigned    3.79, 6.66 A)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 416, 417, 418,
 igr2= 381, 382,
 &end
#
#   28 VAL  QG2          26 GLN  HB3         5.50    (#   1903:25  Preassigned    3.24, 5.04 A)
 &rst
  ixpk= 1903, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG2          42 ALA  QB          4.50    (#   1904:25  Preassigned    2.25, 4.31 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 416, 417, 418,
 igr2= 639, 640, 641,
 &end
#
#   28 VAL  QG2          27 GLU  HA          5.50    (#   1906:25  Preassigned    3.43, 4.67 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG2          26 GLN  HG-         5.50    (#   1907:25  Preassigned    3.79, 6.66 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 416, 417, 418,
 igr2= 381, 382,
 &end
#
#   48 VAL  QG2          48 VAL  HB          2.80    (#   1908:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 728, 729, 730,
 &end
#
#   28 VAL  QG2          22 ILE  HB          4.50    (#   1909:25  Preassigned    3.11, 4.63 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   48 VAL  QG2          22 ILE  HG1+        4.50    (#   1910:25  Preassigned    3.27, 4.71 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 728, 729, 730,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:1911    21 ILE  QD1         2.80    (#   1911:25  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 416, 417, 418, 728, 729, 730,
 igr2= 324, 325, 326,
 &end
#
#   38 ILE  QG2          38 ILE  HA          3.50    (#   1912:25  Preassigned    2.41, 3.09 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 573, 574, 575,
 &end
#
#    5 ILE  QG2           5 ILE  HA          3.50    (#   1913:25  Preassigned    2.47, 3.15 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#   38 ILE  QG2          39 PRO  HD+         4.50    (#   1914:25  Preassigned    2.35, 3.72 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 573, 574, 575,
 igr2= 587, 588,
 &end
#
#   38 ILE  QG2          39 PRO  HD-         4.50    (#   1915:25  Preassigned    2.35, 3.72 A)
 &rst
  ixpk= 1915, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 573, 574, 575,
 igr2= 587, 588,
 &end
#
#   48 VAL  QG2          48 VAL  HA          3.50    (#   1916:25  Preassigned    2.49, 3.15 A)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          18 ALA  HA          5.50    (#   1917:25  Preassigned    4.89, 5.48 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#    5 ILE  QG2          61 GLU  HA          4.50    (#   1918:25  Preassigned    3.64, 4.97 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#   48 VAL  QG2          20 ASP  HB3         4.50    (#   1919:25  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          20 ASP  HB2         5.50    (#   1920:25  Preassigned    4.01, 4.87 A)
 &rst
  ixpk= 1920, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          20 ASP  HB2         5.50    (#   1921:25  Preassigned    4.01, 4.87 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#    5 ILE  QG2           5 ILE  HB          2.80    (#   1922:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#   38 ILE  QG2          38 ILE  HB          2.80    (#   1923:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 573, 574, 575,
 &end
#
#    0 AMB  25-3:1924    30 LEU  HB3         5.50    (#   1924:25  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53, 573, 574, 575,
 &end
#
#    0 AMB  25-3:1925     0 AMB  25-1:1925   2.80    (#   1925:25  Double Ambig)
 &rst
  ixpk= 1925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  51,  52,  53, 573, 574, 575,
 igr2=  55,  56, 577, 578,
 &end
#
#    5 ILE  QG2          31 LEU  HB2         5.50    (#   1926:25  Preassigned    2.96, 4.11 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   38 ILE  QG2          38 ILE  HG1-        2.80    (#   1927:25  Preassigned    2.25, 3.12 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 573, 574, 575,
 igr2= 577, 578,
 &end
#
#   48 VAL  QG2          22 ILE  HG1-        4.50    (#   1929:25  Preassigned    3.27, 4.71 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 728, 729, 730,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:1930    15 VAL  QG2         3.50    (#   1930:25  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 728, 729, 730, 416, 417, 418,
 igr2= 237, 238, 239,
 &end
#
#   48 VAL  QG2          68 LEU  QD1         4.50    (#   1931:25  Preassigned    5.15, 6.83 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 728, 729, 730,
 igr2=1049,1050,1051,
 &end
#
#    5 ILE  QG2           0 AMB  25-1:1932   3.50    (#   1932:25  Single Ambig)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  51,  52,  53,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   48 VAL  QG2          68 LEU  QD2         3.50    (#   1933:25  Preassigned    2.69, 4.07 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 728, 729, 730,
 igr2=1053,1054,1055,
 &end
#
#    0 AMB  25-3:1934     0 AMB  25-1:1934   3.50    (#   1934:25  Double Ambig)
 &rst
  ixpk= 1934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  51,  52,  53, 573, 574, 575,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#    3 VAL  QG2           3 VAL  HA          3.50    (#   1935:25  Preassigned    2.57, 3.26 A)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  28,  29,  30,
 &end
#
#    3 VAL  QG2          42 ALA  HA          4.50    (#   1936:25  Preassigned    2.80, 4.10 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    5 ILE  QG2           7 MET  HB2         5.50    (#   1938:25  Unique         3.38, 5.52 A)
 &rst
  ixpk= 1938, nxpk= 25, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  25-3:1939     0 AMB  25-1:1939   5.50    (#   1939:25  Double Ambig)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  51,  52,  53, 573, 574, 575,
 igr2= 610, 611, 610, 611,
 &end
#
#    5 ILE  QG2           0 AMB  25-1:1940   2.80    (#   1940:25  Single Ambig)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  51,  52,  53,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#   65 LEU  QD+          65 LEU  HA          3.50    (#   1942:25  Preassigned    2.26, 3.88 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#   13 LYS  HG+          13 LYS  HE+         5.50    (#   1943:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 1943, 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    (#   1944:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   65 LEU  QD+          65 LEU  HB3         2.80    (#   1945:25  Preassigned    2.41, 3.41 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:1946     0 AMB  25-1:1946   3.50    (#   1946:25  Double Ambig)
 &rst
  ixpk= 1946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 996, 997, 998,1000,1001,1002, 179, 180,
 igr2= 813, 177,
 &end
#
#   65 LEU  QD+          65 LEU  HB2         3.50    (#   1947:25  Preassigned    2.37, 3.37 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#   13 LYS  HG+          13 LYS  HB2         3.50    (#   1948:25  Preassigned    2.39, 2.66 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 180,
 &end
#
#   41 VAL  QG2          40 ILE  HA          4.50    (#   1949:25  Preassigned    3.62, 4.75 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 629, 630, 631,
 &end
#
#   38 ILE  QD1          39 PRO  HD-         5.50    (#   1950:25  Preassigned    5.93, 6.59 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 580, 581, 582,
 igr2= 587, 588,
 &end
#
#   38 ILE  QD1          36 MET  HG-         5.50    (#   1951:25  Preassigned    4.33, 5.97 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 580, 581, 582,
 igr2= 542, 543,
 &end
#
#   41 VAL  QG2          39 PRO  HB+         4.50    (#   1952:25  Preassigned    4.49, 6.57 A)
 &rst
  ixpk= 1952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 629, 630, 631,
 igr2= 593, 594,
 &end
#
#   41 VAL  QG2          39 PRO  HG+         5.50    (#   1954:25  Preassigned    5.20, 6.88 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 629, 630, 631,
 igr2= 590, 591,
 &end
#
#   41 VAL  QG2          39 PRO  HG-         5.50    (#   1955:25  Preassigned    5.20, 6.88 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 629, 630, 631,
 igr2= 590, 591,
 &end
#
#    0 AMB  25-3:1956    52 LYS  HB3         4.50    (#   1956:25  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 204, 205, 206, 996, 997, 998,1000,1001,1002,
 &end
#
#   41 VAL  QG2          39 PRO  HB-         4.50    (#   1957:25  Preassigned    4.49, 6.57 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 629, 630, 631,
 igr2= 593, 594,
 &end
#
#    0 AMB  25-3:1958     0 AMB  25-1:1958   2.80    (#   1958:25  Double Ambig)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1015,1016,1017,1019,1020,1021, 580, 581, 582, 996,
       997, 998,1000,1001,1002,1015,1016,1017,1019,1020,
      1021, 996, 997, 998,1000,1001,1002,
 igr2= 994, 577, 578,1047,  55,  56,
 &end
#
#   38 ILE  QD1          38 ILE  HG1-        2.80    (#   1959:25  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 580, 581, 582,
 igr2= 577, 578,
 &end
#
#   66 LEU  QD+          22 ILE  HG1-        5.50    (#   1960:25  Preassigned    4.34, 5.88 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2= 321, 322,
 &end
#
#   38 ILE  QD1          38 ILE  HA          4.50    (#   1961:25  Preassigned    3.84, 4.44 A)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   51 VAL  QG2          17 LYS  HA          3.50    (#   1962:25  Preassigned    2.35, 3.18 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 781, 782, 783,
 &end
#
#   51 VAL  QG2          50 GLU  HA          4.50    (#   1963:25  Preassigned    3.45, 4.51 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 781, 782, 783,
 &end
#
#    0 AMB  25-3:1964    50 VAL  HA          2.80    (#   1964:25  Single Ambig)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 781, 782, 783, 996, 997, 998,1000,1001,1002,1015,
      1016,1017,1019,1020,1021,
 &end
#
#   14 VAL  QG2          14 VAL  HA          3.50    (#   1965:25  Preassigned    2.45, 3.15 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 204, 205, 206,
 &end
#
#   14 VAL  QG2          29 ALA  HA          4.50    (#   1966:25  Preassigned    3.76, 4.73 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   38 ILE  QD1          39 PRO  HD+         5.50    (#   1967:25  Preassigned    5.93, 6.59 A)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 580, 581, 582,
 igr2= 587, 588,
 &end
#
#   38 ILE  QD1          33 SER  HB2         4.50    (#   1968:25  Preassigned    3.94, 4.75 A)
 &rst
  ixpk= 1968, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   51 VAL  QG2          18 ALA  HA          4.50    (#   1969:25  Preassigned    3.31, 4.42 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 781, 782, 783,
 &end
#
#   14 VAL  QG2          55 GLU  HA          4.50    (#   1970:25  Preassigned    2.50, 3.94 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   38 ILE  QD1          33 SER  HB3         4.50    (#   1971:25  Preassigned    2.79, 3.68 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   38 ILE  QD1           7 MET  QG          4.50    (#   1972:25  Preassigned    3.71, 5.70 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 580, 581, 582,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-3:1973    47 VAL  HB          4.50    (#   1973:25  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 781, 782, 783,1015,1016,1017,1019,1020,1021,1015,
      1016,1017,1019,1020,1021, 712, 713, 714,
 &end
#
#   14 VAL  QG2          55 GLU  HG+         4.50    (#   1974:25  Preassigned    2.53, 4.72 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206,
 igr2= 860, 861,
 &end
#
#   47 ILE  QD1          21 GLN  HG+         5.50    (#   1975:25  Preassigned    2.38, 3.98 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 712, 713, 714,
 igr2= 301, 302,
 &end
#
#   38 ILE  QD1          36 MET  HB2         4.50    (#   1976:25  Preassigned    2.35, 3.48 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   14 VAL  QG2          14 VAL  HB          2.80    (#   1977:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 204, 205, 206,
 &end
#
#   51 VAL  QG2          51 VAL  HB          2.80    (#   1978:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 781, 782, 783,
 &end
#
#   47 ILE  QD1          21 GLN  QB          4.50    (#   1979:25  Preassigned    2.33, 3.70 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 712, 713, 714,
 igr2= 298, 299,
 &end
#
#   38 ILE  QD1          36 MET  HB3         4.50    (#   1980:25  Preassigned    2.96, 4.06 A)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   14 VAL  QG2          55 GLU  HG-         4.50    (#   1981:25  Preassigned    2.53, 4.72 A)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206,
 igr2= 860, 861,
 &end
#
#   38 ILE  QD1          38 ILE  HB          4.50    (#   1982:25  Preassigned    2.51, 3.01 A)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 580, 581, 582,
 &end
#
#   14 VAL  QG2          55 GLU  QB          5.50    (#   1983:25  Preassigned    4.34, 6.11 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 857, 858,
 &end
#
#   14 VAL  QG2          55 GLU  QB          5.50    (#   1984:25  Preassigned    4.34, 6.11 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 857, 858,
 &end
#
#    0 AMB  25-3:1985     2 VAL  HB          2.80    (#   1985:25  Single Ambig)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   51 VAL  QG2          17 LYS  QB          5.50    (#   1986:25  Preassigned    4.61, 5.48 A)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 781, 782, 783,
 igr2= 247, 248,
 &end
#
#   38 ILE  QD1          31 LEU  HB3         5.50    (#   1987:25  Preassigned    3.96, 4.70 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#    0 AMB  25-3:1988    10 LEU  HB3         4.50    (#   1988:25  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206, 913, 914, 915,
 &end
#
#    0 AMB  25-3:1989    65 LEU  HB2         3.50    (#   1989:25  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 781, 782, 783,
 &end
#
#   47 ILE  QD1          47 ILE  HB          4.50    (#   1990:25  Preassigned    3.81, 3.98 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 712, 713, 714,
 &end
#
#    0 AMB  25-3:1991    65 LEU  HB3         3.50    (#   1991:25  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 781, 782, 783,
 &end
#
#    0 AMB  25-3:1993    65 LEU  HG          3.50    (#   1993:25  Single Ambig)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 237, 238, 239,
 &end
#
#   14 VAL  QG2          29 ALA  QB          2.80    (#   1994:25  Preassigned    2.51, 4.07 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 204, 205, 206,
 igr2= 426, 427, 428,
 &end
#
#   51 VAL  QG2          18 ALA  QB          4.50    (#   1995:25  Preassigned    3.06, 5.64 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 781, 782, 783,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:1996    10 LEU  HG          4.50    (#   1996:25  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915, 204, 205, 206,
 &end
#
#   47 ILE  QD1          47 ILE  HG1-        2.80    (#   1997:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 712, 713, 714,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:1998    47 VAL  QG1         2.80    (#   1998:25  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 781, 782, 783,
 igr2= 724, 725, 726,
 &end
#
#   14 VAL  QG2          11 LEU  QD+         2.80    (#   1999:25  Preassigned    2.23, 4.01 A)
 &rst
  ixpk= 1999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 204, 205, 206,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2000    10 LEU  QD-         2.80    (#   2000:25  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 204, 205, 206, 996, 997, 998,1000,1001,1002,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2001    67 LEU  QD2         2.80    (#   2001:25  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 igr2=1053,1054,1055,
 &end
#
#   41 VAL  QG1          27 GLU  HA          3.50    (#   2002:25  Preassigned    2.04, 3.07 A)
 &rst
  ixpk= 2002, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 625, 626, 627,
 &end
#
#   59 VAL  QG1          59 VAL  HA          3.50    (#   2003:25  Preassigned    2.34, 2.98 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 913, 914, 915,
 &end
#
#   41 VAL  QG1          25 GLY  HA+         4.50    (#   2004:25  Preassigned    3.64, 5.12 A)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 625, 626, 627,
 igr2= 369, 370,
 &end
#
#    0 AMB  25-3:2005    41 ALA  HA          5.50    (#   2005:25  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   41 VAL  QG1          26 GLN  HA          5.50    (#   2006:25  Preassigned    4.11, 5.33 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 625, 626, 627,
 &end
#
#   64 VAL  QG1           2 THR  HB          5.50    (#   2007:25  Preassigned    2.20, 4.78 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1,   8, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 979,
 &end
#
#    0 AMB  25-3:2008     0 AMB  25-1:2008   3.50    (#   2008:25  Double Ambig)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 625, 626, 627, 712, 713, 714,
 igr2= 369, 370, 277, 278,
 &end
#
#   59 VAL  QG1          53 LYS  QE          4.50    (#   2009:25  Preassigned    1.96, 3.68 A)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915,
 igr2= 822, 823,
 &end
#
#   59 VAL  QG1          57 ASP  HB3         5.50    (#   2010:25  Preassigned    3.09, 4.32 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#    0 AMB  25-3:2011    56 ASP  HB2         5.50    (#   2011:25  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 913, 914, 915, 204, 205, 206,
 &end
#
#    0 AMB  25-3:2012    56 ASP  HB2         5.50    (#   2012:25  Single Ambig)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 913, 914, 915, 204, 205, 206,
 &end
#
#    0 AMB  25-3:2013    27 VAL  HB          4.50    (#   2013:25  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 237, 238, 239,1015,1016,1017,1019,1020,1021,1015,
      1016,1017,1019,1020,1021,
 &end
#
#   59 VAL  QG1          59 VAL  HB          2.80    (#   2014:25  Preassigned    2.41, 2.64 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 913, 914, 915,
 &end
#
#   59 VAL  QG1          53 LYS  HD-         5.50    (#   2015:25  Preassigned    2.52, 3.74 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 913, 914, 915,
 igr2= 819, 820,
 &end
#
#   59 VAL  QG1          53 LYS  HD+         4.50    (#   2016:25  Preassigned    2.52, 3.74 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915,
 igr2= 819, 820,
 &end
#
#   59 VAL  QG1          53 LYS  HG+         4.50    (#   2017:25  Preassigned    2.57, 3.89 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915,
 igr2= 816, 817,
 &end
#
#   59 VAL  QG1          11 LEU  HB2         4.50    (#   2018:25  Preassigned    2.33, 3.17 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 913, 914, 915,
 &end
#
#   64 VAL  QG1           2 THR  QG2         4.50    (#   2019:25  Preassigned    2.34, 3.97 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 977, 978, 979,
 igr2=  10,  11,  12,
 &end
#
#   64 VAL  QG1          52 LYS  HG+         3.50    (#   2020:25  Preassigned    2.31, 3.35 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 977, 978, 979,
 igr2= 794, 795,
 &end
#
#   59 VAL  QG1          53 LYS  HG-         4.50    (#   2021:25  Preassigned    2.57, 3.89 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915,
 igr2= 816, 817,
 &end
#
#    0 AMB  25-3:2022    62 ASP  HA          5.50    (#   2022:25  Single Ambig)
 &rst
  ixpk= 2022, nxpk= 25, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 913, 914, 915, 977, 978, 979,
 &end
#
#   64 VAL  QG1          64 VAL  HA          3.50    (#   2023:25  Preassigned    2.40, 3.11 A)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 977, 978, 979,
 &end
#
#    0 AMB  25-3:2024     0 AMB  25-1:2024   4.50    (#   2024:25  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 977, 978, 979, 913, 914, 915,
 igr2= 800, 801, 964,
 &end
#
#   13 LYS  HG-          13 LYS  HE+         5.50    (#   2025:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 2025, 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-         4.50    (#   2026:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   59 VAL  QG1          63 ASP  HB2         5.50    (#   2027:25  Preassigned    4.78, 5.74 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#   64 VAL  QG1          64 VAL  HB          2.80    (#   2028:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 977, 978, 979,
 &end
#
#   13 LYS  HG-          13 LYS  HB2         4.50    (#   2030:25  Preassigned    2.39, 2.66 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    5 ILE  QD1          65 LEU  HA          4.50    (#   2031:25  Preassigned    2.57, 4.45 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   22 ILE  QG2          20 ASP  HB2         5.50    (#   2032:25  Preassigned    5.21, 5.95 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QG2          26 GLN  HB3         5.50    (#   2033:25  Preassigned    4.17, 5.11 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#    5 ILE  QD1           5 ILE  HB          3.50    (#   2034:25  Preassigned    2.43, 3.78 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  58,  59,  60,
 &end
#
#   22 ILE  QG2          22 ILE  HB          2.80    (#   2035:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2036     0 AMB  25-1:2036   2.80    (#   2036:25  Double Ambig)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  58,  59,  60, 613, 614, 615,
 igr2=  55,  56,  55,  56,
 &end
#
#   22 ILE  QG2          22 ILE  HG1-        2.80    (#   2037:25  Preassigned    2.66, 3.62 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 317, 318, 319,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2038     4 ILE  QG2         3.50    (#   2038:25  Single Ambig)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  58,  59,  60, 613, 614, 615,
 igr2=  51,  52,  53,
 &end
#
#   40 ILE  QD1          30 ILE  HA          5.50    (#   2039:25  Preassigned    4.83, 5.36 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 613, 614, 615,
 &end
#
#   65 LEU  QD-          14 VAL  HA          5.50    (#   2040:25  Preassigned    4.13, 5.75 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:2041     4 ILE  HA          4.50    (#   2041:25  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  58,  59,  60, 613, 614, 615,
 &end
#
#   40 ILE  QD1          31 LEU  HB3         4.50    (#   2042:25  Preassigned    2.47, 3.60 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 613, 614, 615,
 &end
#
#    0 AMB  25-3:2043    64 LEU  HB3         3.50    (#   2043:25  Single Ambig)
 &rst
  ixpk= 2043, nxpk= 25, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 996, 997, 998,1000,1001,1002,  58,  59,  60,
 &end
#
#   22 ILE  QG2          66 LEU  HG          5.50    (#   2044:25  Preassigned    4.26, 6.60 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2045    64 LEU  HG          2.80    (#   2045:25  Single Ambig)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  58,  59,  60, 996, 997, 998,1000,1001,1002, 606,
       607, 608,
 &end
#
#    0 AMB  25-3:2046     0 AMB  25-1:2046   2.80    (#   2046:25  Double Ambig)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  58,  59,  60, 613, 614, 615,
 igr2= 610, 611, 610, 611,
 &end
#
#    0 AMB  25-3:2047    30 LEU  HB2         4.50    (#   2047:25  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 613, 614, 615,  58,  59,  60,
 &end
#
#    0 AMB  25-3:2048    39 ILE  HG1-        2.80    (#   2048:25  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  58,  59,  60, 613, 614, 615,
 igr2= 610, 611,
 &end
#
#    0 AMB  25-3:2049    64 LEU  HB2         3.50    (#   2049:25  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  58,  59,  60, 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:2050     4 ILE  HG1-        2.80    (#   2050:25  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  58,  59,  60, 996, 997, 998,1000,1001,1002, 613,
       614, 615,
 igr2=  55,  56,
 &end
#
#   28 VAL  QG1          27 GLU  HA          5.50    (#   2051:25  Preassigned    4.02, 5.63 A)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 412, 413, 414,
 &end
#
#   47 ILE  QG2          19 GLY  HA+         4.50    (#   2053:25  Preassigned    2.59, 4.05 A)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 277, 278,
 &end
#
#    0 AMB  25-3:2054    39 ILE  HA          2.80    (#   2054:25  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 613, 614, 615, 606, 607, 608,
 &end
#
#    0 AMB  25-3:2055    41 ALA  HA          4.50    (#   2055:25  Single Ambig)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002, 606,
       607, 608,
 &end
#
#   65 LEU  QD-          29 ALA  HA          5.50    (#   2056:25  Preassigned    4.44, 5.95 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#   47 ILE  QG2          69 SER  QB          4.50    (#   2057:25  Preassigned    2.72, 4.98 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2=1063,1064,
 &end
#
#   47 ILE  QG2          19 GLY  HA-         4.50    (#   2058:25  Preassigned    2.59, 4.05 A)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 277, 278,
 &end
#
#    0 AMB  25-3:2059    27 VAL  HB          2.80    (#   2059:25  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002, 606,
       607, 608,
 &end
#
#   65 LEU  QD-           3 VAL  HB          4.50    (#   2060:25  Preassigned    3.23, 5.61 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#   47 ILE  QG2          47 ILE  HB          2.80    (#   2061:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 705, 706, 707,
 &end
#
#   40 ILE  QG2          40 ILE  HB          2.80    (#   2062:25  Preassigned    2.39, 2.65 A)
 &rst
  ixpk= 2062, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 606, 607, 608,
 &end
#
#   65 LEU  QD-          29 ALA  QB          2.80    (#   2064:25  Preassigned    2.34, 4.14 A)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 996, 997, 998,1000,1001,1002,
 igr2= 426, 427, 428,
 &end
#
#   28 VAL  QG1           3 VAL  QG2         4.50    (#   2065:25  Preassigned    4.53, 6.96 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 412, 413, 414,
 igr2=  28,  29,  30,
 &end
#
#   59 VAL  QG2           8 ALA  HA          5.50    (#   2066:25  Preassigned    3.84, 5.28 A)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG2          59 VAL  HA          4.50    (#   2067:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 917, 918, 919,
 &end
#
#    0 AMB  25-3:2068    48 LYS  HA          5.50    (#   2068:25  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 705, 706, 707, 724, 725, 726,
 &end
#
#   59 VAL  QG2          53 LYS  QE          5.50    (#   2069:25  Preassigned    5.60, 6.55 A)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 917, 918, 919,
 igr2= 822, 823,
 &end
#
#   22 ILE  QG2          20 ASP  HB2         5.50    (#   2070:25  Preassigned    5.21, 5.95 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   59 VAL  QG2          59 VAL  HB          2.80    (#   2071:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 917, 918, 919,
 &end
#
#   48 VAL  QG1          17 LYS  HG+         5.50    (#   2072:25  Preassigned    5.41, 6.64 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 724, 725, 726,
 igr2= 250, 251,
 &end
#
#   65 LEU  QD-          53 LYS  HG-         5.50    (#   2073:25  Preassigned    2.77, 5.63 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 996, 997, 998,1000,1001,1002,
 igr2= 816, 817,
 &end
#
#    0 AMB  25-3:2074     0 AMB  25-1:2074   5.50    (#   2074:25  Double Ambig)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 724, 725, 726, 138, 139, 140, 142, 143, 144,
 igr2= 245, 833,
 &end
#
#   48 VAL  QG1          50 GLU  HA          5.50    (#   2075:25  Preassigned    3.34, 4.42 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  25-3:2076    10 LEU  HA          3.50    (#   2076:25  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
 &end
#
#   48 VAL  QG1          51 VAL  HA          5.50    (#   2077:25  Preassigned    3.96, 4.43 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#   48 VAL  QG1          48 VAL  HA          3.50    (#   2078:25  Preassigned    2.47, 3.09 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 724, 725, 726,
 &end
#
#   48 VAL  QG1          18 ALA  HA          2.80    (#   2079:25  Preassigned    2.26, 3.46 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 724, 725, 726,
 &end
#
#   11 LEU  QD+          55 GLU  HA          5.50    (#   2080:25  Preassigned    3.89, 5.82 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=  -1, 855, 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  HB3         5.50    (#   2081:25  Preassigned    2.56, 5.59 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   48 VAL  QG1          48 VAL  HB          2.80    (#   2082:25  Preassigned    2.45, 2.68 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 724, 725, 726,
 &end
#
#   11 LEU  QD+          53 LYS  HB3         4.50    (#   2083:25  Preassigned    2.17, 4.09 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1, 814, 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    (#   2084:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2084, 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
#
#   48 VAL  QG1          66 LEU  HB2         4.50    (#   2085:25  Preassigned    2.37, 3.35 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 724, 725, 726,
 &end
#
#   22 ILE  QD1          22 ILE  HB          3.50    (#   2086:25  Preassigned    2.52, 3.23 A)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  25-3:2087    65 LEU  HB3         4.50    (#   2087:25  Single Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 724, 725, 726, 324, 325, 326,
 &end
#
#   22 ILE  QD1          42 ALA  QB          2.80    (#   2088:25  Preassigned    2.23, 3.70 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 324, 325, 326,
 igr2= 639, 640, 641,
 &end
#
#    0 AMB  25-3:2089    10 LEU  HB2         3.50    (#   2089:25  Single Ambig)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
 &end
#
#   11 LEU  QD+          53 LYS  HB2         4.50    (#   2090:25  Preassigned    2.56, 4.26 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   48 VAL  QG1          18 ALA  QB          4.50    (#   2091:25  Preassigned    3.79, 5.68 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 724, 725, 726,
 igr2= 269, 270, 271,
 &end
#
#   22 ILE  QD1          22 ILE  HG1+        2.80    (#   2092:25  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 2092, 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
#
#   22 ILE  QD1          22 ILE  HG1-        2.80    (#   2093:25  Preassigned    2.33, 2.66 A)
 &rst
  ixpk= 2093, 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
#
#    0 AMB  25-3:2094     0 AMB  25-1:2094   3.50    (#   2094:25  Double Ambig)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 324, 325, 326, 724, 725, 726,
 igr2= 233, 234, 235,  24,  25,  26,
 &end
#
#   48 VAL  QG1          51 VAL  QG2         2.80    (#   2095:25  Preassigned    2.26, 3.33 A)
 &rst
  ixpk= 2095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 724, 725, 726,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  25-3:2096     0 AMB  25-1:2096   2.80    (#   2096:25  Double Ambig)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 917, 918, 919, 138, 139, 140, 142, 143, 144, 138,
       139, 140, 142, 143, 144,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2097     0 AMB  25-1:2097   3.50    (#   2097:25  Double Ambig)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 igr2=  55,  56, 994,
 &end
#
#    0 AMB  25-3:2098     0 AMB  25-1:2098   4.50    (#   2098:25  Double Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,1049,1050,1051,
 igr2=  55,  56, 994,1047,
 &end
#
#   68 LEU  QD1          46 GLY  HA+         4.50    (#   2099:25  Preassigned    2.24, 4.42 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1049,1050,1051,
 igr2= 694, 695,
 &end
#
#   68 LEU  QD1          46 GLY  HA-         5.50    (#   2100:25  Preassigned    2.24, 4.42 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051,
 igr2= 694, 695,
 &end
#
#   68 LEU  QD1          44 ARG  QD          4.50    (#   2101:25  Preassigned    2.28, 3.98 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1049,1050,1051,
 igr2= 667, 668,
 &end
#
#   68 LEU  QD1          44 ARG  HB2         5.50    (#   2102:25  Preassigned    4.56, 4.99 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1, 661, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1049,1050,1051,
 &end
#
#   68 LEU  QD1          68 LEU  HB3         4.50    (#   2103:25  Preassigned    2.46, 3.12 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1049,1050,1051,
 &end
#
#   68 LEU  QD1          44 ARG  HG+         5.50    (#   2104:25  Preassigned    2.31, 3.21 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051,
 igr2= 664, 665,
 &end
#
#   68 LEU  QD1          68 LEU  HB2         4.50    (#   2105:25  Preassigned    2.40, 3.05 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1049,1050,1051,
 &end
#
#   31 LEU  HG           33 SER  HB3         5.50    (#   2107:25  Preassigned    4.95, 5.01 A)
 &rst
  ixpk= 2107, nxpk= 25, iat= 458, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HG            7 MET  QG          3.50    (#   2108:25  Preassigned    2.33, 3.38 A)
 &rst
  ixpk= 2108, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  88,  89,
 &end
#
#   31 LEU  HG            7 MET  HB3         5.50    (#   2109:25  Preassigned    3.80, 5.08 A)
 &rst
  ixpk= 2109, nxpk= 25, iat= 458,  86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HG           38 ILE  HB          4.50    (#   2110:25  Preassigned    4.47, 4.53 A)
 &rst
  ixpk= 2110, nxpk= 25, iat= 458, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HG            7 MET  HB2         5.50    (#   2111:25  Preassigned    2.37, 4.46 A)
 &rst
  ixpk= 2111, nxpk= 25, iat= 458,  85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HG           31 LEU  HB3         3.50    (#   2112:25  Preassigned    2.46, 2.48 A)
 &rst
  ixpk= 2112, nxpk= 25, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:2114     0 AMB  25-1:2114   2.80    (#   2114:25  Double Ambig)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 138, 139, 140, 142, 143, 144, 458,
 igr2= 610, 611, 610, 611,
 &end
#
#   31 LEU  HG           38 ILE  QG2         5.50    (#   2115:25  Preassigned    5.70, 6.44 A)
 &rst
  ixpk= 2115, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   31 LEU  HG           38 ILE  QD1         4.50    (#   2116:25  Preassigned    4.67, 5.66 A)
 &rst
  ixpk= 2116, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 580, 581, 582,
 &end
#
#    0 AMB  25-3:2117     7 ALA  HA          5.50    (#   2117:25  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1, 100, 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
#
#   11 LEU  QD-          54 LYS  HA          5.50    (#   2118:25  Preassigned    3.94, 6.49 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          11 LEU  HA          3.50    (#   2119:25  Preassigned    2.12, 3.75 A)
 &rst
  ixpk= 2119, 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
#
#   68 LEU  QD2          46 GLY  HA+         5.50    (#   2120:25  Preassigned    2.60, 4.66 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053,1054,1055,
 igr2= 694, 695,
 &end
#
#    0 AMB  25-3:2121     0 AMB  25-1:2121   4.50    (#   2121:25  Double Ambig)
 &rst
  ixpk= 2121, 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
#
#    0 AMB  25-3:2122     8 GLY  HA-         4.50    (#   2122:25  Single Ambig)
 &rst
  ixpk= 2122, 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
#
#   68 LEU  QD2          48 VAL  HA          3.50    (#   2123:25  Preassigned    1.98, 2.85 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1053,1054,1055,
 &end
#
#   11 LEU  QD-          55 GLU  HA          5.50    (#   2124:25  Preassigned    3.89, 5.82 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2126    58 VAL  HB          5.50    (#   2126:25  Single Ambig)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1, 911, 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
#
#   11 LEU  QD-          53 LYS  HB3         4.50    (#   2127:25  Preassigned    2.17, 4.09 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=  -1, 814, 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    (#   2128:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2128, 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
#
#   68 LEU  QD2          66 LEU  HB2         5.50    (#   2129:25  Preassigned    3.75, 5.13 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   68 LEU  QD2          68 LEU  HB3         4.50    (#   2130:25  Preassigned    2.46, 3.13 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#   68 LEU  QD2          22 ILE  HB          5.50    (#   2131:25  Preassigned    5.14, 6.06 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   68 LEU  QD2          66 LEU  HB3         5.50    (#   2132:25  Preassigned    5.22, 6.39 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   68 LEU  QD2          68 LEU  HB2         4.50    (#   2133:25  Preassigned    3.70, 3.94 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#   11 LEU  QD-          29 ALA  QB          4.50    (#   2134:25  Preassigned    2.21, 4.19 A)
 &rst
  ixpk= 2134, 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
#
#   11 LEU  QD-          11 LEU  HB2         4.50    (#   2135:25  Preassigned    2.35, 3.16 A)
 &rst
  ixpk= 2135, 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
#
#    0 AMB  25-3:2136     0 AMB  25-1:2136   3.50    (#   2136:25  Double Ambig)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,1053,1054,1055,
 igr2=  55,  56, 994,1047,
 &end
#
#   11 LEU  QD-          53 LYS  HB2         4.50    (#   2137:25  Preassigned    2.56, 4.26 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2138    30 LEU  HB2         3.50    (#   2138:25  Single Ambig)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
       464, 465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   68 LEU  QD2          22 ILE  HG1+        4.50    (#   2140:25  Preassigned    2.64, 4.02 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2= 321, 322,
 &end
#
#   11 LEU  QD-          14 VAL  QG1         5.50    (#   2141:25  Preassigned    3.83, 6.07 A)
 &rst
  ixpk= 2141, 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= 200, 201, 202,
 &end
#
#   68 LEU  QD2          22 ILE  HG1-        4.50    (#   2142:25  Preassigned    2.64, 4.02 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2= 321, 322,
 &end
#
#   68 LEU  QD2          16 VAL  QG1         4.50    (#   2143:25  Preassigned    5.21, 6.89 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1053,1054,1055,
 igr2= 233, 234, 235,
 &end
#
#   68 LEU  QD2          48 VAL  QG2         2.80    (#   2144:25  Preassigned    2.69, 4.07 A)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1053,1054,1055,
 igr2= 728, 729, 730,
 &end
#
#    0 AMB  25-3:2145     4 ILE  QG2         3.50    (#   2145:25  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 458, 138, 139, 140, 142, 143, 144,
 igr2=  51,  52,  53,
 &end
#
#   11 LEU  QD-          65 LEU  QD+         3.50    (#   2146:25  Preassigned    2.25, 5.04 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   68 LEU  QD2          66 LEU  QD+         4.50    (#   2147:25  Preassigned    2.30, 4.39 A)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1053,1054,1055,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   68 LEU  QD2          66 LEU  QD-         3.50    (#   2148:25  Preassigned    2.30, 4.39 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1053,1054,1055,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   11 LEU  QD-          14 VAL  QG2         2.80    (#   2149:25  Preassigned    2.23, 4.01 A)
 &rst
  ixpk= 2149, 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
#
#   11 LEU  QD-          59 VAL  QG1         2.80    (#   2150:25  Preassigned    2.35, 4.36 A)
 &rst
  ixpk= 2150, 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= 913, 914, 915,
 &end
#
#    0 AMB  25-3:2151     0 AMB  25-1:2151   2.80    (#   2151:25  Double Ambig)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 138, 139, 140, 142, 143, 144, 458,
 igr2=  58,  59,  60, 613, 614, 615,
 &end
#
#    0 AMB  25-3:2152    58 VAL  QG2         2.80    (#   2152:25  Single Ambig)
 &rst
  ixpk= 2152, 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= 917, 918, 919,
 &end
#
#   68 LEU  QD2          46 GLY  HA-         4.50    (#   2153:25  Preassigned    2.60, 4.66 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1053,1054,1055,
 igr2= 694, 695,
 &end
#
#   49 LYS  HN           68 LEU  HA          4.50    (#   2155:25  Preassigned    1.93, 2.04 A)
 &rst
  ixpk= 2155, nxpk= 25, iat= 734,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HN           32 GLU  HA          4.50    (#   2156:25  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 2156, nxpk= 25, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HN           31 LEU  HA          3.50    (#   2157:25  Preassigned    2.20, 2.21 A)
 &rst
  ixpk= 2157, nxpk= 25, iat= 470, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HN           68 LEU  HA          5.50    (#   2158:25  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=1040,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           41 VAL  HA          4.50    (#   2159:25  Preassigned    2.41, 2.64 A)
 &rst
  ixpk= 2159, nxpk= 25, iat= 406, 621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           68 LEU  HA          2.80    (#   2160:25  Preassigned    2.20, 2.27 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=1059,1042, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 ILE  HN           22 ILE  HA          4.50    (#   2161:25  Preassigned    2.95, 2.97 A)
 &rst
  ixpk= 2161, nxpk= 25, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN            10 ASN  HA          2.80    (#   2162:25  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 2162, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HN           58 PHE  HA          4.50    (#   2163:25  Preassigned    3.77, 3.87 A)
 &rst
  ixpk= 2163, nxpk= 25, iat= 129, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            4 SER  HA          3.50    (#   2164:25  Preassigned    1.92, 2.12 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 987,  36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  HN           66 LEU  HA          4.50    (#   2165:25  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 2165, nxpk= 25, iat= 787,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  HN           16 VAL  HA          2.80    (#   2166:25  Preassigned    2.34, 2.37 A)
 &rst
  ixpk= 2166, nxpk= 25, iat= 243, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HN           31 LEU  HA          4.50    (#   2167:25  Preassigned    2.28, 2.54 A)
 &rst
  ixpk= 2167, nxpk= 25, iat= 148, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2168    40 VAL  HA          3.50    (#   2168:25  Single Ambig)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 635, 619,
 &end
#
#    5 ILE  HN            4 SER  HA          2.80    (#   2169:25  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=  45,  36, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:2170     9 ASN  HA          4.50    (#   2170:25  Single Ambig)
 &rst
  ixpk= 2170, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 907,
 &end
#
#    0 AMB  25-3:2171    57 PHE  HA          2.80    (#   2171:25  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 907, 887,
 &end
#
#   33 SER  HN           32 GLU  HA          2.80    (#   2172:25  Preassigned    2.16, 2.19 A)
 &rst
  ixpk= 2172, nxpk= 25, iat= 485, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 SER  HN           31 LEU  HA          7.00    (#   2173:25  Preassigned    5.91, 5.94 A)
 &rst
  ixpk= 2173, nxpk= 25, iat= 485, 453, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 GLU  HN           66 LEU  HA          2.80    (#   2174:25  Preassigned    2.31, 2.42 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=1025,1008, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 VAL  HN            2 THR  HA          4.50    (#   2175:25  Preassigned    2.20, 2.57 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=  18,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           15 HID  HA          4.50    (#   2176:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 2176, nxpk= 25, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 ILE  HA          2.80    (#   2177:25  Preassigned    2.35, 2.41 A)
 &rst
  ixpk= 2177, nxpk= 25, iat= 330, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 MET  HN           32 GLU  HA          5.50    (#   2178:25  Preassigned    4.27, 4.44 A)
 &rst
  ixpk= 2178, nxpk= 25, iat= 535, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           66 LEU  HA          4.50    (#   2179:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN            4 SER  HA          5.50    (#   2180:25  Preassigned    3.90, 3.95 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=1006,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           68 LEU  HA          5.50    (#   2181:25  Preassigned    3.94, 4.04 A)
 &rst
  ixpk= 2181, nxpk= 25, iat= 756,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HE           58 PHE  HA          5.50    (#   2182:25  Preassigned    5.00, 5.47 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 897, 901,
 &end
#
#   58 PHE  HD            10 ASN  HA          5.50    (#   2183:25  Preassigned    4.55, 5.59 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 903,
 &end
#
#   58 PHE  HD           58 PHE  HA          4.50    (#   2184:25  Preassigned    2.88, 3.62 A)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 903,
 &end
#
#   16 VAL  HN           16 VAL  HA          4.50    (#   2185:25  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 2185, nxpk= 25, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           58 PHE  HA          3.50    (#   2186:25  Preassigned    2.51, 2.52 A)
 &rst
  ixpk= 2186, nxpk= 25, iat= 117, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HA            10 ASN  HA          3.50    (#   2187:25  Preassigned    2.51, 2.52 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 889, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 GLU  HA           32 GLU  HA          3.50    (#   2188:25  Preassigned    2.27, 2.29 A)
 &rst
  ixpk= 2188, nxpk= 25, iat= 554, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HA           41 VAL  HA          3.50    (#   2189:25  Preassigned    2.09, 2.30 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 393, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HA           66 LEU  HA          4.50    (#   2190:25  Preassigned    2.17, 2.34 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 773,1008, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 THR  HB            2 THR  HA          5.50    (#   2191:25  Preassigned    2.50, 2.85 A)
 &rst
  ixpk= 2191, nxpk= 25, iat=   8,   6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            4 SER  HA          5.50    (#   2192:25  Preassigned    4.38, 4.40 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  47,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA            4 SER  HA          2.80    (#   2193:25  Preassigned    2.26, 2.32 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 973,  36, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 SER  QB           68 LEU  HA          5.50    (#   2194:25  Preassigned    4.49, 5.22 A)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   48 VAL  HA           68 LEU  HA          4.50    (#   2195:25  Preassigned    2.52, 2.71 A)
 &rst
  ixpk= 2195, nxpk= 25, iat= 720,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2196     3 SER  HA          3.50    (#   2196:25  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#   15 HID  HB3          15 HID  HA          4.50    (#   2197:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 2197, nxpk= 25, iat= 215, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB2          58 PHE  HA          3.50    (#   2198:25  Preassigned    2.41, 2.45 A)
 &rst
  ixpk= 2198, nxpk= 25, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HB3          58 PHE  HA          4.50    (#   2199:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 2199, nxpk= 25, iat= 892, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HA          4.50    (#   2200:25  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 2200, nxpk= 25, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB2           10 ASN  HA          4.50    (#   2201:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 2201, nxpk= 25, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3          58 PHE  HA          5.50    (#   2202:25  Preassigned    4.32, 4.38 A)
 &rst
  ixpk= 2202, nxpk= 25, iat= 120, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB3           10 ASN  HA          3.50    (#   2203:25  Preassigned    2.61, 2.64 A)
 &rst
  ixpk= 2203, nxpk= 25, iat= 120, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#   2204:25  Preassigned    2.47, 2.49 A)
 &rst
  ixpk= 2204, nxpk= 25, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:2205    21 ILE  HA          4.50    (#   2205:25  Single Ambig)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 378, 337, 338,
 &end
#
#   32 GLU  HB3          32 GLU  HA          4.50    (#   2206:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 2206, nxpk= 25, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2207    21 ILE  HA          5.50    (#   2207:25  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 379, 298, 299,
 &end
#
#   32 GLU  HG-          32 GLU  HA          4.50    (#   2208:25  Preassigned    2.47, 2.87 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#    0 AMB  25-3:2209     3 SER  HA          5.50    (#   2209:25  Single Ambig)
 &rst
  ixpk= 2209, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49, 975,
 &end
#
#   41 VAL  HB           41 VAL  HA          4.50    (#   2210:25  Preassigned    2.39, 2.45 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 623, 621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2211    65 LEU  HA          3.50    (#   2211:25  Single Ambig)
 &rst
  ixpk= 2211, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010, 791,
 &end
#
#   31 LEU  HB3          31 LEU  HA          5.50    (#   2212:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2212, nxpk= 25, iat= 456, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HB3          68 LEU  HA          3.50    (#   2213:25  Preassigned    2.44, 2.50 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=1045,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 ILE  HB           22 ILE  HA          3.50    (#   2214:25  Preassigned    2.36, 2.38 A)
 &rst
  ixpk= 2214, nxpk= 25, iat= 315, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HG+          32 GLU  HA          4.50    (#   2215:25  Preassigned    2.47, 2.87 A)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   66 LEU  HB3          66 LEU  HA          3.50    (#   2216:25  Preassigned    2.38, 2.42 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=1011,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  QB           41 VAL  HA          5.50    (#   2217:25  Preassigned    4.38, 5.01 A)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 639, 640, 641,
 &end
#
#    0 AMB  25-3:2218    65 LEU  HA          4.50    (#   2218:25  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 797, 798,
 &end
#
#   17 LYS  HG-          16 VAL  HA          5.50    (#   2219:25  Preassigned    3.67, 4.51 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#   68 LEU  HB2          68 LEU  HA          3.50    (#   2220:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=1044,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HB2          32 GLU  HA          3.50    (#   2221:25  Preassigned    2.41, 2.46 A)
 &rst
  ixpk= 2221, nxpk= 25, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HB2           10 ASN  HA          5.50    (#   2222:25  Preassigned    4.07, 4.13 A)
 &rst
  ixpk= 2222, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2223     3 SER  HA          5.50    (#   2223:25  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  55,  56, 994,
 &end
#
#   31 LEU  HB2          31 LEU  HA          4.50    (#   2224:25  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 2224, nxpk= 25, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HG-          66 LEU  HA          5.50    (#   2225:25  Preassigned    2.07, 3.06 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#   65 LEU  HB2           4 SER  HA          5.50    (#   2226:25  Preassigned    2.66, 3.02 A)
 &rst
  ixpk= 2226, nxpk= 25, iat= 991,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HG1+         22 ILE  HA          5.50    (#   2227:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#    2 THR  QG2           2 THR  HA          5.50    (#   2228:25  Preassigned    2.36, 3.07 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  10,  11,  12,
 &end
#
#   52 LYS  HG+          66 LEU  HA          5.50    (#   2229:25  Preassigned    2.07, 3.06 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#    0 AMB  25-3:2230    15 VAL  HA          5.50    (#   2230:25  Single Ambig)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202, 777, 778, 779,
 &end
#
#    0 AMB  25-3:2231     3 SER  HA          4.50    (#   2231:25  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  24,  25,  26, 981, 982, 983,
 &end
#
#   16 VAL  QG1          16 VAL  HA          3.50    (#   2232:25  Preassigned    2.38, 3.04 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          22 ILE  HA          5.50    (#   2233:25  Preassigned    5.18, 5.82 A)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          16 VAL  HA          5.50    (#   2234:25  Preassigned    3.85, 5.03 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#    0 AMB  25-3:2235     3 SER  HA          5.50    (#   2235:25  Single Ambig)
 &rst
  ixpk= 2235, 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
#
#    0 AMB  25-3:2236    65 LEU  HA          3.50    (#   2236:25  Single Ambig)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 781, 782, 783,
 &end
#
#   59 VAL  QG1          58 PHE  HA          5.50    (#   2238:25  Preassigned    4.15, 5.23 A)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#    0 AMB  25-3:2239    15 VAL  HA          4.50    (#   2239:25  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 237, 238, 239, 781, 782, 783,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   22 ILE  QG2          22 ILE  HA          2.80    (#   2240:25  Preassigned    2.45, 3.16 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2241    40 VAL  HA          4.50    (#   2241:25  Single Ambig)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 412, 413, 414, 606, 607, 608,
 &end
#
#   59 VAL  QG2           10 ASN  HA          5.50    (#   2242:25  Preassigned    2.40, 3.40 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG2          58 PHE  HA          4.50    (#   2243:25  Preassigned    3.53, 4.53 A)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 917, 918, 919,
 &end
#
#   22 ILE  QD1          22 ILE  HA          4.50    (#   2244:25  Preassigned    4.75, 5.13 A)
 &rst
  ixpk= 2244, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  25-3:2245    67 LEU  HA          5.50    (#   2245:25  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 25, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 724, 725, 726, 324, 325, 326,
 &end
#
#    0 AMB  25-3:2246     9 ASN  HA          5.50    (#   2246:25  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 25, iat=  -1, 117, 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
#
#   68 LEU  QD2          68 LEU  HA          3.50    (#   2247:25  Preassigned    2.19, 3.02 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  25-3:2248    30 LEU  HA          4.50    (#   2248:25  Single Ambig)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1, 453, 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
#
#   31 LEU  HN           31 LEU  HA          5.50    (#   2249:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 2249, nxpk= 25, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2250    38 PRO  HA          5.50    (#   2250:25  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#   30 ILE  HG1-         39 PRO  HA          5.50    (#   2251:25  Preassigned    2.26, 2.93 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   39 PRO  HB-          39 PRO  HA          4.50    (#   2252:25  Preassigned    2.30, 2.54 A)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 594,
 &end
#
#   39 PRO  HG-          39 PRO  HA          5.50    (#   2253:25  Preassigned    2.97, 3.92 A)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 590, 591,
 &end
#
#   39 PRO  HG+          39 PRO  HA          5.50    (#   2254:25  Preassigned    2.97, 3.92 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 590, 591,
 &end
#
#   39 PRO  HB+          39 PRO  HA          4.50    (#   2255:25  Preassigned    2.30, 2.54 A)
 &rst
  ixpk= 2255, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 594,
 &end
#
#   39 PRO  HD+          39 PRO  HA          5.50    (#   2256:25  Preassigned    3.49, 3.80 A)
 &rst
  ixpk= 2256, nxpk= 25, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 587, 588,
 &end
#
#   30 ILE  HA           39 PRO  HA          4.50    (#   2257:25  Preassigned    2.32, 2.45 A)
 &rst
  ixpk= 2257, nxpk= 25, iat= 434, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           39 PRO  HA          5.50    (#   2258:25  Preassigned    3.63, 3.73 A)
 &rst
  ixpk= 2258, nxpk= 25, iat= 451, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           39 PRO  HA          3.50    (#   2259:25  Preassigned    2.23, 2.25 A)
 &rst
  ixpk= 2259, nxpk= 25, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 SER  HB3          33 SER  HA          4.50    (#   2260:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 2260, nxpk= 25, iat= 490, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB2          33 SER  HA          4.50    (#   2261:25  Preassigned    2.57, 2.59 A)
 &rst
  ixpk= 2261, nxpk= 25, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2262    32 SER  HA          5.50    (#   2262:25  Single Ambig)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 498,
 &end
#
#    9 GLY  HA-          33 SER  HA          5.50    (#   2263:25  Preassigned    3.76, 3.94 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   33 SER  HN           33 SER  HA          5.50    (#   2266:25  Preassigned    2.81, 2.83 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HA          4.50    (#   2267:25  Preassigned    2.49, 2.52 A)
 &rst
  ixpk= 2267, nxpk= 25, iat= 496, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HG-          67 GLU  HA          5.50    (#   2268:25  Preassigned    4.73, 5.32 A)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#   67 GLU  HB3          67 GLU  HA          5.50    (#   2269:25  Preassigned    2.40, 2.96 A)
 &rst
  ixpk= 2269, nxpk= 25, iat=1030,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           67 GLU  HA          5.50    (#   2271:25  Preassigned    2.94, 2.97 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HN           67 GLU  HA          3.50    (#   2272:25  Preassigned    2.20, 2.29 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=1040,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASP  HB2          43 ASP  HA          4.50    (#   2273:25  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 2273, nxpk= 25, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HB3          43 ASP  HA          4.50    (#   2274:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 2274, nxpk= 25, iat= 650, 647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           53 LYS  HA          5.50    (#   2275:25  Preassigned    2.91, 2.95 A)
 &rst
  ixpk= 2275, nxpk= 25, iat= 809, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HA          3.50    (#   2276:25  Preassigned    2.46, 2.59 A)
 &rst
  ixpk= 2276, nxpk= 25, iat= 831, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HA           53 LYS  HA          7.00    (#   2277:25  Preassigned    6.74, 6.86 A)
 &rst
  ixpk= 2277, nxpk= 25, iat= 773, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HD-          53 LYS  HA          4.50    (#   2278:25  Preassigned    2.10, 2.69 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 819, 820,
 &end
#
#   53 LYS  HB3          53 LYS  HA          4.50    (#   2279:25  Preassigned    2.48, 2.54 A)
 &rst
  ixpk= 2279, nxpk= 25, iat= 814, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  QD           53 LYS  HA          5.50    (#   2280:25  Preassigned    5.23, 6.05 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 841, 842,
 &end
#
#    0 AMB  25-3:2281    52 LYS  HA          5.50    (#   2281:25  Single Ambig)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 816, 817, 838, 839,
 &end
#
#   53 LYS  HB2          53 LYS  HA          5.50    (#   2282:25  Preassigned    3.05, 3.06 A)
 &rst
  ixpk= 2282, nxpk= 25, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2283    52 LYS  HA          5.50    (#   2283:25  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 777, 778, 779, 200, 201, 202, 794, 795,
 &end
#
#    0 AMB  25-3:2284    59 ASN  HA          2.80    (#   2284:25  Single Ambig)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 937, 923,
 &end
#
#    0 AMB  25-3:2286    59 ASN  HA          5.50    (#   2286:25  Single Ambig)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111,  47,
 &end
#
#   60 ASN  HB+          60 ASN  HA          4.50    (#   2287:25  Preassigned    2.77, 2.87 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 927, 928,
 &end
#
#   60 ASN  HB-          60 ASN  HA          4.50    (#   2288:25  Preassigned    2.77, 2.87 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 927, 928,
 &end
#
#    8 ALA  QB           60 ASN  HA          4.50    (#   2289:25  Preassigned    2.85, 3.90 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   60 ASN  HA            8 ALA  HA          4.50    (#   2291:25  Preassigned    1.89, 1.91 A)
 &rst
  ixpk= 2291, nxpk= 25, iat= 925, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2292    20 GLN  HA          3.50    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 311, 718,
 &end
#
#   45 SER  HB2          45 SER  HA          5.50    (#   2293:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 2293, nxpk= 25, iat= 685, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HB3          45 SER  HA          4.50    (#   2294:25  Preassigned    2.38, 2.42 A)
 &rst
  ixpk= 2294, nxpk= 25, iat= 686, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           48 VAL  HA          5.50    (#   2295:25  Preassigned    3.79, 4.08 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=1059, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2296     4 ILE  HB          5.50    (#   2296:25  Single Ambig)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 963,  71,  72,  68,  69,
 &end
#
#   67 GLU  HB2          49 LYS  HB2         7.00    (#   2297:25  Preassigned    4.53, 6.17 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=1029, 738, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   47 ILE  QD1          21 GLN  HG-         5.50    (#   2298:25  Preassigned    2.38, 3.98 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 712, 713, 714,
 igr2= 301, 302,
 &end
#
#    0 AMB  25-3:2300    46 ILE  QD1         4.50    (#   2300:25  Single Ambig)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 311, 718,
 igr2= 712, 713, 714,
 &end
#
#   47 ILE  HN           47 ILE  QD1         5.50    (#   2301:25  Preassigned    3.74, 4.61 A)
 &rst
  ixpk= 2301, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#    0 AMB  25-3:2302    46 ILE  QD1         4.50    (#   2302:25  Single Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 701, 296,
 igr2= 712, 713, 714,
 &end
#
#   69 SER  QB           47 ILE  QD1         5.50    (#   2303:25  Preassigned    5.66, 6.82 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1063,1064,
 igr2= 712, 713, 714,
 &end
#
#   20 ASP  HA           47 ILE  QD1         5.50    (#   2304:25  Preassigned    4.85, 5.83 A)
 &rst
  ixpk= 2304, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#   21 GLN  HG-          47 ILE  QD1         5.50    (#   2305:25  Preassigned    2.38, 3.98 A)
 &rst
  ixpk= 2305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 712, 713, 714,
 &end
#
#   21 GLN  HG+          47 ILE  QD1         5.50    (#   2306:25  Preassigned    2.38, 3.98 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 712, 713, 714,
 &end
#
#   21 GLN  QB           47 ILE  QD1         4.50    (#   2307:25  Preassigned    2.33, 3.70 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 298, 299,
 igr2= 712, 713, 714,
 &end
#
#   47 ILE  HB           47 ILE  QD1         4.50    (#   2308:25  Preassigned    3.81, 3.98 A)
 &rst
  ixpk= 2308, nxpk= 25, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 712, 713, 714,
 &end
#
#   47 ILE  HG1+         47 ILE  QD1         3.50    (#   2309:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 709, 710,
 igr2= 712, 713, 714,
 &end
#
#   47 ILE  HG1-         47 ILE  QD1         2.80    (#   2310:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 709, 710,
 igr2= 712, 713, 714,
 &end
#
#   47 ILE  QG2          47 ILE  QD1         2.80    (#   2311:25  Preassigned    2.28, 3.74 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 705, 706, 707,
 igr2= 712, 713, 714,
 &end
#
#   50 GLU  HN           48 VAL  HA          5.50    (#   2312:25  Preassigned    3.55, 3.68 A)
 &rst
  ixpk= 2312, nxpk= 25, iat= 756, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HN            9 GLY  HA+         5.50    (#   2313:25  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 2313, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    3 VAL  HB           66 LEU  HB2         5.50    (#   2314:25  Preassigned    4.74, 4.98 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  22,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HB           66 LEU  HB3         5.50    (#   2315:25  Preassigned    4.62, 4.75 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=  22,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HA           53 LYS  QE          5.50    (#   2316:25  Preassigned    4.31, 4.68 A)
 &rst
  ixpk= 2316, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   52 LYS  HG+          52 LYS  HE+         5.50    (#   2317:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 794, 795,
 igr2= 800, 801,
 &end
#
#   63 ASP  HN           63 ASP  HB2         5.50    (#   2318:25  Preassigned    2.43, 2.47 A)
 &rst
  ixpk= 2318, nxpk= 25, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HG-          13 LYS  HB3         4.50    (#   2319:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    7 MET  HA           61 GLU  HG-         4.50    (#   2320:25  Preassigned    3.80, 4.50 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 944, 945,
 &end
#
#   59 VAL  HB            5 ILE  QG2         4.50    (#   2324:25  Preassigned    2.37, 3.52 A)
 &rst
  ixpk= 2324, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#   22 ILE  HG1-         22 ILE  QG2         4.50    (#   2325:25  Preassigned    2.66, 3.62 A)
 &rst
  ixpk= 2325, 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         3.50    (#   2326:25  Preassigned    2.29, 3.48 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 728, 729, 730,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HB           22 ILE  QD1         4.50    (#   2327:25  Preassigned    2.52, 3.23 A)
 &rst
  ixpk= 2327, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 324, 325, 326,
 &end
#
#   38 ILE  QG2          38 ILE  QD1         3.50    (#   2328:25  Preassigned    3.71, 4.70 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 573, 574, 575,
 igr2= 580, 581, 582,
 &end
#
#   26 GLN  HG+          26 GLN  HA          4.50    (#   2329:25  Preassigned    2.47, 2.83 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#    0 AMB  25-3:2330    47 VAL  HA          5.50    (#   2330:25  Single Ambig)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   61 GLU  HB3          61 GLU  HA          4.50    (#   2331:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 2331, nxpk= 25, iat= 942, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 SER  HN            4 SER  HA          4.50    (#   2333:25  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  HB           40 ILE  HG1-        3.50    (#   2334:25  Preassigned    2.37, 2.42 A)
 &rst
  ixpk= 2334, nxpk= 25, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 610, 611,
 &end
#
#   14 VAL  QG2          13 LYS  HA          5.50    (#   2335:25  Preassigned    3.36, 4.57 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   68 LEU  HG           48 VAL  QG1         5.50    (#   2336:25  Unique         4.96, 6.32 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   19 GLY  HN           47 ILE  QD1         5.50    (#   2339:25  Preassigned    5.70, 6.83 A)
 &rst
  ixpk= 2339, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#   21 GLN  HN           47 ILE  QD1         5.50    (#   2340:25  Preassigned    4.23, 5.36 A)
 &rst
  ixpk= 2340, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#   46 GLY  HN           47 ILE  QD1         5.50    (#   2341:25  Preassigned    4.94, 6.33 A)
 &rst
  ixpk= 2341, nxpk= 25, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 712, 713, 714,
 &end
#
#   21 GLN  HE2+         47 ILE  QD1         5.50    (#   2342:25  Preassigned    4.21, 5.99 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 307,
 igr2= 712, 713, 714,
 &end
#
#   46 GLY  HA-          47 ILE  QD1         5.50    (#   2343:25  Preassigned    4.63, 6.10 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 694, 695,
 igr2= 712, 713, 714,
 &end
#
#   19 GLY  HA-          47 ILE  QD1         5.50    (#   2344:25  Preassigned    4.11, 6.21 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 712, 713, 714,
 &end
#
#   14 VAL  HN           30 ILE  QD1         7.00    (#   2348:25  Preassigned    6.30, 7.49 A)
 &rst
  ixpk= 2348, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 445, 446, 447,
 &end
#
#   60 ASN  HN            5 ILE  QD1         5.50    (#   2349:25  Preassigned    3.56, 6.18 A)
 &rst
  ixpk= 2349, nxpk= 25, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#   29 ALA  HA           30 ILE  QD1         5.50    (#   2351:25  Preassigned    5.35, 5.93 A)
 &rst
  ixpk= 2351, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HD+          30 ILE  QD1         5.50    (#   2352:25  Preassigned    5.55, 7.07 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 587, 588,
 igr2= 445, 446, 447,
 &end
#
#   64 VAL  HA            5 ILE  QD1         7.00    (#   2354:25  Preassigned    4.00, 6.34 A)
 &rst
  ixpk= 2354, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    4 SER  HB3           5 ILE  QD1         7.00    (#   2355:25  Preassigned    4.29, 6.19 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    7 MET  QG           40 ILE  QD1         5.50    (#   2356:25  Preassigned    3.49, 5.33 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 613, 614, 615,
 &end
#
#   27 GLU  HG-          30 ILE  QD1         5.50    (#   2357:25  Preassigned    4.36, 5.55 A)
 &rst
  ixpk= 2357, 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
#
#   37 GLU  HN           38 ILE  QD1         5.50    (#   2359:25  Preassigned    3.82, 4.58 A)
 &rst
  ixpk= 2359, nxpk= 25, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#   31 LEU  HB2          38 ILE  QD1         5.50    (#   2360:25  Preassigned    5.54, 6.28 A)
 &rst
  ixpk= 2360, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 580, 581, 582,
 &end
#
#    0 AMB  25-3:2361    21 ILE  QD1         5.50    (#   2361:25  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 367,
 igr2= 324, 325, 326,
 &end
#
#   41 VAL  HA           22 ILE  QD1         7.00    (#   2362:25  Preassigned    5.98, 7.23 A)
 &rst
  ixpk= 2362, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:2365    21 ILE  QD1         5.50    (#   2365:25  Single Ambig)
 &rst
  ixpk= 2365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 694, 695, 686,
 igr2= 324, 325, 326,
 &end
#
#   48 VAL  HA           22 ILE  QD1         5.50    (#   2366:25  Preassigned    4.30, 5.42 A)
 &rst
  ixpk= 2366, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#    6 GLN  HE2-         40 ILE  QG2         5.50    (#   2368:25  Preassigned    2.04, 5.07 A)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  76,  77,
 igr2= 606, 607, 608,
 &end
#
#   68 LEU  HA           47 ILE  QG2         5.50    (#   2369:25  Preassigned    4.83, 6.07 A)
 &rst
  ixpk= 2369, nxpk= 25, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 705, 706, 707,
 &end
#
#   42 ALA  HA           40 ILE  QG2         5.50    (#   2370:25  Preassigned    4.71, 5.99 A)
 &rst
  ixpk= 2370, nxpk= 25, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 606, 607, 608,
 &end
#
#   31 LEU  HB3          38 ILE  QG2         4.50    (#   2372:25  Preassigned    4.14, 5.00 A)
 &rst
  ixpk= 2372, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 573, 574, 575,
 &end
#
#   31 LEU  HB2          38 ILE  QG2         5.50    (#   2373:25  Preassigned    5.61, 6.57 A)
 &rst
  ixpk= 2373, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 573, 574, 575,
 &end
#
#   50 GLU  HN           18 ALA  QB          5.50    (#   2374:25  Preassigned    4.78, 5.76 A)
 &rst
  ixpk= 2374, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   49 LYS  HA           18 ALA  QB          5.50    (#   2375:25  Preassigned    3.97, 5.32 A)
 &rst
  ixpk= 2375, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   51 VAL  HB           18 ALA  QB          7.00    (#   2376:25  Preassigned    4.63, 6.26 A)
 &rst
  ixpk= 2376, nxpk= 25, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 269, 270, 271,
 &end
#
#   20 ASP  HN           22 ILE  QG2         5.50    (#   2379:25  Preassigned    5.76, 6.71 A)
 &rst
  ixpk= 2379, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   15 HID  HN           28 VAL  QG1         5.50    (#   2380:25  Preassigned    4.12, 5.55 A)
 &rst
  ixpk= 2380, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   16 VAL  HN           22 ILE  QG2         7.00    (#   2383:25  Preassigned    5.73, 6.59 A)
 &rst
  ixpk= 2383, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 317, 318, 319,
 &end
#
#   11 LEU  HA           30 ILE  QG2         5.50    (#   2384:25  Preassigned    5.50, 6.58 A)
 &rst
  ixpk= 2384, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   39 PRO  HD-          30 ILE  QG2         5.50    (#   2385:25  Preassigned    4.43, 6.06 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 587, 588,
 igr2= 438, 439, 440,
 &end
#
#   48 VAL  HA           22 ILE  QG2         5.50    (#   2386:25  Preassigned    5.01, 5.97 A)
 &rst
  ixpk= 2386, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   48 VAL  HA           16 VAL  QG2         5.50    (#   2387:25  Preassigned    5.97, 6.93 A)
 &rst
  ixpk= 2387, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   32 GLU  HB3          30 ILE  QG2         5.50    (#   2388:25  Preassigned    5.29, 6.63 A)
 &rst
  ixpk= 2388, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   68 LEU  HG           22 ILE  QG2         7.00    (#   2389:25  Preassigned    6.65, 7.43 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 317, 318, 319,
 &end
#
#   66 LEU  HG           22 ILE  QG2         5.50    (#   2390:25  Preassigned    4.26, 6.60 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HG1+         28 VAL  QG1         5.50    (#   2391:25  Preassigned    4.27, 6.09 A)
 &rst
  ixpk= 2391, 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
#
#   60 ASN  HA            5 ILE  QG2         5.50    (#   2395:25  Preassigned    4.46, 5.29 A)
 &rst
  ixpk= 2395, nxpk= 25, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    4 SER  HA            5 ILE  QG2         5.50    (#   2396:25  Preassigned    6.38, 6.64 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=  36,  -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    (#   2397:25  Preassigned    4.77, 5.71 A)
 &rst
  ixpk= 2397, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2398     4 ILE  QG2         5.50    (#   2398:25  Single Ambig)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  68,  69,  86,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2399    58 VAL  QG2         7.00    (#   2399:25  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  98, 959,
 igr2= 917, 918, 919,
 &end
#
#   22 ILE  HG1+         42 ALA  QB          5.50    (#   2404:25  Preassigned    2.66, 4.05 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2= 639, 640, 641,
 &end
#
#   44 ARG  HG-          42 ALA  QB          4.50    (#   2405:25  Preassigned    4.39, 6.17 A)
 &rst
  ixpk= 2405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 664, 665,
 igr2= 639, 640, 641,
 &end
#
#   25 GLY  HA-          42 ALA  QB          5.50    (#   2406:25  Preassigned    4.42, 5.91 A)
 &rst
  ixpk= 2406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 639, 640, 641,
 &end
#
#   22 ILE  HA           42 ALA  QB          5.50    (#   2407:25  Preassigned    4.48, 5.25 A)
 &rst
  ixpk= 2407, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 639, 640, 641,
 &end
#
#   28 VAL  HN           42 ALA  QB          5.50    (#   2408:25  Preassigned    4.80, 6.41 A)
 &rst
  ixpk= 2408, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 639, 640, 641,
 &end
#
#   22 ILE  HN           42 ALA  QB          5.50    (#   2409:25  Preassigned    5.86, 6.35 A)
 &rst
  ixpk= 2409, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 639, 640, 641,
 &end
#
#    9 GLY  HA+           8 ALA  QB          5.50    (#   2410:25  Preassigned    4.24, 5.20 A)
 &rst
  ixpk= 2410, 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
#
#    0 AMB  25-3:2416    40 VAL  QG1         5.50    (#   2416:25  Single Ambig)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 395, 396, 398, 399,
 igr2= 625, 626, 627,
 &end
#
#   65 LEU  QD-          51 VAL  QG1         4.50    (#   2419:25  Unique         2.84, 5.43 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 996, 997, 998,1000,1001,1002,
 igr2= 777, 778, 779,
 &end
#
#   50 GLU  HN           51 VAL  QG2         5.50    (#   2420:25  Preassigned    4.64, 5.40 A)
 &rst
  ixpk= 2420, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 781, 782, 783,
 &end
#
#   22 ILE  HN           16 VAL  QG1         7.00    (#   2422:25  Preassigned    5.90, 6.64 A)
 &rst
  ixpk= 2422, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2423     0 AMB  25-1:2423   5.50    (#   2423:25  Double Ambig)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 954, 955, 773, 602,
 igr2= 981, 982, 983, 233, 234, 235,  24,  25,  26,
 &end
#
#   26 GLN  HN           28 VAL  QG2         5.50    (#   2427:25  Preassigned    4.81, 6.20 A)
 &rst
  ixpk= 2427, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   14 VAL  HN           29 ALA  QB          5.50    (#   2428:25  Preassigned    5.13, 5.79 A)
 &rst
  ixpk= 2428, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    9 GLY  HN           59 VAL  QG1         5.50    (#   2429:25  Preassigned    5.96, 6.37 A)
 &rst
  ixpk= 2429, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   16 VAL  HA           48 VAL  QG1         5.50    (#   2431:25  Preassigned    4.56, 5.76 A)
 &rst
  ixpk= 2431, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 724, 725, 726,
 &end
#
#   51 VAL  QG2          17 LYS  HG-         5.50    (#   2433:25  Preassigned    5.76, 6.40 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 781, 782, 783,
 igr2= 250, 251,
 &end
#
#   53 LYS  HA           54 LYS  HG-         5.50    (#   2434:25  Preassigned    3.46, 4.45 A)
 &rst
  ixpk= 2434, nxpk= 25, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#   50 GLU  HN           68 LEU  QD2         5.50    (#   2435:25  Preassigned    4.31, 5.72 A)
 &rst
  ixpk= 2435, nxpk= 25, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1053,1054,1055,
 &end
#
#   69 SER  HA           68 LEU  QD2         7.00    (#   2436:25  Preassigned    6.02, 7.01 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1053,1054,1055,
 &end
#
#   53 LYS  QE           53 LYS  HG-         4.50    (#   2437:25  Preassigned    2.40, 2.97 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,
 igr2= 816, 817,
 &end
#
#   53 LYS  HN           53 LYS  HG-         5.50    (#   2438:25  Preassigned    3.27, 3.95 A)
 &rst
  ixpk= 2438, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#   14 VAL  HN           13 LYS  HG+         5.50    (#   2439:25  Preassigned    3.74, 4.53 A)
 &rst
  ixpk= 2439, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   53 LYS  HN           53 LYS  HG-         5.50    (#   2440:25  Preassigned    3.27, 3.95 A)
 &rst
  ixpk= 2440, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#    0 AMB  25-3:2441    12 LYS  HG-         5.50    (#   2441:25  Single Ambig)
 &rst
  ixpk= 2441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 161,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2442     0 AMB  25-1:2442   5.50    (#   2442:25  Double Ambig)
 &rst
  ixpk= 2442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 220, 161,
 igr2= 179, 180, 179, 180,
 &end
#
#   13 LYS  HN           13 LYS  HG-         5.50    (#   2443:25  Preassigned    3.53, 4.02 A)
 &rst
  ixpk= 2443, 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    (#   2444:25  Preassigned    3.74, 4.53 A)
 &rst
  ixpk= 2444, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HE+          13 LYS  HG-         5.50    (#   2446:25  Preassigned    2.43, 2.92 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   30 ILE  HB           13 LYS  HG-         5.50    (#   2447:25  Preassigned    4.07, 4.82 A)
 &rst
  ixpk= 2447, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   49 LYS  HN           49 LYS  HG+         5.50    (#   2448:25  Preassigned    4.31, 4.49 A)
 &rst
  ixpk= 2448, nxpk= 25, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 741, 742,
 &end
#
#   69 SER  QB           49 LYS  HG-         5.50    (#   2449:25  Preassigned    4.41, 6.08 A)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1064,
 igr2= 741, 742,
 &end
#
#   69 SER  QB           49 LYS  HG+         5.50    (#   2450:25  Preassigned    4.41, 6.08 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1064,
 igr2= 741, 742,
 &end
#
#   67 GLU  HN           52 LYS  HG+         5.50    (#   2451:25  Preassigned    3.14, 4.27 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 794, 795,
 &end
#
#   67 GLU  HN           52 LYS  HG-         5.50    (#   2452:25  Preassigned    3.14, 4.27 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 794, 795,
 &end
#
#   52 LYS  HE+          52 LYS  HG+         5.50    (#   2453:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 800, 801,
 igr2= 794, 795,
 &end
#
#   52 LYS  HE+          52 LYS  HG-         5.50    (#   2454:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 800, 801,
 igr2= 794, 795,
 &end
#
#   64 VAL  QG1          52 LYS  HG-         4.50    (#   2455:25  Preassigned    2.31, 3.35 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 977, 978, 979,
 igr2= 794, 795,
 &end
#
#    0 AMB  25-3:2456    43 ARG  HG-         5.50    (#   2456:25  Single Ambig)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 681, 692,
 igr2= 664, 665,
 &end
#
#   34 MET  HA           35 LYS  HG+         5.50    (#   2461:25  Preassigned    3.49, 4.50 A)
 &rst
  ixpk= 2461, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   34 MET  HA           35 LYS  HG-         5.50    (#   2462:25  Preassigned    3.49, 4.50 A)
 &rst
  ixpk= 2462, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#    0 AMB  25-3:2463     0 AMB  25-1:2463   5.50    (#   2463:25  Double Ambig)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 681, 692,
 igr2= 664, 665, 664, 665,
 &end
#
#    0 AMB  25-3:2464     0 AMB  25-1:2464   5.50    (#   2464:25  Double Ambig)
 &rst
  ixpk= 2464, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 451, 868,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    3 VAL  HA           66 LEU  QD-         5.50    (#   2465:25  Preassigned    4.62, 6.31 A)
 &rst
  ixpk= 2465, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  25-3:2466    65 LEU  QD-         5.50    (#   2466:25  Single Ambig)
 &rst
  ixpk= 2466, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=   6,1042,1008,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   51 VAL  HA           66 LEU  QD-         5.50    (#   2468:25  Preassigned    4.33, 5.53 A)
 &rst
  ixpk= 2468, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   30 ILE  HA           40 ILE  HG1+        5.50    (#   2469:25  Preassigned    2.71, 3.43 A)
 &rst
  ixpk= 2469, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   30 ILE  HA           40 ILE  HG1-        5.50    (#   2470:25  Preassigned    2.71, 3.43 A)
 &rst
  ixpk= 2470, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   39 PRO  HA           40 ILE  HG1+        5.50    (#   2471:25  Preassigned    3.69, 4.59 A)
 &rst
  ixpk= 2471, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   39 PRO  HA           40 ILE  HG1-        5.50    (#   2472:25  Preassigned    3.69, 4.59 A)
 &rst
  ixpk= 2472, nxpk= 25, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#   31 LEU  HN           40 ILE  HG1-        5.50    (#   2474:25  Preassigned    2.88, 3.55 A)
 &rst
  ixpk= 2474, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 610, 611,
 &end
#
#    8 ALA  HA           31 LEU  HG          7.00    (#   2475:25  Preassigned    5.48, 5.79 A)
 &rst
  ixpk= 2475, nxpk= 25, iat= 100, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2476     0 AMB  25-1:2476   5.50    (#   2476:25  Double Ambig)
 &rst
  ixpk= 2476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 434, 174,  83, 909,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#    5 ILE  HN           65 LEU  QD-         5.50    (#   2477:25  Preassigned    4.78, 6.50 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:2478     0 AMB  25-1:2478   4.50    (#   2478:25  Double Ambig)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 233, 234, 235,  24,  25,  26,
 igr2=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    3 VAL  QG1          65 LEU  QD-         5.50    (#   2479:25  Preassigned    2.53, 6.12 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  24,  25,  26,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   12 TRP  HN           11 LEU  HG          5.50    (#   2480:25  Preassigned    3.08, 4.19 A)
 &rst
  ixpk= 2480, nxpk= 25, iat= 148, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2481    37 ILE  HG1-        5.50    (#   2481:25  Single Ambig)
 &rst
  ixpk= 2481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 539, 500, 501,
 igr2= 577, 578,
 &end
#
#   36 MET  HB3          38 ILE  HG1-        5.50    (#   2482:25  Preassigned    3.07, 4.02 A)
 &rst
  ixpk= 2482, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 577, 578,
 &end
#
#    0 AMB  25-3:2483     0 AMB  25-1:2483   5.50    (#   2483:25  Double Ambig)
 &rst
  ixpk= 2483, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 451,  64,
 igr2= 442, 443,  55,  56,
 &end
#
#   31 LEU  HN           30 ILE  HG1+        5.50    (#   2484:25  Preassigned    4.06, 4.54 A)
 &rst
  ixpk= 2484, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2485     0 AMB  25-1:2485   5.50    (#   2485:25  Double Ambig)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1059, 406,
 igr2=1047, 994,
 &end
#
#   68 LEU  HN           68 LEU  HG          5.50    (#   2486:25  Preassigned    2.82, 3.00 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          30 ILE  HG1-        5.50    (#   2487:25  Preassigned    3.13, 4.11 A)
 &rst
  ixpk= 2487, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   59 VAL  HB            5 ILE  HG1-        5.50    (#   2488:25  Preassigned    2.19, 2.96 A)
 &rst
  ixpk= 2488, nxpk= 25, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#    4 SER  HA            5 ILE  HG1-        5.50    (#   2489:25  Preassigned    3.57, 4.63 A)
 &rst
  ixpk= 2489, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#   27 GLU  HG-          39 PRO  HG-         5.50    (#   2490:25  Preassigned    4.52, 6.18 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 590, 591,
 &end
#
#   30 ILE  QG2          39 PRO  HG+         5.50    (#   2492:25  Unique         4.92, 7.34 A)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 590, 591,
 &end
#
#   11 LEU  QD-           5 ILE  HG1-        5.50    (#   2493:25  Preassigned    2.23, 4.61 A)
 &rst
  ixpk= 2493, 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=  55,  56,
 &end
#
#    0 AMB  25-3:2494     0 AMB  25-1:2494   5.50    (#   2494:25  Double Ambig)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 600, 619,
 igr2= 590, 591, 590, 591,
 &end
#
#    0 AMB  25-3:2495    38 PRO  HG-         5.50    (#   2495:25  Single Ambig)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 600, 619,
 igr2= 590, 591,
 &end
#
#   14 VAL  HN           13 LYS  HD-         5.50    (#   2496:25  Preassigned    3.69, 4.66 A)
 &rst
  ixpk= 2496, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   60 ASN  HA           61 GLU  HB3         5.50    (#   2497:25  Preassigned    4.72, 4.76 A)
 &rst
  ixpk= 2497, nxpk= 25, iat= 925, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           61 GLU  HB2         5.50    (#   2498:25  Preassigned    4.49, 4.56 A)
 &rst
  ixpk= 2498, nxpk= 25, iat= 925, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HB2         5.50    (#   2499:25  Preassigned    3.98, 4.24 A)
 &rst
  ixpk= 2499, nxpk= 25, iat=  66, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HB3         5.50    (#   2500:25  Preassigned    4.80, 5.19 A)
 &rst
  ixpk= 2500, nxpk= 25, iat=  66, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           49 LYS  HD+         5.50    (#   2501:25  Preassigned    4.12, 5.87 A)
 &rst
  ixpk= 2501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1064,
 igr2= 744, 745,
 &end
#
#   69 SER  QB           49 LYS  HD-         5.50    (#   2502:25  Preassigned    4.12, 5.87 A)
 &rst
  ixpk= 2502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1063,1064,
 igr2= 744, 745,
 &end
#
#   49 LYS  HA           49 LYS  HD-         5.50    (#   2503:25  Preassigned    2.29, 4.43 A)
 &rst
  ixpk= 2503, nxpk= 25, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   47 ILE  QG2          21 GLN  QB          5.50    (#   2505:25  Preassigned    4.24, 6.24 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 705, 706, 707,
 igr2= 298, 299,
 &end
#
#   22 ILE  HA           21 GLN  QB          5.50    (#   2506:25  Preassigned    4.57, 5.32 A)
 &rst
  ixpk= 2506, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   34 MET  HN           34 MET  QB          5.50    (#   2507:25  Preassigned    2.76, 3.60 A)
 &rst
  ixpk= 2507, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   25 GLY  HN           24 LYS  QD          5.50    (#   2508:25  Preassigned    5.20, 5.48 A)
 &rst
  ixpk= 2508, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 355, 356,
 &end
#
#   11 LEU  HA           12 TRP  HB2         5.50    (#   2509:25  Preassigned    4.29, 4.36 A)
 &rst
  ixpk= 2509, nxpk= 25, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           12 TRP  HB3         5.50    (#   2510:25  Preassigned    4.60, 4.67 A)
 &rst
  ixpk= 2510, 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    (#   2511:25  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 2511, nxpk= 25, iat= 470, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           32 GLU  HB2         5.50    (#   2512:25  Preassigned    3.69, 3.93 A)
 &rst
  ixpk= 2512, nxpk= 25, iat= 148, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE3          32 GLU  HB2         7.00    (#   2513:25  Preassigned    5.63, 5.96 A)
 &rst
  ixpk= 2513, nxpk= 25, iat= 167, 474, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HD1          32 GLU  HB3         5.50    (#   2514:25  Preassigned    2.96, 3.38 A)
 &rst
  ixpk= 2514, nxpk= 25, iat= 156, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD2-         32 GLU  HB3         7.00    (#   2515:25  Preassigned    5.74, 6.43 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 124, 125,
 &end
#
#   31 LEU  HA           32 GLU  HB3         5.50    (#   2516:25  Preassigned    4.52, 4.58 A)
 &rst
  ixpk= 2516, nxpk= 25, iat= 453, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HA           32 GLU  HB2         5.50    (#   2517:25  Preassigned    4.52, 4.61 A)
 &rst
  ixpk= 2517, nxpk= 25, iat= 453, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HA           32 GLU  HB2         5.50    (#   2518:25  Preassigned    3.72, 3.98 A)
 &rst
  ixpk= 2518, nxpk= 25, iat= 554, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3          12 TRP  HB3         5.50    (#   2519:25  Preassigned    4.78, 5.17 A)
 &rst
  ixpk= 2519, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HA           51 VAL  HB          5.50    (#   2520:25  Preassigned    3.94, 4.24 A)
 &rst
  ixpk= 2520, nxpk= 25, iat= 245, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          36 MET  HG+         5.50    (#   2521:25  Preassigned    4.33, 5.97 A)
 &rst
  ixpk= 2521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 580, 581, 582,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-3:2522     0 AMB  25-1:2522   5.50    (#   2522:25  Double Ambig)
 &rst
  ixpk= 2522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=   6,1008,
 igr2=1029, 792,
 &end
#
#   68 LEU  HN           67 GLU  HB2         5.50    (#   2524:25  Preassigned    2.70, 4.07 A)
 &rst
  ixpk= 2524, nxpk= 25, iat=1040,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           24 LYS  HB3         5.50    (#   2525:25  Preassigned    4.20, 4.27 A)
 &rst
  ixpk= 2525, nxpk= 25, iat= 367, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           52 LYS  HB3         5.50    (#   2526:25  Preassigned    4.34, 4.43 A)
 &rst
  ixpk= 2526, nxpk= 25, iat= 809, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           15 HID  HB2         5.50    (#   2527:25  Preassigned    4.62, 4.70 A)
 &rst
  ixpk= 2527, nxpk= 25, iat= 196, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           39 PRO  HB+         5.50    (#   2528:25  Preassigned    4.49, 4.84 A)
 &rst
  ixpk= 2528, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 593, 594,
 &end
#
#   15 HID  HN           14 VAL  HB          5.50    (#   2529:25  Preassigned    3.93, 4.02 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 210, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            6 GLN  HG+         5.50    (#   2530:25  Preassigned    3.61, 4.73 A)
 &rst
  ixpk= 2530, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HE2-          6 GLN  HG+         5.50    (#   2531:25  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  76,  77,
 igr2=  71,  72,
 &end
#
#    7 MET  HN            6 GLN  HG-         5.50    (#   2532:25  Preassigned    3.61, 4.73 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#   55 GLU  HN           14 VAL  HB          5.50    (#   2533:25  Preassigned    3.62, 4.03 A)
 &rst
  ixpk= 2533, nxpk= 25, iat= 853, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           14 VAL  HB          5.50    (#   2534:25  Preassigned    4.01, 4.46 A)
 &rst
  ixpk= 2534, nxpk= 25, iat= 227, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           49 LYS  HB2         5.50    (#   2535:25  Preassigned    2.53, 2.91 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1059, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           49 LYS  HB3         5.50    (#   2536:25  Preassigned    3.70, 4.08 A)
 &rst
  ixpk= 2536, nxpk= 25, iat=1059, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HN           21 GLN  HG-         5.50    (#   2537:25  Preassigned    5.00, 6.20 A)
 &rst
  ixpk= 2537, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   68 LEU  HA           49 LYS  HB2         5.50    (#   2538:25  Preassigned    3.00, 3.24 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=1042, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           49 LYS  HB3         5.50    (#   2539:25  Preassigned    3.03, 3.36 A)
 &rst
  ixpk= 2539, nxpk= 25, iat=1042, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HB3         5.50    (#   2540:25  Preassigned    3.72, 4.22 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=1061, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           49 LYS  HB2         5.50    (#   2541:25  Preassigned    4.36, 4.66 A)
 &rst
  ixpk= 2541, nxpk= 25, iat= 720, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           49 LYS  HB3         5.50    (#   2542:25  Preassigned    4.41, 4.59 A)
 &rst
  ixpk= 2542, nxpk= 25, iat= 720, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1           7 MET  HB2         5.50    (#   2546:25  Preassigned    4.73, 6.55 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   32 GLU  HN           32 GLU  HG-         5.50    (#   2547:25  Preassigned    4.35, 4.54 A)
 &rst
  ixpk= 2547, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   38 ILE  HN           37 GLU  HG-         5.50    (#   2548:25  Preassigned    4.29, 4.70 A)
 &rst
  ixpk= 2548, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 559, 560,
 &end
#
#   33 SER  HN           32 GLU  HG-         5.50    (#   2549:25  Preassigned    3.09, 3.40 A)
 &rst
  ixpk= 2549, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:2550    16 LYS  QB          5.50    (#   2550:25  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 229, 212,
 igr2= 247, 248,
 &end
#
#   17 LYS  QE           17 LYS  QB          5.50    (#   2551:25  Preassigned    2.13, 4.21 A)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 247, 248,
 &end
#
#   14 VAL  HA           13 LYS  HB3         5.50    (#   2552:25  Preassigned    4.26, 4.37 A)
 &rst
  ixpk= 2552, nxpk= 25, iat= 196, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           13 LYS  HB2         5.50    (#   2553:25  Preassigned    4.71, 4.82 A)
 &rst
  ixpk= 2553, nxpk= 25, iat= 196, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2554    52 LYS  HB3         5.50    (#   2554:25  Single Ambig)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 131,
 &end
#
#   12 TRP  HD1          13 LYS  HB2         7.00    (#   2555:25  Preassigned    6.57, 6.74 A)
 &rst
  ixpk= 2555, nxpk= 25, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   56 GLY  HN           55 GLU  HG+         5.50    (#   2556:25  Preassigned    4.35, 4.87 A)
 &rst
  ixpk= 2556, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 860, 861,
 &end
#
#   56 GLY  HN           55 GLU  HG-         5.50    (#   2557:25  Preassigned    4.35, 4.87 A)
 &rst
  ixpk= 2557, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 860, 861,
 &end
#
#   28 VAL  HN           40 ILE  HB          5.50    (#   2558:25  Preassigned    3.99, 4.10 A)
 &rst
  ixpk= 2558, nxpk= 25, iat= 406, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2559     0 AMB  25-1:2559   5.50    (#   2559:25  Double Ambig)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 176, 200, 201, 202,
 igr2= 860, 861, 860, 861,
 &end
#
#    0 AMB  25-3:2560     0 AMB  25-1:2560   5.50    (#   2560:25  Double Ambig)
 &rst
  ixpk= 2560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 835, 836, 134,
 igr2= 860, 861, 860, 861,
 &end
#
#    0 AMB  25-3:2562     4 ILE  HB          5.50    (#   2562:25  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39, 954, 955,
 &end
#
#   40 ILE  HN           27 GLU  HG+         5.50    (#   2563:25  Preassigned    2.93, 3.81 A)
 &rst
  ixpk= 2563, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   62 GLY  HN            5 ILE  HB          5.50    (#   2564:25  Preassigned    3.83, 3.99 A)
 &rst
  ixpk= 2564, nxpk= 25, iat= 952,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            5 ILE  HB          5.50    (#   2565:25  Preassigned    3.52, 3.81 A)
 &rst
  ixpk= 2565, nxpk= 25, iat=  81,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HA           27 GLU  HG-         5.50    (#   2566:25  Preassigned    4.24, 4.72 A)
 &rst
  ixpk= 2566, nxpk= 25, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-3:2567     0 AMB  25-1:2567   5.50    (#   2567:25  Double Ambig)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 596, 408,
 igr2= 398, 399, 398, 399,
 &end
#
#    10 ASN  HA           58 PHE  HB2         5.50    (#   2568:25  Preassigned    4.79, 4.85 A)
 &rst
  ixpk= 2568, nxpk= 25, iat= 117, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA           58 PHE  HB3         5.50    (#   2569:25  Preassigned    5.50, 5.52 A)
 &rst
  ixpk= 2569, nxpk= 25, iat= 117, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA-          47 ILE  HB          5.50    (#   2570:25  Preassigned    4.66, 4.90 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   46 GLY  HA+          47 ILE  HB          5.50    (#   2571:25  Preassigned    4.66, 4.90 A)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   16 VAL  HA           20 ASP  HB3         5.50    (#   2572:25  Preassigned    3.30, 3.50 A)
 &rst
  ixpk= 2572, nxpk= 25, iat= 229, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HA           20 ASP  HB2         5.50    (#   2573:25  Preassigned    3.47, 3.63 A)
 &rst
  ixpk= 2573, nxpk= 25, iat= 229, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD2+          10 ASN  HB3         5.50    (#   2574:25  Preassigned    3.57, 3.86 A)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#   12 TRP  HN           11 LEU  HB3         5.50    (#   2575:25  Preassigned    3.59, 4.28 A)
 &rst
  ixpk= 2575, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN            10 ASN  HB3         5.50    (#   2576:25  Preassigned    4.58, 4.65 A)
 &rst
  ixpk= 2576, nxpk= 25, iat= 470, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           11 LEU  HB2         5.50    (#   2577:25  Preassigned    4.47, 4.57 A)
 &rst
  ixpk= 2577, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN            10 ASN  HB2         5.50    (#   2578:25  Preassigned    3.93, 4.12 A)
 &rst
  ixpk= 2578, nxpk= 25, iat= 470, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA           11 LEU  HB3         5.50    (#   2579:25  Preassigned    4.67, 4.90 A)
 &rst
  ixpk= 2579, nxpk= 25, iat= 117, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE1          13 LYS  HE+         5.50    (#   2581:25  Preassigned    5.00, 6.02 A)
 &rst
  ixpk= 2581, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   12 TRP  HE1          13 LYS  HE-         5.50    (#   2582:25  Preassigned    5.00, 6.02 A)
 &rst
  ixpk= 2582, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#    0 AMB  25-3:2583    59 ASN  HB-         5.50    (#   2583:25  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 909, 961,
 igr2= 927, 928,
 &end
#
#   12 TRP  HN           30 ILE  HB          5.50    (#   2585:25  Preassigned    4.05, 4.62 A)
 &rst
  ixpk= 2585, nxpk= 25, iat= 148, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           30 ILE  HB          5.50    (#   2586:25  Preassigned    4.44, 4.48 A)
 &rst
  ixpk= 2586, nxpk= 25, iat= 424, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HN           53 LYS  QE          5.50    (#   2588:25  Preassigned    4.25, 4.99 A)
 &rst
  ixpk= 2588, nxpk= 25, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   54 LYS  HN           53 LYS  QE          7.00    (#   2589:25  Preassigned    5.93, 6.06 A)
 &rst
  ixpk= 2589, nxpk= 25, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 822, 823,
 &end
#
#   68 LEU  HN           68 LEU  HB2         5.50    (#   2591:25  Preassigned    2.45, 2.55 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1040,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          68 LEU  HB2         5.50    (#   2592:25  Preassigned    4.04, 5.18 A)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   46 GLY  HA+          68 LEU  HB3         5.50    (#   2595:25  Preassigned    2.68, 3.73 A)
 &rst
  ixpk= 2595, nxpk= 25, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   46 GLY  HA-          68 LEU  HB2         5.50    (#   2597:25  Preassigned    4.04, 5.18 A)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   48 VAL  HA           68 LEU  HB2         5.50    (#   2598:25  Preassigned    5.24, 5.35 A)
 &rst
  ixpk= 2598, nxpk= 25, iat= 720,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2599    67 LEU  HB2         5.50    (#   2599:25  Single Ambig)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 699,1025,
 &end
#
#   41 VAL  HB           25 GLY  HA+         5.50    (#   2600:25  Preassigned    2.41, 3.33 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   24 LYS  QG           25 GLY  HA-         5.50    (#   2601:25  Preassigned    3.58, 4.39 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   18 ALA  QB           19 GLY  HA-         5.50    (#   2602:25  Preassigned    4.53, 5.31 A)
 &rst
  ixpk= 2602, 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
#
#   48 VAL  HB           19 GLY  HA-         5.50    (#   2603:25  Preassigned    4.42, 4.92 A)
 &rst
  ixpk= 2603, nxpk= 25, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#    10 ASN  HA            9 GLY  HA+         5.50    (#   2604:25  Preassigned    4.43, 4.56 A)
 &rst
  ixpk= 2604, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    10 ASN  HA            9 GLY  HA-         5.50    (#   2607:25  Preassigned    4.43, 4.56 A)
 &rst
  ixpk= 2607, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   58 PHE  HD            9 GLY  HA-         5.50    (#   2609:25  Preassigned    5.05, 7.13 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 895, 903,
 igr2= 110, 111,
 &end
#
#   69 SER  HN           46 GLY  HA+         5.50    (#   2610:25  Preassigned    3.58, 5.02 A)
 &rst
  ixpk= 2610, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#   32 GLU  HN            9 GLY  HA+         5.50    (#   2611:25  Preassigned    4.11, 4.87 A)
 &rst
  ixpk= 2611, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   32 GLU  HN            9 GLY  HA-         5.50    (#   2612:25  Preassigned    4.11, 4.87 A)
 &rst
  ixpk= 2612, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    8 ALA  HA            9 GLY  HA+         5.50    (#   2613:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 2613, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   69 SER  HN           46 GLY  HA-         5.50    (#   2614:25  Preassigned    3.58, 5.02 A)
 &rst
  ixpk= 2614, nxpk= 25, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    0 AMB  25-3:2615    30 LEU  HB3         5.50    (#   2615:25  Single Ambig)
 &rst
  ixpk= 2615, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 600,
 &end
#
#    0 AMB  25-3:2616    30 LEU  HB2         5.50    (#   2616:25  Single Ambig)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 600,
 &end
#
#   30 ILE  HA           31 LEU  HB3         5.50    (#   2617:25  Preassigned    4.10, 4.16 A)
 &rst
  ixpk= 2617, nxpk= 25, iat= 434, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2618    30 LEU  HB3         5.50    (#   2618:25  Single Ambig)
 &rst
  ixpk= 2618, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 602,
 &end
#
#   30 ILE  HA           31 LEU  HB2         5.50    (#   2619:25  Preassigned    4.23, 4.31 A)
 &rst
  ixpk= 2619, nxpk= 25, iat= 434, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           31 LEU  HB2         5.50    (#   2620:25  Preassigned    3.62, 3.91 A)
 &rst
  ixpk= 2620, nxpk= 25, iat= 131, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            8 ALA  HA          5.50    (#   2622:25  Preassigned    4.59, 4.71 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  81, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1+         39 PRO  HD-         5.50    (#   2623:25  Preassigned    4.22, 5.05 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 577, 578,
 igr2= 587, 588,
 &end
#
#   38 ILE  HG1-         39 PRO  HD-         5.50    (#   2624:25  Preassigned    4.22, 5.05 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 577, 578,
 igr2= 587, 588,
 &end
#
#   13 LYS  HB3          29 ALA  HA          5.50    (#   2625:25  Preassigned    4.72, 4.91 A)
 &rst
  ixpk= 2625, nxpk= 25, iat= 177, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2626    38 PRO  HD-         5.50    (#   2626:25  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 438, 439, 440, 445, 446, 447,
 igr2= 587, 588,
 &end
#
#   15 HID  HB2          29 ALA  HA          5.50    (#   2627:25  Preassigned    4.39, 4.55 A)
 &rst
  ixpk= 2627, nxpk= 25, iat= 214, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2628    28 ALA  HA          5.50    (#   2628:25  Single Ambig)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 395, 396,
 &end
#
#   15 HID  HA           29 ALA  HA          5.50    (#   2629:25  Preassigned    5.34, 5.46 A)
 &rst
  ixpk= 2629, nxpk= 25, iat= 212, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           29 ALA  HA          5.50    (#   2631:25  Preassigned    4.54, 4.64 A)
 &rst
  ixpk= 2631, nxpk= 25, iat= 172, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           29 ALA  HA          5.50    (#   2632:25  Preassigned    4.81, 4.86 A)
 &rst
  ixpk= 2632, nxpk= 25, iat= 600, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           29 ALA  HA          5.50    (#   2633:25  Preassigned    4.37, 4.46 A)
 &rst
  ixpk= 2633, nxpk= 25, iat= 406, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           29 ALA  HA          5.50    (#   2634:25  Preassigned    4.51, 4.56 A)
 &rst
  ixpk= 2634, nxpk= 25, iat= 194, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           39 PRO  HD-         5.50    (#   2635:25  Preassigned    5.43, 5.58 A)
 &rst
  ixpk= 2635, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   38 ILE  HN           39 PRO  HD-         5.50    (#   2636:25  Preassigned    4.46, 4.81 A)
 &rst
  ixpk= 2636, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   11 LEU  HA            10 ASN  HA          5.50    (#   2638:25  Preassigned    4.26, 4.29 A)
 &rst
  ixpk= 2638, nxpk= 25, iat= 131, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2639     9 ASN  HA          5.50    (#   2639:25  Single Ambig)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 891, 152,
 &end
#
#   58 PHE  HB3           10 ASN  HA          5.50    (#   2640:25  Preassigned    5.50, 5.52 A)
 &rst
  ixpk= 2640, nxpk= 25, iat= 892, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA+           10 ASN  HA          5.50    (#   2641:25  Preassigned    4.43, 4.56 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   11 LEU  HB3           10 ASN  HA          5.50    (#   2642:25  Preassigned    4.67, 4.90 A)
 &rst
  ixpk= 2642, nxpk= 25, iat= 134, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG            10 ASN  HA          7.00    (#   2643:25  Preassigned    4.28, 6.21 A)
 &rst
  ixpk= 2643, nxpk= 25, iat= 136, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  QG1           10 ASN  HA          5.50    (#   2644:25  Preassigned    4.18, 5.17 A)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#   32 GLU  HB3           10 ASN  HA          5.50    (#   2645:25  Preassigned    5.11, 5.26 A)
 &rst
  ixpk= 2645, nxpk= 25, iat= 475, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD2-          10 ASN  HA          5.50    (#   2646:25  Preassigned    2.28, 2.99 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#   48 VAL  HA           66 LEU  HA          7.00    (#   2647:25  Preassigned    6.35, 6.45 A)
 &rst
  ixpk= 2647, nxpk= 25, iat= 720,1008, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   52 LYS  HB3          66 LEU  HA          5.50    (#   2648:25  Preassigned    4.40, 4.94 A)
 &rst
  ixpk= 2648, nxpk= 25, iat= 792,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2649    41 ALA  HA          5.50    (#   2649:25  Single Ambig)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  22, 623,
 &end
#
#   48 VAL  QG1          66 LEU  HA          5.50    (#   2650:25  Preassigned    4.56, 5.39 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#   50 GLU  HN           66 LEU  HA          5.50    (#   2651:25  Preassigned    4.73, 4.90 A)
 &rst
  ixpk= 2651, nxpk= 25, iat= 756,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           66 LEU  HA          5.50    (#   2652:25  Preassigned    4.65, 4.93 A)
 &rst
  ixpk= 2652, nxpk= 25, iat= 809,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           66 LEU  HA          5.50    (#   2653:25  Preassigned    4.40, 4.61 A)
 &rst
  ixpk= 2653, nxpk= 25, iat= 987,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           66 LEU  HA          5.50    (#   2654:25  Preassigned    4.70, 4.87 A)
 &rst
  ixpk= 2654, nxpk= 25, iat= 771,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2655    67 LEU  HA          5.50    (#   2655:25  Single Ambig)
 &rst
  ixpk= 2655, nxpk= 25, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 699,1025,
 &end
#
#   48 VAL  QG2          68 LEU  HA          5.50    (#   2656:25  Preassigned    4.60, 5.58 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#    0 AMB  25-3:2658     0 AMB  25-1:2658   4.50    (#   2658:25  Double Ambig)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 200, 201, 202, 777, 778, 779,
 igr2= 833, 245,
 &end
#
#   44 ARG  QD           44 ARG  HA          5.50    (#   2659:25  Preassigned    4.08, 5.16 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#    0 AMB  25-3:2660     0 AMB  25-1:2660   5.50    (#   2660:25  Double Ambig)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 685, 110, 111,
 igr2= 659,  83,
 &end
#
#    0 AMB  25-3:2664    19 ASP  HA          5.50    (#   2664:25  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 722, 231, 301, 302,
 &end
#
#   47 ILE  QG2          20 ASP  HA          5.50    (#   2665:25  Preassigned    4.82, 5.97 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 705, 706, 707,
 &end
#
#    10 ASN  HA           11 LEU  HA          5.50    (#   2667:25  Preassigned    4.26, 4.29 A)
 &rst
  ixpk= 2667, nxpk= 25, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HA           50 GLU  HA          5.50    (#   2668:25  Preassigned    3.36, 3.57 A)
 &rst
  ixpk= 2668, nxpk= 25, iat= 267, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           50 GLU  HA          5.50    (#   2671:25  Preassigned    4.81, 4.93 A)
 &rst
  ixpk= 2671, nxpk= 25, iat= 734, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HG-          52 LYS  HA          5.50    (#   2672:25  Preassigned    3.58, 4.79 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 763, 764,
 &end
#
#   52 LYS  HE-          52 LYS  HA          5.50    (#   2673:25  Preassigned    2.49, 4.25 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 800, 801,
 &end
#
#   64 VAL  QG1           4 SER  HA          5.50    (#   2675:25  Preassigned    3.82, 4.73 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 979,
 &end
#
#   65 LEU  HB3           4 SER  HA          5.50    (#   2677:25  Preassigned    2.92, 3.20 A)
 &rst
  ixpk= 2677, nxpk= 25, iat= 992,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-          4 SER  HA          5.50    (#   2678:25  Preassigned    3.57, 4.63 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#   49 LYS  HN           69 SER  HA          5.50    (#   2684:25  Preassigned    4.36, 4.93 A)
 &rst
  ixpk= 2684, nxpk= 25, iat= 734,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE2+         22 ILE  HA          5.50    (#   2685:25  Preassigned    2.24, 3.61 A)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   23 GLU  HB3          22 ILE  HA          5.50    (#   2688:25  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 2688, nxpk= 25, iat= 335, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HD-          69 SER  HA          5.50    (#   2689:25  Preassigned    2.31, 3.77 A)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744, 745,
 &end
#
#    9 GLY  HN           59 VAL  HA          5.50    (#   2691:25  Preassigned    4.88, 4.97 A)
 &rst
  ixpk= 2691, nxpk= 25, iat= 108, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2692    58 VAL  HA          5.50    (#   2692:25  Single Ambig)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 932, 933, 959,
 &end
#
#    0 AMB  25-3:2694    39 ILE  HA          5.50    (#   2694:25  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   39 PRO  HA           40 ILE  HA          5.50    (#   2695:25  Preassigned    4.51, 4.53 A)
 &rst
  ixpk= 2695, nxpk= 25, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          30 ILE  HA          5.50    (#   2696:25  Preassigned    4.49, 4.84 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 593, 594,
 &end
#
#   14 VAL  HA           30 ILE  HA          7.00    (#   2697:25  Preassigned    6.36, 6.41 A)
 &rst
  ixpk= 2697, nxpk= 25, iat= 196, 434, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   31 LEU  HA           30 ILE  HA          5.50    (#   2698:25  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 2698, nxpk= 25, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2702    50 VAL  HA          5.50    (#   2702:25  Single Ambig)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 797, 798,1013, 816, 817,
 &end
#
#    0 AMB  25-3:2703    13 VAL  HA          5.50    (#   2703:25  Single Ambig)
 &rst
  ixpk= 2703, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235, 445, 446, 447,
 &end
#
#   11 LEU  QD+          14 VAL  HA          5.50    (#   2704:25  Preassigned    4.00, 5.67 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   15 HID  HB2          14 VAL  HA          5.50    (#   2705:25  Preassigned    4.62, 4.70 A)
 &rst
  ixpk= 2705, nxpk= 25, iat= 214, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           14 VAL  HA          5.50    (#   2706:25  Preassigned    4.42, 4.44 A)
 &rst
  ixpk= 2706, nxpk= 25, iat= 212, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           14 VAL  HA          5.50    (#   2707:25  Preassigned    4.73, 4.80 A)
 &rst
  ixpk= 2707, nxpk= 25, iat= 422, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HB3         5.50    (#   2708:25  Preassigned    4.98, 5.04 A)
 &rst
  ixpk= 2708, nxpk= 25, iat= 535, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           33 SER  HB3         5.50    (#   2709:25  Preassigned    4.80, 4.88 A)
 &rst
  ixpk= 2709, nxpk= 25, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG           33 SER  HB3         5.50    (#   2710:25  Preassigned    3.92, 4.67 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#   36 MET  HB2          33 SER  HB3         5.50    (#   2711:25  Preassigned    5.05, 5.33 A)
 &rst
  ixpk= 2711, nxpk= 25, iat= 539, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           48 VAL  HA          5.50    (#   2719:25  Preassigned    4.40, 4.45 A)
 &rst
  ixpk= 2719, nxpk= 25, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HB2          45 SER  HB3         5.50    (#   2722:25  Preassigned    5.10, 5.23 A)
 &rst
  ixpk= 2722, nxpk= 25, iat= 349, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HG+          45 SER  HB2         5.50    (#   2725:25  Preassigned    5.15, 6.11 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 664, 665,
 &end
#
#    0 AMB  25-3:2726    44 SER  HB2         5.50    (#   2726:25  Single Ambig)
 &rst
  ixpk= 2726, nxpk= 25, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 350, 662, 355, 356,
 &end
#
#   23 GLU  HB2          45 SER  HB2         5.50    (#   2727:25  Preassigned    5.53, 5.54 A)
 &rst
  ixpk= 2727, nxpk= 25, iat= 334, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HB2          45 SER  HB3         5.50    (#   2728:25  Preassigned    3.90, 3.93 A)
 &rst
  ixpk= 2728, nxpk= 25, iat= 334, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  QG1           4 SER  HB3         5.50    (#   2729:25  Preassigned    4.66, 5.78 A)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 979,
 &end
#
#   64 VAL  QG1           4 SER  HB2         5.50    (#   2730:25  Preassigned    5.18, 6.45 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 977, 978, 979,
 &end
#
#    0 AMB  25-3:2731     0 AMB  25-1:2731   5.50    (#   2731:25  Double Ambig)
 &rst
  ixpk= 2731, 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=  39,  38,
 &end
#
#    0 AMB  25-3:2732     0 AMB  25-1:2732   5.50    (#   2732:25  Double Ambig)
 &rst
  ixpk= 2732, 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=  39,  38,
 &end
#
#   53 LYS  HG-          53 LYS  QE          4.50    (#   2736:25  Preassigned    2.40, 2.97 A)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 816, 817,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2737    51 LYS  HE-         5.50    (#   2737:25  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1030, 761,
 igr2= 800, 801,
 &end
#
#   52 LYS  HG+          52 LYS  HE-         4.50    (#   2738:25  Preassigned    2.26, 3.02 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 794, 795,
 igr2= 800, 801,
 &end
#
#    0 AMB  25-3:2739     0 AMB  25-1:2739   5.50    (#   2739:25  Double Ambig)
 &rst
  ixpk= 2739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 760, 763, 764,
 igr2= 747, 748, 800, 801,
 &end
#
#   11 LEU  HB3          11 LEU  HG          4.50    (#   2740:25  Preassigned    2.50, 2.60 A)
 &rst
  ixpk= 2740, nxpk= 25, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           43 ASP  HB3         5.50    (#   2741:25  Preassigned    2.99, 3.11 A)
 &rst
  ixpk= 2741, nxpk= 25, iat= 657, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HB2         5.50    (#   2742:25  Preassigned    3.87, 3.93 A)
 &rst
  ixpk= 2742, nxpk= 25, iat= 496, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           32 GLU  HA          5.50    (#   2743:25  Preassigned    3.64, 3.70 A)
 &rst
  ixpk= 2743, nxpk= 25, iat= 567, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE2+         26 GLN  HA          5.50    (#   2744:25  Preassigned    4.55, 5.31 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#    8 ALA  QB            9 GLY  HA-         5.50    (#   2745:25  Preassigned    4.24, 5.20 A)
 &rst
  ixpk= 2745, 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
#
#   42 ALA  QB           24 LYS  HA          4.50    (#   2747:25  Preassigned    2.62, 3.58 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 639, 640, 641,
 &end
#
#   36 MET  HN           34 MET  HA          5.50    (#   2748:25  Preassigned    4.52, 4.56 A)
 &rst
  ixpk= 2748, nxpk= 25, iat= 535, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           34 MET  HA          7.00    (#   2750:25  Preassigned    5.62, 5.67 A)
 &rst
  ixpk= 2750, nxpk= 25, iat= 485, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 ALA  HN           41 VAL  HA          5.50    (#   2751:25  Preassigned    3.91, 4.00 A)
 &rst
  ixpk= 2751, nxpk= 25, iat= 422, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HA           19 GLY  HA-         4.50    (#   2752:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 2752, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 277, 278,
 &end
#
#   44 ARG  HN           24 LYS  QG          5.50    (#   2760:25  Preassigned    3.94, 4.96 A)
 &rst
  ixpk= 2760, nxpk= 25, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 352, 353,
 &end
#
#   43 ASP  HN            3 VAL  QG2         5.50    (#   2765:25  Preassigned    2.41, 3.44 A)
 &rst
  ixpk= 2765, nxpk= 25, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2766     0 AMB  25-1:2766   4.50    (#   2766:25  Double Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 571,  49,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2767     0 AMB  25-1:2767   5.50    (#   2767:25  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 134, 456,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   11 LEU  HN           55 GLU  HA          5.50    (#   2768:25  Preassigned    5.16, 5.45 A)
 &rst
  ixpk= 2768, nxpk= 25, iat= 129, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           20 ASP  HB2         5.50    (#   2770:25  Preassigned    2.17, 2.42 A)
 &rst
  ixpk= 2770, nxpk= 25, iat= 243, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG1          28 VAL  HA          4.50    (#   2781:25  Preassigned    2.38, 3.19 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2782    27 VAL  HA          5.50    (#   2782:25  Single Ambig)
 &rst
  ixpk= 2782, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 237, 238, 239,1015,1016,1017,1019,1020,1021,1015,
      1016,1017,1019,1020,1021,
 &end
#
#   28 VAL  QG2          28 VAL  HA          4.50    (#   2783:25  Preassigned    2.37, 3.52 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   16 VAL  QG1          28 VAL  HA          4.50    (#   2784:25  Preassigned    2.46, 3.73 A)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   28 VAL  HB           28 VAL  HA          4.50    (#   2785:25  Preassigned    2.53, 2.76 A)
 &rst
  ixpk= 2785, nxpk= 25, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          28 VAL  HA          5.50    (#   2786:25  Preassigned    2.31, 2.79 A)
 &rst
  ixpk= 2786, 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    (#   2787:25  Preassigned    4.00, 4.51 A)
 &rst
  ixpk= 2787, nxpk= 25, iat= 215, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HA           28 VAL  HA          7.00    (#   2788:25  Preassigned    6.61, 6.90 A)
 &rst
  ixpk= 2788, nxpk= 25, iat= 376, 408, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 GLU  HA           28 VAL  HA          4.50    (#   2789:25  Preassigned    4.44, 4.48 A)
 &rst
  ixpk= 2789, nxpk= 25, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HA           28 VAL  HA          5.50    (#   2790:25  Preassigned    5.00, 5.31 A)
 &rst
  ixpk= 2790, nxpk= 25, iat= 229, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          28 VAL  HA          5.50    (#   2791:25  Preassigned    2.58, 2.95 A)
 &rst
  ixpk= 2791, nxpk= 25, iat= 223, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE2+         28 VAL  HA          5.50    (#   2792:25  Preassigned    2.97, 4.23 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   29 ALA  HN           28 VAL  HA          5.50    (#   2793:25  Preassigned    3.51, 3.57 A)
 &rst
  ixpk= 2793, 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    (#   2794:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 2794, nxpk= 25, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           37 GLU  HA          2.80    (#   2795:25  Preassigned    2.22, 2.23 A)
 &rst
  ixpk= 2795, nxpk= 25, iat= 567, 554, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 LEU  HN           37 GLU  HA          5.50    (#   2796:25  Preassigned    4.41, 4.46 A)
 &rst
  ixpk= 2796, nxpk= 25, iat= 451, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           37 GLU  HA          5.50    (#   2797:25  Preassigned    3.36, 3.44 A)
 &rst
  ixpk= 2797, nxpk= 25, iat= 485, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           37 GLU  HA          4.50    (#   2798:25  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 2798, nxpk= 25, iat= 552, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           37 GLU  HA          4.50    (#   2799:25  Preassigned    2.27, 2.29 A)
 &rst
  ixpk= 2799, nxpk= 25, iat= 472, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HG+          37 GLU  HA          5.50    (#   2800:25  Preassigned    2.47, 3.05 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 560,
 &end
#
#    0 AMB  25-3:2801    36 GLU  HA          4.50    (#   2801:25  Single Ambig)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 556, 571,
 &end
#
#   37 GLU  HB3          37 GLU  HA          4.50    (#   2802:25  Preassigned    2.43, 2.44 A)
 &rst
  ixpk= 2802, nxpk= 25, iat= 557, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HG-          37 GLU  HA          4.50    (#   2803:25  Preassigned    2.47, 3.05 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   30 ILE  QG2          37 GLU  HA          4.50    (#   2804:25  Preassigned    3.84, 4.28 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   58 PHE  HN           57 ASP  HB2         4.50    (#   2805:25  Preassigned    3.87, 3.98 A)
 &rst
  ixpk= 2805, nxpk= 25, iat= 887, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2806     0 AMB  25-1:2806   5.50    (#   2806:25  Double Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 739, 797, 798,
 igr2=1032,1033,1032,1033,
 &end
#
#   12 TRP  HZ3          30 ILE  QD1         5.50    (#   2809:25  Preassigned    2.53, 3.21 A)
 &rst
  ixpk= 2809, nxpk= 25, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   51 VAL  HN           50 GLU  HG-         5.50    (#   2810:25  Preassigned    1.93, 2.69 A)
 &rst
  ixpk= 2810, nxpk= 25, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#   62 GLY  HN            4 SER  HB2         5.50    (#   2811:25  Preassigned    4.07, 4.38 A)
 &rst
  ixpk= 2811, nxpk= 25, iat= 952,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HA           17 LYS  HG-         5.50    (#   2813:25  Preassigned    3.67, 4.51 A)
 &rst
  ixpk= 2813, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   48 VAL  QG1          16 VAL  HB          5.50    (#   2848:25  Preassigned    2.32, 3.48 A)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  25-3:2849    15 VAL  HB          2.80    (#   2849:25  Single Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 237, 238, 239, 781, 782, 783,1015,1016,1017,1019,
      1020,1021,1015,1016,1017,1019,1020,1021,
 &end
#
#   48 VAL  QG2          16 VAL  HB          4.50    (#   2850:25  Preassigned    2.21, 3.35 A)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 728, 729, 730,
 &end
#
#   16 VAL  QG1          16 VAL  HB          3.50    (#   2851:25  Preassigned    2.41, 2.64 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   20 ASP  HB2          16 VAL  HB          5.50    (#   2852:25  Preassigned    3.89, 4.24 A)
 &rst
  ixpk= 2852, nxpk= 25, iat= 286, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          16 VAL  HB          4.50    (#   2853:25  Preassigned    3.18, 3.31 A)
 &rst
  ixpk= 2853, nxpk= 25, iat= 287, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HA           16 VAL  HB          4.50    (#   2854:25  Preassigned    2.47, 2.49 A)
 &rst
  ixpk= 2854, nxpk= 25, iat= 229, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HN           16 VAL  HB          5.50    (#   2855:25  Preassigned    3.59, 3.70 A)
 &rst
  ixpk= 2855, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           16 VAL  HB          5.50    (#   2856:25  Preassigned    4.79, 5.00 A)
 &rst
  ixpk= 2856, nxpk= 25, iat= 282, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           16 VAL  HB          3.50    (#   2857:25  Preassigned    2.23, 2.36 A)
 &rst
  ixpk= 2857, nxpk= 25, iat= 243, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  QD-          57 ASP  HB3         5.50    (#   2858:25  Preassigned    2.56, 5.59 A)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1, 880, 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  HB2         5.50    (#   2859:25  Preassigned    3.77, 6.93 A)
 &rst
  ixpk= 2859, nxpk= 25, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2860     0 AMB  25-1:2860   5.50    (#   2860:25  Double Ambig)
 &rst
  ixpk= 2860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 724, 725, 726, 917, 918, 919,
 igr2= 286, 120,
 &end
#
#    0 AMB  25-3:2861     0 AMB  25-1:2861   5.50    (#   2861:25  Double Ambig)
 &rst
  ixpk= 2861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 724, 725, 726, 917, 918, 919,
 igr2= 287, 964,
 &end
#
#   47 ILE  QD1          47 ILE  HG1+        3.50    (#   2862:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 712, 713, 714,
 igr2= 709, 710,
 &end
#
#   47 ILE  QG2          47 ILE  HG1+        4.50    (#   2863:25  Preassigned    2.38, 3.53 A)
 &rst
  ixpk= 2863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:2864     0 AMB  25-1:2864   4.50    (#   2864:25  Double Ambig)
 &rst
  ixpk= 2864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 701, 296,
 igr2= 709, 710, 709, 710,
 &end
#
#   47 ILE  HN           47 ILE  HG1+        4.50    (#   2865:25  Preassigned    2.56, 3.33 A)
 &rst
  ixpk= 2865, nxpk= 25, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 709, 710,
 &end
#
#   47 ILE  HB           47 ILE  HG1+        3.50    (#   2866:25  Preassigned    2.38, 2.44 A)
 &rst
  ixpk= 2866, nxpk= 25, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 709, 710,
 &end
#
#    0 AMB  25-3:2867     0 AMB  25-1:2867   5.50    (#   2867:25  Double Ambig)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 718, 311,
 igr2= 709, 710, 709, 710,
 &end
#
#   44 ARG  HN           43 ASP  HB2         5.50    (#   2868:25  Preassigned    4.18, 4.21 A)
 &rst
  ixpk= 2868, nxpk= 25, iat= 657, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           54 LYS  QB          5.50    (#   2869:25  Preassigned    5.06, 5.54 A)
 &rst
  ixpk= 2869, nxpk= 25, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   55 GLU  HA           54 LYS  QB          5.50    (#   2870:25  Preassigned    4.80, 5.47 A)
 &rst
  ixpk= 2870, nxpk= 25, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#    0 AMB  25-3:2871    53 LYS  QB          5.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 777, 778, 779, 200, 201, 202,
 igr2= 835, 836,
 &end
#
#   14 VAL  QG2          54 LYS  QB          7.00    (#   2872:25  Preassigned    5.28, 6.29 A)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 204, 205, 206,
 igr2= 835, 836,
 &end
#
#    3 VAL  QG1           3 VAL  HB          3.50    (#   2875:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2           3 VAL  HB          3.50    (#   2876:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  28,  29,  30,
 &end
#
#   66 LEU  HN            3 VAL  HB          5.50    (#   2878:25  Preassigned    3.04, 3.25 A)
 &rst
  ixpk= 2878, nxpk= 25, iat=1006,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN            3 VAL  HB          5.50    (#   2879:25  Preassigned    4.30, 4.40 A)
 &rst
  ixpk= 2879, nxpk= 25, iat= 987,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2881     2 VAL  HB          5.50    (#   2881:25  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=   6,1008,
 &end
#
#   20 ASP  HB3          22 ILE  QD1         5.50    (#   2883:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 2883, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   65 LEU  HA           16 VAL  QG2         7.00    (#   2886:25  Preassigned    6.35, 7.11 A)
 &rst
  ixpk= 2886, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 237, 238, 239,
 &end
#
#   12 TRP  HE1          30 ILE  QG2         7.00    (#   2888:25  Preassigned    5.99, 6.51 A)
 &rst
  ixpk= 2888, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 438, 439, 440,
 &end
#
#   20 ASP  HB2          16 VAL  QG2         5.50    (#   2889:25  Preassigned    5.98, 6.61 A)
 &rst
  ixpk= 2889, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   63 ASP  HB3          59 VAL  QG2         5.50    (#   2890:25  Preassigned    5.41, 5.75 A)
 &rst
  ixpk= 2890, nxpk= 25, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#    9 GLY  HA+          59 VAL  QG2         5.50    (#   2892:25  Preassigned    3.56, 4.88 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 917, 918, 919,
 &end
#
#   43 ASP  HA           41 VAL  QG2         5.50    (#   2893:25  Preassigned    4.04, 5.31 A)
 &rst
  ixpk= 2893, nxpk= 25, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 629, 630, 631,
 &end
#
#    7 MET  HN           59 VAL  QG2         5.50    (#   2894:25  Preassigned    5.46, 6.30 A)
 &rst
  ixpk= 2894, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 917, 918, 919,
 &end
#
#   26 GLN  HN           41 VAL  QG2         5.50    (#   2895:25  Preassigned    5.22, 6.01 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 629, 630, 631,
 &end
#
#    10 ASN  HA           59 VAL  QG1         5.50    (#   2896:25  Preassigned    4.18, 5.17 A)
 &rst
  ixpk= 2896, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
#   53 LYS  HN           59 VAL  QG1         7.00    (#   2897:25  Preassigned    6.95, 7.30 A)
 &rst
  ixpk= 2897, nxpk= 25, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  25-3:2899     0 AMB  25-1:2899   5.50    (#   2899:25  Double Ambig)
 &rst
  ixpk= 2899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  47, 196,
 igr2= 996, 997, 998,1000,1001,1002, 996, 997, 998,1000,
      1001,1002,
 &end
#
#   65 LEU  HA           53 LYS  HG+         5.50    (#   2900:25  Preassigned    2.43, 2.73 A)
 &rst
  ixpk= 2900, nxpk= 25, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 816, 817,
 &end
#
#   57 ASP  HB2          11 LEU  QD+         5.50    (#   2901:25  Preassigned    3.77, 6.93 A)
 &rst
  ixpk= 2901, nxpk= 25, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2902     0 AMB  25-1:2902   5.50    (#   2902:25  Double Ambig)
 &rst
  ixpk= 2902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 911, 198,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#    0 AMB  25-3:2903    64 LEU  QD-         5.50    (#   2903:25  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47, 196,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#   48 VAL  HA           66 LEU  QD+         5.50    (#   2904:25  Preassigned    2.88, 4.95 A)
 &rst
  ixpk= 2904, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   51 VAL  HA           65 LEU  QD-         5.50    (#   2905:25  Preassigned    4.26, 6.38 A)
 &rst
  ixpk= 2905, nxpk= 25, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  25-3:2906     0 AMB  25-1:2906   5.50    (#   2906:25  Double Ambig)
 &rst
  ixpk= 2906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 432, 987,
 igr2= 442, 443,  55,  56, 994,
 &end
#
#    0 AMB  25-3:2909    13 VAL  HB          5.50    (#   2909:25  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 426, 427, 428, 182, 183, 838, 839,
 &end
#
#    0 AMB  25-3:2910    15 VAL  HB          5.50    (#   2910:25  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 245, 284,
 &end
#
#   53 LYS  QE           53 LYS  HB2         5.50    (#   2911:25  Preassigned    4.67, 4.95 A)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   57 ASP  HB2          53 LYS  HB3         5.50    (#   2912:25  Preassigned    3.73, 4.26 A)
 &rst
  ixpk= 2912, nxpk= 25, iat= 879, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          13 LYS  HB2         5.50    (#   2913:25  Preassigned    3.66, 3.78 A)
 &rst
  ixpk= 2913, nxpk= 25, iat= 153, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          27 GLU  HG-         5.50    (#   2914:25  Preassigned    2.19, 3.12 A)
 &rst
  ixpk= 2914, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   15 HID  HD2          27 GLU  HG+         4.50    (#   2915:25  Preassigned    2.19, 3.12 A)
 &rst
  ixpk= 2915, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#    5 ILE  HA            5 ILE  HB          5.50    (#   2916:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 2916, nxpk= 25, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB-          27 GLU  HG+         5.50    (#   2917:25  Preassigned    2.62, 4.07 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 593, 594,
 igr2= 398, 399,
 &end
#
#   57 ASP  HA           58 PHE  HB2         5.50    (#   2918:25  Preassigned    4.50, 4.63 A)
 &rst
  ixpk= 2918, nxpk= 25, iat= 877, 891, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HA           58 PHE  HB3         5.50    (#   2919:25  Preassigned    4.56, 4.67 A)
 &rst
  ixpk= 2919, nxpk= 25, iat= 877, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  QD1          13 LYS  HE+         5.50    (#   2921:25  Preassigned    4.95, 6.97 A)
 &rst
  ixpk= 2921, 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
#
#   30 ILE  QD1          13 LYS  HE-         5.50    (#   2922:25  Preassigned    4.95, 6.97 A)
 &rst
  ixpk= 2922, 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
#
#   64 VAL  HN           53 LYS  QE          5.50    (#   2923:25  Preassigned    4.19, 4.66 A)
 &rst
  ixpk= 2923, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   63 ASP  HN           53 LYS  QE          5.50    (#   2924:25  Preassigned    5.78, 6.36 A)
 &rst
  ixpk= 2924, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   66 LEU  HA           65 LEU  HB2         7.00    (#   2927:25  Preassigned    5.85, 5.94 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=1008, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  QB           56 GLY  HA-         5.50    (#   2928:25  Preassigned    4.14, 4.84 A)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 857, 858,
 igr2= 870, 871,
 &end
#
#   63 ASP  HN           62 GLY  HA+         4.50    (#   2929:25  Preassigned    3.32, 3.40 A)
 &rst
  ixpk= 2929, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 954, 955,
 &end
#
#   62 GLY  HN           62 GLY  HA+         3.50    (#   2930:25  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 2930, nxpk= 25, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 954, 955,
 &end
#
#   15 HID  HD2          29 ALA  HA          5.50    (#   2931:25  Preassigned    2.97, 3.37 A)
 &rst
  ixpk= 2931, nxpk= 25, iat= 223, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  QG2          63 ASP  HA          5.50    (#   2933:25  Preassigned    3.62, 4.60 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 981, 982, 983,
 &end
#
#   30 ILE  QG2          32 GLU  HA          5.50    (#   2934:25  Preassigned    4.46, 5.27 A)
 &rst
  ixpk= 2934, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  QD1          32 GLU  HA          5.50    (#   2935:25  Preassigned    3.24, 4.17 A)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   31 LEU  HG           32 GLU  HA          7.00    (#   2936:25  Preassigned    6.07, 6.17 A)
 &rst
  ixpk= 2936, nxpk= 25, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2937    31 GLU  HA          5.50    (#   2937:25  Single Ambig)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 489, 515,
 &end
#
#   31 LEU  HB2          32 GLU  HA          7.00    (#   2938:25  Preassigned    5.91, 5.97 A)
 &rst
  ixpk= 2938, nxpk= 25, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 LYS  HG+          34 MET  HA          5.50    (#   2939:25  Preassigned    3.49, 4.50 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 520, 521,
 &end
#
#   26 GLN  HE2-         22 ILE  HA          5.50    (#   2940:25  Preassigned    2.24, 3.61 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#    4 SER  HA            5 ILE  HA          5.50    (#   2941:25  Preassigned    4.38, 4.40 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  36,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2942     4 ILE  HA          5.50    (#   2942:25  Single Ambig)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39, 954, 955,
 &end
#
#    6 GLN  HG+           5 ILE  HA          5.50    (#   2943:25  Preassigned    3.24, 4.56 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  25-3:2944     4 ILE  HA          5.50    (#   2944:25  Single Ambig)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#    0 AMB  25-3:2946     2 VAL  HA          5.50    (#   2946:25  Single Ambig)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  38,  39,
 &end
#
#    0 AMB  25-3:2947    68 SER  QB          4.50    (#   2947:25  Single Ambig)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1072, 701,
 igr2=1063,1064,
 &end
#
#   22 ILE  HG1+         45 SER  HB3         5.50    (#   2948:25  Preassigned    4.63, 5.14 A)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1+         45 SER  HB2         5.50    (#   2949:25  Preassigned    5.40, 5.99 A)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   20 ASP  HN           48 VAL  HA          5.50    (#   2953:25  Preassigned    5.29, 5.43 A)
 &rst
  ixpk= 2953, nxpk= 25, iat= 282, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2954    47 VAL  HA          5.50    (#   2954:25  Single Ambig)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1025, 699,
 &end
#
#   19 GLY  HN           48 VAL  HA          5.50    (#   2955:25  Preassigned    4.66, 4.76 A)
 &rst
  ixpk= 2955, nxpk= 25, iat= 275, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HN           48 VAL  HA          5.50    (#   2956:25  Preassigned    5.06, 5.23 A)
 &rst
  ixpk= 2956, nxpk= 25, iat=1040, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  QG1          66 LEU  HB2         5.50    (#   2985:25  Preassigned    3.49, 4.79 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 777, 778, 779,
 &end
#
#   51 VAL  QG1          66 LEU  HB3         5.50    (#   2986:25  Preassigned    2.48, 3.71 A)
 &rst
  ixpk= 2986, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 777, 778, 779,
 &end
#
#    0 AMB  25-3:2987    65 LEU  HB3         5.50    (#   2987:25  Single Ambig)
 &rst
  ixpk= 2987, nxpk= 25, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 728, 729, 730,  28,  29,  30,
 &end
#
#    3 VAL  QG2          66 LEU  HB2         5.50    (#   2988:25  Preassigned    5.28, 6.39 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   52 LYS  HN           66 LEU  HB2         5.50    (#   2989:25  Preassigned    3.86, 4.30 A)
 &rst
  ixpk= 2989, nxpk= 25, iat= 787,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           66 LEU  HB3         5.50    (#   2990:25  Preassigned    3.10, 3.56 A)
 &rst
  ixpk= 2990, nxpk= 25, iat= 787,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  QD1          44 ARG  HB3         5.50    (#   2992:25  Preassigned    5.00, 5.57 A)
 &rst
  ixpk= 2992, nxpk= 25, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1049,1050,1051,
 &end
#
#   57 ASP  HN           11 LEU  QD-         5.50    (#   3004:25  Preassigned    3.77, 6.01 A)
 &rst
  ixpk= 3004, nxpk= 25, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  QD1          34 MET  QE          5.50    (#   4000:25  Preassigned    2.31, 3.66 A)
 &rst
  ixpk= 4000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 580, 581, 582,
 igr2= 507, 508, 509,
 &end
#
#   38 ILE  HG1-          0 AMB  25-1:4001   5.50    (#   4001:25  Single Ambig)
 &rst
  ixpk= 4001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 577, 578,
 igr2= 507, 508, 509, 546, 547, 548,
 &end
#
#   31 LEU  HG            7 MET  QE          5.50    (#   4002:25  Preassigned    2.30, 3.64 A)
 &rst
  ixpk= 4002, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   40 ILE  QD1           7 MET  QE          5.50    (#   4003:25  Preassigned    2.22, 3.52 A)
 &rst
  ixpk= 4003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 613, 614, 615,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  QD1           7 MET  QE          4.50    (#   4004:25  Preassigned    3.17, 5.17 A)
 &rst
  ixpk= 4004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 580, 581, 582,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:4005     6 MET  QE          4.50    (#   4005:25  Single Ambig)
 &rst
  ixpk= 4005, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 573, 574, 575,  51,  52,  53,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1-          7 MET  QE          5.50    (#   4006:25  Preassigned    3.25, 5.02 A)
 &rst
  ixpk= 4006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 577, 578,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1+          7 MET  QE          5.50    (#   4007:25  Preassigned    3.25, 5.02 A)
 &rst
  ixpk= 4007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 577, 578,
 igr2=  92,  93,  94,
 &end
#
#   40 ILE  HG1+          7 MET  QE          5.50    (#   4008:25  Preassigned    3.85, 5.02 A)
 &rst
  ixpk= 4008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 610, 611,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB3           7 MET  QE          5.50    (#   4011:25  Preassigned    5.00, 6.01 A)
 &rst
  ixpk= 4011, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB2           7 MET  QE          5.50    (#   4012:25  Preassigned    5.56, 6.52 A)
 &rst
  ixpk= 4012, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HA           34 MET  QE          5.50    (#   4013:25  Preassigned    4.65, 5.88 A)
 &rst
  ixpk= 4013, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#    0 AMB  25-3:4014     6 MET  QE          5.50    (#   4014:25  Single Ambig)
 &rst
  ixpk= 4014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  83, 434,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HG+          34 MET  QE          5.50    (#   4015:25  Preassigned    2.46, 3.52 A)
 &rst
  ixpk= 4015, 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
#
#    6 GLN  HG-           7 MET  QE          4.50    (#   4018:25  Unique         2.51, 5.76 A)
 &rst
  ixpk= 4018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  71,  72,
 igr2=  92,  93,  94,
 &end
#
#    7 MET  QG            7 MET  QE          4.50    (#   4019:25  Preassigned    2.34, 3.40 A)
 &rst
  ixpk= 4019, 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
#
#    7 MET  HB3           7 MET  QE          3.50    (#   4020:25  Preassigned    3.04, 4.47 A)
 &rst
  ixpk= 4020, nxpk= 25, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  92,  93,  94,
 &end
#
#    7 MET  HB2           7 MET  QE          4.50    (#   4022:25  Preassigned    2.32, 4.69 A)
 &rst
  ixpk= 4022, nxpk= 25, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 &end
#
#   40 ILE  HB            7 MET  QE          5.50    (#   4024:25  Preassigned    6.06, 6.76 A)
 &rst
  ixpk= 4024, nxpk= 25, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HB            7 MET  QE          4.50    (#   4025:25  Preassigned    2.25, 3.17 A)
 &rst
  ixpk= 4025, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 &end
#
#    7 MET  HB3          34 MET  QE          4.50    (#   4027:25  Preassigned    3.40, 5.26 A)
 &rst
  ixpk= 4027, nxpk= 25, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 507, 508, 509,
 &end
#
#   38 ILE  HB           34 MET  QE          4.50    (#   4028:25  Preassigned    4.43, 5.07 A)
 &rst
  ixpk= 4028, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 507, 508, 509,
 &end
#
#   38 ILE  HB           34 MET  QE          4.50    (#   4029:25  Preassigned    4.43, 5.07 A)
 &rst
  ixpk= 4029, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 507, 508, 509,
 &end
#
#   31 LEU  HB3          34 MET  QE          5.50    (#   4030:25  Preassigned    6.01, 6.75 A)
 &rst
  ixpk= 4030, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#   36 MET  HB3          36 MET  QE          4.50    (#   4031:25  Preassigned    2.30, 4.21 A)
 &rst
  ixpk= 4031, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 546, 547, 548,
 &end
#
#    7 MET  QG           34 MET  QE          4.50    (#   4034:25  Preassigned    2.83, 4.89 A)
 &rst
  ixpk= 4034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,
 igr2= 507, 508, 509,
 &end
#
#   36 MET  HG-          36 MET  QE          5.50    (#   4035:25  Preassigned    2.58, 3.48 A)
 &rst
  ixpk= 4035, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 542, 543,
 igr2= 546, 547, 548,
 &end
#
#   36 MET  HG+          36 MET  QE          5.50    (#   4036:25  Preassigned    2.58, 3.48 A)
 &rst
  ixpk= 4036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 542, 543,
 igr2= 546, 547, 548,
 &end
#
#    0 AMB  25-3:5000    14 HID  HE1         3.50    (#   5000:25  Single Ambig)
 &rst
  ixpk= 5000, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 177, 182, 183,
 &end
#
#   13 LYS  HB2          15 HID  HE1         4.50    (#   5001:25  Preassigned    2.15, 2.25 A)
 &rst
  ixpk= 5001, nxpk= 25, iat= 176, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  QD1          15 HID  HE1         2.80    (#   5002:25  Preassigned    2.72, 3.77 A)
 &rst
  ixpk= 5002, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 445, 446, 447,
 &end
#
#   13 LYS  HG+          15 HID  HE1         4.50    (#   5003:25  Preassigned    3.48, 4.47 A)
 &rst
  ixpk= 5003, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    0 AMB  25-3:5005    14 HID  HE1         5.50    (#   5005:25  Single Ambig)
 &rst
  ixpk= 5005, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#    0 AMB  25-3:5006    14 HID  HE1         3.50    (#   5006:25  Single Ambig)
 &rst
  ixpk= 5006, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183, 442, 443,
 &end
#
#   15 HID  HD2          15 HID  HE1         5.50    (#   5007:25  Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 5007, nxpk= 25, iat= 223, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HG-          15 HID  HE1         5.50    (#   5008:25  Preassigned    3.48, 4.47 A)
 &rst
  ixpk= 5008, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#    8 ALA  QB           58 PHE  HZ          4.50    (#   5010:25  Preassigned    4.03, 5.18 A)
 &rst
  ixpk= 5010, nxpk= 25, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   12 TRP  HE1          12 TRP  HD1         3.50    (#   5011:25  Preassigned    2.55, 2.55 A)
 &rst
  ixpk= 5011, nxpk= 25, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:5012    11 TRP  HD1         5.50    (#   5012:25  Single Ambig)
 &rst
  ixpk= 5012, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 161, 167,
 &end
#
#   37 GLU  HG-          12 TRP  HD1         4.50    (#   5013:25  Preassigned    3.47, 3.84 A)
 &rst
  ixpk= 5013, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   30 ILE  QG2          12 TRP  HD1         4.50    (#   5014:25  Preassigned    4.93, 5.71 A)
 &rst
  ixpk= 5014, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   13 LYS  HG-          12 TRP  HD1         5.50    (#   5015:25  Preassigned    5.14, 6.00 A)
 &rst
  ixpk= 5015, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   12 TRP  HB3          12 TRP  HD1         4.50    (#   5016:25  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 5016, nxpk= 25, iat= 153, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB2          12 TRP  HD1         5.50    (#   5017:25  Preassigned    2.27, 2.35 A)
 &rst
  ixpk= 5017, nxpk= 25, iat= 474, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HZ2          12 TRP  HH2         2.80    (#   5019:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5019, nxpk= 25, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HE3          12 TRP  HZ3         2.80    (#   5020:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 5020, nxpk= 25, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:5021    11 TRP  HZ3         4.50    (#   5021:25  Single Ambig)
 &rst
  ixpk= 5021, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 445, 446, 447, 438, 439, 440,
 &end
#
#   12 TRP  HB2          12 TRP  HE3         5.50    (#   5023:25  Preassigned    4.03, 4.06 A)
 &rst
  ixpk= 5023, nxpk= 25, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          12 TRP  HE3         4.50    (#   5024:25  Preassigned    2.58, 2.60 A)
 &rst
  ixpk= 5024, nxpk= 25, iat= 153, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HB           12 TRP  HE3         4.50    (#   5025:25  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 5025, nxpk= 25, iat= 436, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:5026    11 TRP  HE3         4.50    (#   5026:25  Single Ambig)
 &rst
  ixpk= 5026, nxpk= 25, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 445, 446, 447, 438, 439, 440,
 &end
#
#   12 TRP  HZ3          12 TRP  HE3         3.50    (#   5027:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 5027, nxpk= 25, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HN           15 HID  HD2         5.50    (#   5028:25  Preassigned    3.26, 3.48 A)
 &rst
  ixpk= 5028, nxpk= 25, iat= 406, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HG-          15 HID  HD2         4.50    (#   5029:25  Preassigned    2.19, 3.12 A)
 &rst
  ixpk= 5029, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HG+          15 HID  HD2         2.80    (#   5030:25  Preassigned    2.19, 3.12 A)
 &rst
  ixpk= 5030, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 398, 399,
 &end
#
#   29 ALA  HN           15 HID  HD2         5.50    (#   5031:25  Preassigned    3.19, 3.41 A)
 &rst
  ixpk= 5031, nxpk= 25, iat= 422, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           15 HID  HD2         4.50    (#   5032:25  Preassigned    2.97, 3.37 A)
 &rst
  ixpk= 5032, nxpk= 25, iat= 424, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:5033    14 HID  HD2         5.50    (#   5033:25  Single Ambig)
 &rst
  ixpk= 5033, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 442, 443, 426, 427, 428,
 &end
#
#   28 VAL  HA           15 HID  HD2         3.50    (#   5035:25  Preassigned    2.58, 2.95 A)
 &rst
  ixpk= 5035, nxpk= 25, iat= 408, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HA           15 HID  HD2         5.50    (#   5036:25  Preassigned    4.37, 4.56 A)
 &rst
  ixpk= 5036, nxpk= 25, iat= 393, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HB3          15 HID  HD2         4.50    (#   5037:25  Preassigned    3.44, 3.51 A)
 &rst
  ixpk= 5037, nxpk= 25, iat= 215, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HD2         3.50    (#   5038:25  Preassigned    2.52, 2.54 A)
 &rst
  ixpk= 5038, nxpk= 25, iat= 214, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HB+          15 HID  HD2         4.50    (#   5039:25  Preassigned    3.17, 4.38 A)
 &rst
  ixpk= 5039, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 395, 396,
 &end
#
#    0 AMB  25-3:5040    14 HID  HD2         4.50    (#   5040:25  Single Ambig)
 &rst
  ixpk= 5040, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 233, 234, 235, 445, 446, 447,
 &end
#
#   12 TRP  HH2          12 TRP  HZ2         2.80    (#   5041:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5041, nxpk= 25, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HE1          12 TRP  HZ2         4.50    (#   5042:25  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 5042, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HD           58 PHE  HE          5.50    (#   5044:25  Preassigned    2.48, 3.73 A)
 &rst
  ixpk= 5044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 895, 903,
 igr2= 897, 901,
 &end
#
#   13 LYS  HG+          12 TRP  HD1         5.50    (#   5045:25  Preassigned    5.14, 6.00 A)
 &rst
  ixpk= 5045, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HB2          12 TRP  HD1         7.00    (#   5046:25  Preassigned    6.57, 6.74 A)
 &rst
  ixpk= 5046, nxpk= 25, iat= 176, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HN           12 TRP  HD1         5.50    (#   5047:25  Preassigned    5.52, 5.52 A)
 &rst
  ixpk= 5047, nxpk= 25, iat= 172, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          15 HID  HD2         5.50    (#   5050:25  Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 5050, nxpk= 25, iat= 220, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           15 HID  HD2         5.50    (#   5051:25  Preassigned    3.62, 3.76 A)
 &rst
  ixpk= 5051, nxpk= 25, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HE-          12 TRP  HZ2         5.50    (#   5052:25  Preassigned    3.77, 4.94 A)
 &rst
  ixpk= 5052, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HE+          12 TRP  HZ2         5.50    (#   5053:25  Preassigned    3.77, 4.94 A)
 &rst
  ixpk= 5053, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   30 ILE  QD1          12 TRP  HH2         5.50    (#   5054:25  Preassigned    4.92, 5.39 A)
 &rst
  ixpk= 5054, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 445, 446, 447,
 &end
#
#   12 TRP  HE1          12 TRP  HH2         5.50    (#   5055:25  Preassigned    5.09, 5.09 A)
 &rst
  ixpk= 5055, nxpk= 25, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HB3          58 PHE  HD          5.50    (#   5056:25  Preassigned    2.38, 3.08 A)
 &rst
  ixpk= 5056, nxpk= 25, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 903,
 &end
#
#   58 PHE  HB2          58 PHE  HD          4.50    (#   5057:25  Preassigned    2.49, 3.09 A)
 &rst
  ixpk= 5057, nxpk= 25, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 895, 903,
 &end
#
#   58 PHE  HA           58 PHE  HD          4.50    (#   5058:25  Preassigned    2.88, 3.62 A)
 &rst
  ixpk= 5058, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 895, 903,
 &end
#
#    0 AMB  25-3:5059    57 PHE  HD          5.50    (#   5059:25  Single Ambig)
 &rst
  ixpk= 5059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 907, 887,
 igr2= 895, 903,
 &end
#
#   13 LYS  HB2          12 TRP  HE3         5.50    (#   5060:25  Preassigned    2.34, 2.52 A)
 &rst
  ixpk= 5060, nxpk= 25, iat= 176, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:5061    11 TRP  HE3         5.50    (#   5061:25  Single Ambig)
 &rst
  ixpk= 5061, nxpk= 25, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 443, 474,
 &end
#
#   12 TRP  HB2          12 TRP  HD1         4.50    (#   5064:25  Preassigned    2.70, 2.74 A)
 &rst
  ixpk= 5064, nxpk= 25, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           12 TRP  HD1         5.50    (#   5065:25  Preassigned    4.13, 4.38 A)
 &rst
  ixpk= 5065, nxpk= 25, iat= 148, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:0        3 VAL  HN          5.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 977, 978, 979,
 &end
#
#   64 VAL  QG2           3 VAL  HN          5.50    (#      1:15  Preassigned    4.86, 6.10 A)
 &rst
  ixpk= 1, nxpk= 15, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 981, 982, 983,
 &end
#
#    2 THR  QG2           3 VAL  HN          5.50    (#      2:15  Preassigned    2.57, 3.79 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  10,  11,  12,
 &end
#
#   67 GLU  HB3           3 VAL  HN          7.00    (#      3:15  Preassigned    4.92, 6.23 A)
 &rst
  ixpk= 3, nxpk= 15, iat=1030,  18, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 THR  HB            3 VAL  HN          5.50    (#      4:15  Preassigned    2.20, 3.33 A)
 &rst
  ixpk= 4, nxpk= 15, iat=   8,  18, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 THR  HA            3 VAL  HN          4.50    (#      5:15  Preassigned    2.20, 2.57 A)
 &rst
  ixpk= 5, nxpk= 15, iat=   6,  18, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:6        4 SER  HN          5.50    (#      6:15  Single Ambig)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 996, 997, 998,1000,1001,1002, 606, 607, 608,
 &end
#
#    3 VAL  QG2           4 SER  HN          4.50    (#      7:15  Preassigned    4.41, 5.05 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    3 VAL  QG1           4 SER  HN          4.50    (#      8:15  Preassigned    2.30, 3.29 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#   65 LEU  HB2           4 SER  HN          5.50    (#      9:15  Preassigned    4.44, 4.87 A)
 &rst
  ixpk= 9, nxpk= 15, iat= 991,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HB            4 SER  HN          5.50    (#     10:15  Preassigned    3.59, 3.98 A)
 &rst
  ixpk= 10, nxpk= 15, iat=  22,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:11       4 SER  HN          4.50    (#     11:15  Single Ambig)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  38,  39,
 &end
#
#    3 VAL  HA            4 SER  HN          2.80    (#     12:15  Preassigned    2.17, 2.26 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  20,  34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 SER  HA            4 SER  HN          4.50    (#     13:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 13, nxpk= 15, iat=  36,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            5 ILE  HN          5.50    (#     14:15  Preassigned    3.75, 3.99 A)
 &rst
  ixpk= 14, nxpk= 15, iat= 987,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN            5 ILE  HN          5.50    (#     15:15  Preassigned    4.00, 4.12 A)
 &rst
  ixpk= 15, nxpk= 15, iat= 952,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HA            5 ILE  HN          3.50    (#     17:15  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 17, nxpk= 15, iat=  36,  45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:18       5 ILE  HN          7.00    (#     18:15  Single Ambig)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 909,  20,
 &end
#
#    5 ILE  HA            5 ILE  HN          4.50    (#     19:15  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  47,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA            5 ILE  HN          5.50    (#     20:15  Preassigned    3.64, 3.75 A)
 &rst
  ixpk= 20, nxpk= 15, iat= 973,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:21       5 ILE  HN          3.50    (#     21:15  Single Ambig)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#   63 ASP  HB2           5 ILE  HN          5.50    (#     22:15  Preassigned    5.05, 5.12 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 963,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HB            5 ILE  HN          3.50    (#     23:15  Preassigned    2.41, 2.49 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  49,  45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HG1+          5 ILE  HN          4.50    (#     24:15  Preassigned    2.15, 3.07 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1-          5 ILE  HN          4.50    (#     25:15  Preassigned    2.15, 3.07 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HN          4.50    (#     26:15  Preassigned    4.36, 4.55 A)
 &rst
  ixpk= 26, 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    (#     27:15  Preassigned    2.05, 3.77 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   31 LEU  HG            6 GLN  HN          5.50    (#     28:15  Preassigned    4.46, 4.73 A)
 &rst
  ixpk= 28, nxpk= 15, iat= 458,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  QD1           6 GLN  HN          5.50    (#     29:15  Preassigned    2.73, 3.78 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 613, 614, 615,
 &end
#
#    5 ILE  QG2           6 GLN  HN          4.50    (#     30:15  Preassigned    2.28, 2.99 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  HG1-          6 GLN  HN          5.50    (#     31:15  Preassigned    4.36, 5.08 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1+          6 GLN  HN          5.50    (#     32:15  Preassigned    4.36, 5.08 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    0 AMB  15-3:33       6 GLN  HN          5.50    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  85,
 &end
#
#    6 GLN  HB-           6 GLN  HN          4.50    (#     34:15  Unique         2.49, 3.29 A)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  68,  69,
 &end
#
#    0 AMB  15-3:35       6 GLN  HN          4.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,  68,  69,
 &end
#
#    6 GLN  HG+           6 GLN  HN          4.50    (#     36:15  Preassigned    2.06, 3.29 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    5 ILE  HA            6 GLN  HN          3.50    (#     37:15  Preassigned    2.35, 2.37 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  47,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HA            6 GLN  HN          4.50    (#     38:15  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 38, nxpk= 15, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            6 GLN  HN          4.50    (#     39:15  Preassigned    2.26, 2.34 A)
 &rst
  ixpk= 39, nxpk= 15, iat=  81,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:40       6 GLN  HN          5.50    (#     40:15  Single Ambig)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  45, 619,
 &end
#
#    0 AMB  15-3:41       7 MET  HN          5.50    (#     41:15  Single Ambig)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
       464, 465, 466,
 &end
#
#    0 AMB  15-3:42       7 MET  HN          5.50    (#     42:15  Single Ambig)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 613, 614, 615,  58,  59,  60, 606, 607, 608,
 &end
#
#    5 ILE  QG2           7 MET  HN          3.50    (#     43:15  Preassigned    1.75, 2.91 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  HG1-          7 MET  HN          5.50    (#     44:15  Preassigned    5.29, 5.63 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1+          7 MET  HN          5.50    (#     45:15  Preassigned    5.29, 5.63 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    7 MET  HB2           7 MET  HN          4.50    (#     46:15  Preassigned    2.82, 3.74 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  85,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:47       7 MET  HN          4.50    (#     47:15  Single Ambig)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  86,  68,  69,
 &end
#
#    0 AMB  15-3:48       7 MET  HN          5.50    (#     48:15  Single Ambig)
 &rst
  ixpk= 48, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 944, 945, 911,
 &end
#
#   61 GLU  HG+           7 MET  HN          5.50    (#     49:15  Preassigned    4.23, 5.10 A)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 944, 945,
 &end
#
#    7 MET  QG            7 MET  HN          4.50    (#     50:15  Preassigned    2.52, 3.70 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    6 GLN  HG+           7 MET  HN          5.50    (#     51:15  Preassigned    3.61, 4.73 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:52       7 MET  HN          5.50    (#     52:15  Single Ambig)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,  68,  69,
 &end
#
#   61 GLU  HA            7 MET  HN          5.50    (#     53:15  Preassigned    2.74, 2.97 A)
 &rst
  ixpk= 53, nxpk= 15, iat= 939,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            7 MET  HN          5.50    (#     54:15  Preassigned    4.08, 4.18 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  47,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA            7 MET  HN          4.50    (#     55:15  Preassigned    2.97, 3.21 A)
 &rst
  ixpk= 55, nxpk= 15, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HA            7 MET  HN          4.50    (#     56:15  Preassigned    2.87, 2.91 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  83,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ALA  HA            7 MET  HN          5.50    (#     57:15  Preassigned    4.59, 4.71 A)
 &rst
  ixpk= 57, nxpk= 15, iat= 100,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HE2+          7 MET  HN          5.50    (#     58:15  Preassigned    4.19, 6.11 A)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  76,  77,
 &end
#
#    0 AMB  15-3:60       7 MET  HN          5.50    (#     60:15  Single Ambig)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 959,
 &end
#
#   62 GLY  HN            7 MET  HN          5.50    (#     61:15  Preassigned    4.14, 4.34 A)
 &rst
  ixpk= 61, nxpk= 15, iat= 952,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HN            7 MET  HN          4.50    (#     62:15  Preassigned    2.26, 2.34 A)
 &rst
  ixpk= 62, nxpk= 15, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:63       8 ALA  HN          5.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, 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
#
#    8 ALA  QB            8 ALA  HN          3.50    (#     66:15  Preassigned    2.44, 2.92 A)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 102, 103, 104,
 &end
#
#    7 MET  HB2           8 ALA  HN          3.50    (#     67:15  Preassigned    2.54, 2.80 A)
 &rst
  ixpk= 67, nxpk= 15, iat=  85,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HB3           8 ALA  HN          4.50    (#     68:15  Preassigned    2.40, 3.56 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  86,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:69       8 ALA  HN          5.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 944, 945, 911,
 &end
#
#    7 MET  QG            8 ALA  HN          5.50    (#     70:15  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#   61 GLU  HG+           8 ALA  HN          5.50    (#     71:15  Preassigned    5.58, 6.25 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 944, 945,
 &end
#
#   61 GLU  HA            8 ALA  HN          5.50    (#     72:15  Preassigned    4.81, 5.07 A)
 &rst
  ixpk= 72, nxpk= 15, iat= 939,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            8 ALA  HN          4.50    (#     73:15  Preassigned    2.87, 2.93 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HA            8 ALA  HN          5.50    (#     74:15  Preassigned    4.06, 4.24 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 925,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA            8 ALA  HN          2.80    (#     75:15  Preassigned    2.32, 2.38 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  83,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 MET  HN            8 ALA  HN          5.50    (#     76:15  Preassigned    4.29, 4.33 A)
 &rst
  ixpk= 76, nxpk= 15, iat=  81,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HN            8 ALA  HN          5.50    (#     78:15  Preassigned    3.72, 4.06 A)
 &rst
  ixpk= 78, nxpk= 15, iat= 937,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:79       9 GLY  HN          5.50    (#     79:15  Single Ambig)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1, 108, 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
#
#   59 VAL  QG2           9 GLY  HN          4.50    (#     80:15  Preassigned    2.85, 3.99 A)
 &rst
  ixpk= 80, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG1           9 GLY  HN          5.50    (#     81:15  Preassigned    5.96, 6.37 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#    5 ILE  QG2           9 GLY  HN          5.50    (#     82:15  Preassigned    4.77, 5.71 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   31 LEU  HB2           9 GLY  HN          7.00    (#     83:15  Preassigned    6.94, 7.02 A)
 &rst
  ixpk= 83, nxpk= 15, iat= 455, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8 ALA  QB            9 GLY  HN          4.50    (#     84:15  Preassigned    2.91, 3.84 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   61 GLU  HB2           9 GLY  HN          7.00    (#     85:15  Preassigned    6.92, 7.00 A)
 &rst
  ixpk= 85, nxpk= 15, iat= 941, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  HB            9 GLY  HN          5.50    (#     86:15  Preassigned    4.58, 4.67 A)
 &rst
  ixpk= 86, nxpk= 15, iat= 911, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA-           9 GLY  HN          4.50    (#     87:15  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA+           9 GLY  HN          4.50    (#     88:15  Preassigned    2.78, 2.84 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 110, 111,
 &end
#
#    8 ALA  HA            9 GLY  HN          2.80    (#     89:15  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 89, nxpk= 15, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HA            9 GLY  HN          5.50    (#     90:15  Preassigned    4.92, 4.98 A)
 &rst
  ixpk= 90, nxpk= 15, iat= 889, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HE            9 GLY  HN          5.50    (#     91:15  Preassigned    4.17, 5.25 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 897, 901,
 &end
#
#   58 PHE  HD            9 GLY  HN          5.50    (#     92:15  Preassigned    4.51, 5.60 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 903,
 &end
#
#    0 AMB  15-3:93       9 GLY  HN          5.50    (#     93:15  Single Ambig)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 937,
 &end
#
#    0 AMB  15-3:94       9 GLY  HN          4.50    (#     94:15  Single Ambig)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 907, 115,
 &end
#
#   32 GLU  HN            10 ASN  HN          4.50    (#     95:15  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 95, nxpk= 15, iat= 470, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN            10 ASN  HN          5.50    (#     96:15  Preassigned    4.26, 4.32 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 129, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HN            10 ASN  HN          5.50    (#     97:15  Preassigned    4.25, 4.29 A)
 &rst
  ixpk= 97, nxpk= 15, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD2-          10 ASN  HN          5.50    (#     98:15  Preassigned    3.45, 4.27 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#    10 ASN  HD2+          10 ASN  HN          5.50    (#     99:15  Preassigned    3.45, 4.27 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 124, 125,
 &end
#
#    10 ASN  HA            10 ASN  HN          4.50    (#    100:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 100, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HA            10 ASN  HN          5.50    (#    102:15  Preassigned    4.32, 4.43 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 487, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA+           10 ASN  HN          3.50    (#    103:15  Preassigned    2.24, 2.61 A)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA-           10 ASN  HN          4.50    (#    104:15  Preassigned    2.24, 2.61 A)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 110, 111,
 &end
#
#   33 SER  HB2           10 ASN  HN          5.50    (#    105:15  Preassigned    3.38, 3.53 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 489, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2           10 ASN  HN          3.50    (#    106:15  Preassigned    2.62, 2.65 A)
 &rst
  ixpk= 106, 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    (#    107:15  Preassigned    3.67, 3.69 A)
 &rst
  ixpk= 107, nxpk= 15, iat= 120, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3           10 ASN  HN          5.50    (#    108:15  Preassigned    3.28, 3.42 A)
 &rst
  ixpk= 108, nxpk= 15, iat= 475, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB2           10 ASN  HN          5.50    (#    110:15  Preassigned    5.55, 5.58 A)
 &rst
  ixpk= 110, nxpk= 15, iat= 455, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  QG2           10 ASN  HN          5.50    (#    111:15  Preassigned    3.75, 4.22 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#    0 AMB  15-3:112      9 ASN  HN          4.50    (#    112:15  Single Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 115, 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  15-3:113     10 LEU  HN          5.50    (#    113:15  Single Ambig)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1, 129, 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          11 LEU  HN          4.50    (#    114:15  Preassigned    2.56, 3.59 A)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG1          11 LEU  HN          5.50    (#    115:15  Preassigned    3.42, 4.45 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#   11 LEU  HG           11 LEU  HN          4.50    (#    116:15  Preassigned    2.90, 4.27 A)
 &rst
  ixpk= 116, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          11 LEU  HN          3.50    (#    117:15  Preassigned    2.13, 2.34 A)
 &rst
  ixpk= 117, nxpk= 15, iat= 133, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HD+          11 LEU  HN          7.00    (#    118:15  Preassigned    5.31, 6.40 A)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 819, 820,
 &end
#
#   11 LEU  HB3          11 LEU  HN          4.50    (#    119:15  Preassigned    2.51, 2.71 A)
 &rst
  ixpk= 119, nxpk= 15, iat= 134, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  QG2          11 LEU  HN          7.00    (#    121:15  Preassigned    6.26, 7.39 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  51,  52,  53,
 &end
#
#    10 ASN  HB3          11 LEU  HN          4.50    (#    122:15  Preassigned    3.02, 3.09 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 120, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB2          11 LEU  HN          5.50    (#    124:15  Preassigned    4.22, 4.25 A)
 &rst
  ixpk= 124, nxpk= 15, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           11 LEU  HN          4.50    (#    128:15  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA           11 LEU  HN          4.50    (#    129:15  Preassigned    3.77, 3.87 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 889, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           11 LEU  HN          3.50    (#    130:15  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:132     10 LEU  HN          5.50    (#    132:15  Single Ambig)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 115, 907, 887,
 &end
#
#   56 GLY  HN           11 LEU  HN          5.50    (#    133:15  Preassigned    3.91, 4.02 A)
 &rst
  ixpk= 133, nxpk= 15, iat= 868, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           12 TRP  HN          4.50    (#    134:15  Preassigned    2.55, 2.83 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 470, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           12 TRP  HN          5.50    (#    135:15  Preassigned    4.19, 4.60 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 451, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           12 TRP  HN          5.50    (#    137:15  Preassigned    3.91, 4.54 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 432, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HN          4.50    (#    139:15  Preassigned    2.51, 3.13 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 172, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HN          5.50    (#    140:15  Preassigned    5.03, 5.32 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 167, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HA           12 TRP  HN          3.50    (#    141:15  Preassigned    2.28, 2.54 A)
 &rst
  ixpk= 141, nxpk= 15, iat= 453, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:142     11 TRP  HN          5.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 434, 174,
 &end
#
#   11 LEU  HA           12 TRP  HN          3.50    (#    143:15  Preassigned    2.13, 2.27 A)
 &rst
  ixpk= 143, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HB3          12 TRP  HN          3.50    (#    144:15  Preassigned    2.56, 2.78 A)
 &rst
  ixpk= 144, nxpk= 15, iat= 153, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HB2          12 TRP  HN          3.50    (#    145:15  Preassigned    2.16, 2.26 A)
 &rst
  ixpk= 145, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HB3          12 TRP  HN          5.50    (#    146:15  Preassigned    3.48, 3.98 A)
 &rst
  ixpk= 146, nxpk= 15, iat= 475, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:147     11 TRP  HN          4.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 134, 456,
 &end
#
#    0 AMB  15-3:148     11 TRP  HN          4.50    (#    148:15  Single Ambig)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 474, 133, 426, 427, 428,
 &end
#
#    0 AMB  15-3:149     11 TRP  HN          5.50    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 455,
 &end
#
#   30 ILE  QG2          12 TRP  HN          5.50    (#    150:15  Preassigned    3.83, 5.11 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   11 LEU  QD+          12 TRP  HN          4.50    (#    151:15  Preassigned    3.08, 5.46 A)
 &rst
  ixpk= 151, 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  15-3:152     11 TRP  HN          4.50    (#    152:15  Single Ambig)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   14 VAL  HN           13 LYS  HN          5.50    (#    153:15  Preassigned    4.34, 4.36 A)
 &rst
  ixpk= 153, nxpk= 15, iat= 194, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           13 LYS  HN          3.50    (#    154:15  Preassigned    2.67, 2.72 A)
 &rst
  ixpk= 154, nxpk= 15, iat= 432, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HN           13 LYS  HN          3.50    (#    155:15  Preassigned    2.51, 3.13 A)
 &rst
  ixpk= 155, nxpk= 15, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HE1          13 LYS  HN          4.50    (#    156:15  Preassigned    4.56, 4.57 A)
 &rst
  ixpk= 156, nxpk= 15, iat= 220, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HD1          13 LYS  HN          5.50    (#    157:15  Preassigned    5.52, 5.52 A)
 &rst
  ixpk= 157, nxpk= 15, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           13 LYS  HN          4.50    (#    158:15  Preassigned    3.60, 3.62 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HA           13 LYS  HN          4.50    (#    159:15  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 159, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           13 LYS  HN          5.50    (#    160:15  Preassigned    3.96, 4.24 A)
 &rst
  ixpk= 160, nxpk= 15, iat= 131, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           13 LYS  HN          5.50    (#    161:15  Preassigned    4.54, 4.64 A)
 &rst
  ixpk= 161, nxpk= 15, iat= 424, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          13 LYS  HN          4.50    (#    162:15  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB3          13 LYS  HN          3.50    (#    163:15  Preassigned    2.23, 2.27 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:164     12 LYS  HN          5.50    (#    164:15  Single Ambig)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 860, 861, 185, 186,
 &end
#
#    0 AMB  15-3:165     12 LYS  HN          5.50    (#    165:15  Single Ambig)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 860, 861, 559, 560,
 &end
#
#   30 ILE  HB           13 LYS  HN          4.50    (#    166:15  Preassigned    2.63, 2.72 A)
 &rst
  ixpk= 166, nxpk= 15, iat= 436, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:167     12 LYS  HN          5.50    (#    167:15  Single Ambig)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 426, 427, 428, 182, 183, 442, 443,
 &end
#
#   13 LYS  HB3          13 LYS  HN          5.50    (#    168:15  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 168, nxpk= 15, iat= 177, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HB2          13 LYS  HN          4.50    (#    169:15  Preassigned    2.78, 2.85 A)
 &rst
  ixpk= 169, nxpk= 15, iat= 176, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:170     12 LYS  HN          5.50    (#    170:15  Single Ambig)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#   13 LYS  HG+          13 LYS  HN          5.50    (#    171:15  Preassigned    3.53, 4.02 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG-          13 LYS  HN          5.50    (#    172:15  Preassigned    3.53, 4.02 A)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   11 LEU  QD+          13 LYS  HN          5.50    (#    173:15  Preassigned    3.83, 5.70 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          13 LYS  HN          5.50    (#    174:15  Preassigned    3.83, 5.70 A)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   14 VAL  QG2          14 VAL  HN          4.50    (#    177:15  Preassigned    3.08, 3.89 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:178     13 VAL  HN          4.50    (#    178:15  Single Ambig)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 200, 201, 202,
 &end
#
#    0 AMB  15-3:179     13 VAL  HN          4.50    (#    179:15  Single Ambig)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 177, 182, 183,
 &end
#
#    0 AMB  15-3:180     13 VAL  HN          5.50    (#    180:15  Single Ambig)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 182, 183, 426, 427, 428,
 &end
#
#   30 ILE  HB           14 VAL  HN          7.00    (#    181:15  Preassigned    5.79, 5.86 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 436, 194, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  QB           14 VAL  HN          5.50    (#    182:15  Preassigned    4.00, 4.98 A)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 857, 858,
 &end
#
#   55 GLU  HG-          14 VAL  HN          4.50    (#    183:15  Preassigned    2.07, 2.87 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#   14 VAL  HB           14 VAL  HN          3.50    (#    184:15  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 184, nxpk= 15, iat= 198, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG+          14 VAL  HN          4.50    (#    185:15  Preassigned    2.07, 2.87 A)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#   14 VAL  HA           14 VAL  HN          4.50    (#    186:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HA           14 VAL  HN          2.80    (#    187:15  Preassigned    2.38, 2.41 A)
 &rst
  ixpk= 187, nxpk= 15, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 LYS  HN           14 VAL  HN          5.50    (#    188:15  Preassigned    4.34, 4.36 A)
 &rst
  ixpk= 188, 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    (#    189:15  Preassigned    4.26, 4.30 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 210, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           15 HID  HN          5.50    (#    190:15  Preassigned    4.26, 4.30 A)
 &rst
  ixpk= 190, 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    (#    191:15  Preassigned    2.05, 2.31 A)
 &rst
  ixpk= 191, nxpk= 15, iat= 227, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HA           15 HID  HN          4.50    (#    192:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 192, nxpk= 15, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           15 HID  HN          5.50    (#    193:15  Preassigned    3.49, 3.74 A)
 &rst
  ixpk= 193, nxpk= 15, iat= 408, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           15 HID  HN          2.80    (#    195:15  Preassigned    2.23, 2.27 A)
 &rst
  ixpk= 195, 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    (#    196:15  Preassigned    3.73, 3.76 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 215, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HN          4.50    (#    197:15  Preassigned    2.71, 2.77 A)
 &rst
  ixpk= 197, nxpk= 15, iat= 214, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:198     14 HID  HN          5.50    (#    198:15  Single Ambig)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 410, 231, 860, 861,
 &end
#
#   14 VAL  HB           15 HID  HN          5.50    (#    199:15  Preassigned    3.93, 4.02 A)
 &rst
  ixpk= 199, nxpk= 15, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           15 HID  HN          4.50    (#    200:15  Preassigned    3.52, 4.53 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 427, 428,
 &end
#
#   14 VAL  QG1          15 HID  HN          4.50    (#    201:15  Preassigned    2.65, 3.24 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 200, 201, 202,
 &end
#
#   16 VAL  QG1          15 HID  HN          4.50    (#    202:15  Preassigned    3.55, 4.80 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   28 VAL  QG2          15 HID  HN          5.50    (#    203:15  Preassigned    5.49, 6.30 A)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  15-3:204     14 HID  HN          4.50    (#    204:15  Single Ambig)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 237, 238, 239, 204, 205, 206,
 &end
#
#    0 AMB  15-3:205     14 HID  HN          5.50    (#    205:15  Single Ambig)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 412, 413, 414, 996, 997, 998,1000,1001,1002,
 &end
#
#   16 VAL  QG2          16 VAL  HN          3.50    (#    206:15  Preassigned    2.03, 2.96 A)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 237, 238, 239,
 &end
#
#   16 VAL  QG1          16 VAL  HN          4.50    (#    207:15  Preassigned    2.48, 3.69 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   14 VAL  QG1          16 VAL  HN          3.50    (#    208:15  Preassigned    2.07, 3.20 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   17 LYS  HG+          16 VAL  HN          7.00    (#    209:15  Preassigned    5.65, 6.71 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 250, 251,
 &end
#
#   29 ALA  QB           16 VAL  HN          7.00    (#    210:15  Preassigned    4.68, 6.16 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 426, 427, 428,
 &end
#
#   14 VAL  HB           16 VAL  HN          5.50    (#    211:15  Preassigned    4.01, 4.46 A)
 &rst
  ixpk= 211, nxpk= 15, iat= 198, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:212     15 VAL  HN          4.50    (#    212:15  Single Ambig)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 410,
 &end
#
#   15 HID  HB2          16 VAL  HN          4.50    (#    213:15  Preassigned    3.17, 3.61 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 214, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB3          16 VAL  HN          5.50    (#    214:15  Preassigned    4.26, 4.44 A)
 &rst
  ixpk= 214, nxpk= 15, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           16 VAL  HN          4.50    (#    215:15  Preassigned    3.99, 4.14 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 196, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           16 VAL  HN          5.50    (#    216:15  Preassigned    3.86, 4.46 A)
 &rst
  ixpk= 216, nxpk= 15, iat= 408, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:217     15 VAL  HN          4.50    (#    217:15  Single Ambig)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 229, 212,
 &end
#
#   15 HID  HN           16 VAL  HN          3.50    (#    218:15  Preassigned    2.05, 2.31 A)
 &rst
  ixpk= 218, nxpk= 15, iat= 210, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LYS  HN           16 VAL  HN          5.50    (#    219:15  Preassigned    4.42, 4.54 A)
 &rst
  ixpk= 219, nxpk= 15, iat= 243, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG1          17 LYS  HN          5.50    (#    220:15  Preassigned    3.10, 4.33 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  15-3:221     16 LYS  HN          4.50    (#    221:15  Single Ambig)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 781, 782, 783, 237, 238, 239,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   48 VAL  QG2          17 LYS  HN          5.50    (#    222:15  Preassigned    3.31, 4.45 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   16 VAL  QG1          17 LYS  HN          4.50    (#    223:15  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  15-3:224     16 LYS  HN          7.00    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 777, 778, 779, 200, 201, 202,
 &end
#
#   17 LYS  HG+          17 LYS  HN          5.50    (#    225:15  Preassigned    2.68, 3.06 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#   17 LYS  HG-          17 LYS  HN          4.50    (#    226:15  Preassigned    2.68, 3.06 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#   17 LYS  QD           17 LYS  HN          5.50    (#    227:15  Preassigned    2.61, 4.94 A)
 &rst
  ixpk= 227, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   17 LYS  QB           17 LYS  HN          4.50    (#    228:15  Preassigned    3.47, 3.73 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 247, 248,
 &end
#
#   16 VAL  HB           17 LYS  HN          3.50    (#    229:15  Preassigned    2.23, 2.36 A)
 &rst
  ixpk= 229, nxpk= 15, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HB2          17 LYS  HN          5.50    (#    230:15  Preassigned    2.17, 2.42 A)
 &rst
  ixpk= 230, nxpk= 15, iat= 286, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          17 LYS  HN          4.50    (#    231:15  Preassigned    2.39, 2.52 A)
 &rst
  ixpk= 231, nxpk= 15, iat= 287, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  HA           17 LYS  HN          4.50    (#    232:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 232, nxpk= 15, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HA           17 LYS  HN          2.80    (#    233:15  Preassigned    2.34, 2.37 A)
 &rst
  ixpk= 233, nxpk= 15, iat= 229, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           17 LYS  HN          5.50    (#    234:15  Preassigned    4.42, 4.54 A)
 &rst
  ixpk= 234, nxpk= 15, iat= 227, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           17 LYS  HN          5.50    (#    235:15  Preassigned    3.48, 3.57 A)
 &rst
  ixpk= 235, nxpk= 15, iat= 282, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HN          4.50    (#    236:15  Preassigned    2.79, 2.88 A)
 &rst
  ixpk= 236, nxpk= 15, iat= 535, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HA           33 SER  HN          2.80    (#    237:15  Preassigned    2.16, 2.19 A)
 &rst
  ixpk= 237, nxpk= 15, iat= 472, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 LYS  HA           18 ALA  HN          2.80    (#    238:15  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 238, nxpk= 15, iat= 245, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  HA           18 ALA  HN          4.50    (#    239:15  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 239, nxpk= 15, iat= 267, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB3          33 SER  HN          4.50    (#    240:15  Preassigned    3.24, 3.26 A)
 &rst
  ixpk= 240, nxpk= 15, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LYS  QB           18 ALA  HN          3.50    (#    241:15  Preassigned    2.53, 3.26 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 247, 248,
 &end
#
#   18 ALA  QB           18 ALA  HN          2.80    (#    242:15  Preassigned    2.48, 2.90 A)
 &rst
  ixpk= 242, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG1          18 ALA  HN          5.50    (#    243:15  Preassigned    4.11, 5.02 A)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  15-3:244      0 AMB  15-1:244    4.50    (#    244:15  Double Ambig)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 580, 581, 582, 781, 782, 783,
 igr2= 485, 265,
 &end
#
#   48 VAL  QG2          18 ALA  HN          5.50    (#    245:15  Unique         6.27, 7.09 A)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   17 LYS  HG-          18 ALA  HN          4.50    (#    248:15  Preassigned    3.79, 4.33 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#    0 AMB  15-3:249     17 ALA  HN          5.50    (#    249:15  Single Ambig)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 231,
 &end
#
#    0 AMB  15-3:252     32 SER  HN          5.50    (#    252:15  Single Ambig)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 498,
 &end
#
#   16 VAL  HA           18 ALA  HN          7.00    (#    253:15  Preassigned    6.45, 6.51 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 229, 265, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:254      0 AMB  15-1:254    5.50    (#    254:15  Double Ambig)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 275, 451,
 igr2= 265, 485,
 &end
#
#    0 AMB  15-3:256     18 GLY  HN          4.50    (#    256:15  Single Ambig)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 705, 706, 707, 724, 725, 726,
 &end
#
#    0 AMB  15-3:257     18 GLY  HN          5.50    (#    257:15  Single Ambig)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 781, 782, 783, 712, 713, 714,
 &end
#
#   48 VAL  QG2          19 GLY  HN          5.50    (#    258:15  Preassigned    4.97, 5.47 A)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   18 ALA  QB           19 GLY  HN          4.50    (#    259:15  Preassigned    3.18, 3.90 A)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#   47 ILE  HG1-         19 GLY  HN          7.00    (#    260:15  Preassigned    6.80, 7.26 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 709, 710,
 &end
#
#   48 VAL  HB           19 GLY  HN          4.50    (#    261:15  Preassigned    2.76, 2.95 A)
 &rst
  ixpk= 261, nxpk= 15, iat= 722, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          19 GLY  HN          5.50    (#    262:15  Preassigned    4.67, 4.83 A)
 &rst
  ixpk= 262, nxpk= 15, iat= 287, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HA-          19 GLY  HN          3.50    (#    263:15  Preassigned    2.29, 2.63 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 277, 278,
 &end
#
#   18 ALA  HA           19 GLY  HN          2.80    (#    264:15  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 GLY  HA+          19 GLY  HN          4.50    (#    267:15  Preassigned    2.29, 2.63 A)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   49 LYS  HA           19 GLY  HN          5.50    (#    268:15  Preassigned    3.77, 3.92 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 736, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           19 GLY  HN          4.50    (#    269:15  Preassigned    2.56, 2.64 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 282, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           19 GLY  HN          5.50    (#    270:15  Preassigned    4.60, 4.62 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HN           19 GLY  HN          5.50    (#    271:15  Preassigned    3.74, 3.86 A)
 &rst
  ixpk= 271, nxpk= 15, iat= 718, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HN           20 ASP  HN          3.50    (#    272:15  Preassigned    2.56, 2.64 A)
 &rst
  ixpk= 272, 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    (#    273:15  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 273, nxpk= 15, iat= 718, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           20 ASP  HN          5.50    (#    274:15  Preassigned    3.48, 3.57 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 243, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HN           20 ASP  HN          5.50    (#    275:15  Preassigned    4.59, 4.62 A)
 &rst
  ixpk= 275, nxpk= 15, iat= 294, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HA           20 ASP  HN          5.50    (#    277:15  Preassigned    5.34, 5.43 A)
 &rst
  ixpk= 277, nxpk= 15, iat= 296, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HA           20 ASP  HN          4.50    (#    278:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 278, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLY  HA+          20 ASP  HN          4.50    (#    279:15  Preassigned    3.27, 3.38 A)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   19 GLY  HA-          20 ASP  HN          4.50    (#    280:15  Preassigned    3.27, 3.38 A)
 &rst
  ixpk= 280, 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    (#    281:15  Preassigned    3.32, 3.41 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          20 ASP  HN          3.50    (#    282:15  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 287, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HB2          20 ASP  HN          4.50    (#    283:15  Preassigned    2.46, 2.51 A)
 &rst
  ixpk= 283, nxpk= 15, iat= 286, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  HB           20 ASP  HN          3.50    (#    284:15  Preassigned    2.40, 2.53 A)
 &rst
  ixpk= 284, nxpk= 15, iat= 722, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 LYS  QB           20 ASP  HN          5.50    (#    285:15  Preassigned    4.85, 5.35 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
#   18 ALA  QB           20 ASP  HN          5.50    (#    286:15  Preassigned    5.14, 5.37 A)
 &rst
  ixpk= 286, 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    (#    287:15  Preassigned    4.03, 4.55 A)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 728, 729, 730,
 &end
#
#    0 AMB  15-3:288     19 ASP  HN          5.50    (#    288:15  Single Ambig)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 712, 713, 714, 781, 782, 783, 237, 238, 239,
 &end
#
#    0 AMB  15-3:289     19 ASP  HN          4.50    (#    289:15  Single Ambig)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 724, 725, 726, 705, 706, 707,
 &end
#
#   47 ILE  QG2          21 GLN  HN          5.50    (#    290:15  Preassigned    5.29, 6.54 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 705, 706, 707,
 &end
#
#   47 ILE  QD1          21 GLN  HN          5.50    (#    291:15  Preassigned    4.23, 5.36 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 712, 713, 714,
 &end
#
#   48 VAL  QG2          21 GLN  HN          5.50    (#    292:15  Preassigned    4.03, 5.16 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   17 LYS  HG-          21 GLN  HN          5.50    (#    293:15  Preassigned    5.77, 6.19 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#   21 GLN  QB           21 GLN  HN          3.50    (#    294:15  Preassigned    2.44, 2.89 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 298, 299,
 &end
#
#   21 GLN  HG+          21 GLN  HN          4.50    (#    295:15  Preassigned    4.32, 4.70 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   20 ASP  HB2          21 GLN  HN          4.50    (#    296:15  Preassigned    3.81, 3.87 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          21 GLN  HN          4.50    (#    297:15  Preassigned    3.30, 3.43 A)
 &rst
  ixpk= 297, nxpk= 15, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HA           21 GLN  HN          4.50    (#    298:15  Preassigned    2.97, 2.99 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HA           21 GLN  HN          2.80    (#    299:15  Preassigned    2.42, 2.49 A)
 &rst
  ixpk= 299, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:300     20 GLN  HN          5.50    (#    300:15  Single Ambig)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 311, 718,
 &end
#
#   21 GLN  HN           22 ILE  HN          5.50    (#    301:15  Preassigned    4.33, 4.38 A)
 &rst
  ixpk= 301, nxpk= 15, iat= 294, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HN           22 ILE  HN          4.50    (#    302:15  Preassigned    2.71, 2.82 A)
 &rst
  ixpk= 302, nxpk= 15, iat= 692, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    303:15  Preassigned    2.95, 2.97 A)
 &rst
  ixpk= 303, nxpk= 15, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HA           22 ILE  HN          2.80    (#    304:15  Preassigned    2.18, 2.21 A)
 &rst
  ixpk= 304, nxpk= 15, iat= 296, 311, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 GLN  HG+          22 ILE  HN          4.50    (#    305:15  Preassigned    2.32, 3.25 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   21 GLN  QB           22 ILE  HN          4.50    (#    306:15  Preassigned    3.97, 4.14 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 298, 299,
 &end
#
#   22 ILE  HB           22 ILE  HN          4.50    (#    307:15  Preassigned    3.86, 3.88 A)
 &rst
  ixpk= 307, nxpk= 15, iat= 315, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HG1+         22 ILE  HN          4.50    (#    309:15  Preassigned    2.33, 2.91 A)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    310:15  Preassigned    2.33, 2.91 A)
 &rst
  ixpk= 310, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   48 VAL  QG2          22 ILE  HN          5.50    (#    311:15  Preassigned    3.68, 4.67 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   22 ILE  QG2          22 ILE  HN          4.50    (#    312:15  Preassigned    2.97, 3.79 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 317, 318, 319,
 &end
#
#   68 LEU  QD2          22 ILE  HN          5.50    (#    313:15  Preassigned    4.25, 5.22 A)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   22 ILE  QD1          22 ILE  HN          5.50    (#    314:15  Preassigned    4.39, 4.86 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   22 ILE  QD1          23 GLU  HN          5.50    (#    315:15  Preassigned    4.64, 5.29 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   22 ILE  QG2          23 GLU  HN          4.50    (#    316:15  Preassigned    4.17, 4.70 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 317, 318, 319,
 &end
#
#    0 AMB  15-3:317     22 GLU  HN          7.00    (#    317:15  Single Ambig)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 416, 417, 418, 728, 729, 730,
 &end
#
#   22 ILE  HG1+         23 GLU  HN          5.50    (#    318:15  Preassigned    3.25, 3.97 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  HB           23 GLU  HN          3.50    (#    319:15  Preassigned    2.40, 2.48 A)
 &rst
  ixpk= 319, nxpk= 15, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HB3          23 GLU  HN          4.50    (#    320:15  Preassigned    2.65, 2.69 A)
 &rst
  ixpk= 320, nxpk= 15, iat= 335, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HB3          23 GLU  HN          3.50    (#    321:15  Preassigned    2.29, 2.50 A)
 &rst
  ixpk= 321, nxpk= 15, iat= 379, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HB2          23 GLU  HN          3.50    (#    323:15  Preassigned    2.20, 2.67 A)
 &rst
  ixpk= 323, nxpk= 15, iat= 378, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HG-          23 GLU  HN          5.50    (#    324:15  Preassigned    3.07, 4.42 A)
 &rst
  ixpk= 324, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 381, 382,
 &end
#
#   23 GLU  HA           23 GLU  HN          4.50    (#    325:15  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 332, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:326     22 GLU  HN          5.50    (#    326:15  Single Ambig)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 376, 637,
 &end
#
#   22 ILE  HA           23 GLU  HN          3.50    (#    327:15  Preassigned    2.35, 2.41 A)
 &rst
  ixpk= 327, nxpk= 15, iat= 313, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HE2-         23 GLU  HN          5.50    (#    328:15  Preassigned    3.80, 4.55 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   26 GLN  HE2+         23 GLU  HN          5.50    (#    329:15  Preassigned    3.80, 4.55 A)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   25 GLY  HN           24 LYS  HN          5.50    (#    330:15  Preassigned    4.55, 4.58 A)
 &rst
  ixpk= 330, nxpk= 15, iat= 367, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HA           24 LYS  HN          2.80    (#    331:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 331, nxpk= 15, iat= 332, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HA           24 LYS  HN          5.50    (#    332:15  Preassigned    3.82, 3.92 A)
 &rst
  ixpk= 332, nxpk= 15, iat= 659, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HB3          24 LYS  HN          4.50    (#    335:15  Preassigned    3.49, 3.58 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 686, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 SER  HB2          24 LYS  HN          4.50    (#    336:15  Preassigned    3.84, 3.91 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 685, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           24 LYS  HN          4.50    (#    337:15  Preassigned    2.72, 2.76 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLY  HA-          24 LYS  HN          5.50    (#    338:15  Preassigned    5.80, 6.18 A)
 &rst
  ixpk= 338, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#    0 AMB  15-3:339     23 LYS  HN          4.50    (#    339:15  Single Ambig)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 337, 338, 337, 338,
 &end
#
#   23 GLU  HB2          24 LYS  HN          4.50    (#    340:15  Preassigned    4.13, 4.19 A)
 &rst
  ixpk= 340, nxpk= 15, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HB2          24 LYS  HN          5.50    (#    341:15  Preassigned    5.50, 5.53 A)
 &rst
  ixpk= 341, nxpk= 15, iat= 661, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HB3          24 LYS  HN          3.50    (#    342:15  Preassigned    2.60, 2.64 A)
 &rst
  ixpk= 342, nxpk= 15, iat= 350, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LYS  HB2          24 LYS  HN          3.50    (#    343:15  Preassigned    2.30, 2.37 A)
 &rst
  ixpk= 343, nxpk= 15, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LYS  QG           24 LYS  HN          4.50    (#    344:15  Preassigned    4.29, 4.46 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   23 GLU  HB3          24 LYS  HN          4.50    (#    345:15  Preassigned    3.99, 4.08 A)
 &rst
  ixpk= 345, nxpk= 15, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  QG1          25 GLY  HN          4.50    (#    346:15  Preassigned    5.50, 6.06 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 625, 626, 627,
 &end
#
#   24 LYS  QG           25 GLY  HN          4.50    (#    347:15  Preassigned    2.88, 3.20 A)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   24 LYS  HB2          25 GLY  HN          5.50    (#    348:15  Preassigned    4.26, 4.33 A)
 &rst
  ixpk= 348, nxpk= 15, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  QB           25 GLY  HN          4.50    (#    349:15  Preassigned    2.54, 3.77 A)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 639, 640, 641,
 &end
#
#    0 AMB  15-3:350     24 GLY  HN          4.50    (#    350:15  Single Ambig)
 &rst
  ixpk= 350, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 350, 355, 356, 315,
 &end
#
#   41 VAL  HB           25 GLY  HN          5.50    (#    351:15  Preassigned    3.47, 3.59 A)
 &rst
  ixpk= 351, nxpk= 15, iat= 623, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HA           25 GLY  HN          2.80    (#    352:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 GLY  HA-          25 GLY  HN          3.50    (#    353:15  Preassigned    2.29, 2.62 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 369, 370,
 &end
#
#    0 AMB  15-3:354     24 GLY  HN          5.50    (#    354:15  Single Ambig)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 637, 376,
 &end
#
#   25 GLY  HA+          25 GLY  HN          4.50    (#    355:15  Preassigned    2.29, 2.62 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#    0 AMB  15-3:357     24 GLY  HN          5.50    (#    357:15  Single Ambig)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 647, 683,
 &end
#
#   44 ARG  HN           25 GLY  HN          5.50    (#    358:15  Preassigned    4.52, 4.67 A)
 &rst
  ixpk= 358, nxpk= 15, iat= 657, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HN           25 GLY  HN          4.50    (#    359:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 359, nxpk= 15, iat= 374, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  HN           25 GLY  HN          5.50    (#    360:15  Preassigned    3.43, 3.52 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 635, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           26 GLN  HN          5.50    (#    361:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 361, nxpk= 15, iat= 391, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           26 GLN  HN          3.50    (#    362:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 362, 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    (#    363:15  Preassigned    3.27, 3.42 A)
 &rst
  ixpk= 363, nxpk= 15, iat= 635, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE2+         26 GLN  HN          5.50    (#    364:15  Preassigned    5.25, 6.03 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   25 GLY  HA+          26 GLN  HN          4.50    (#    365:15  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 365, 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          4.50    (#    366:15  Preassigned    2.88, 2.89 A)
 &rst
  ixpk= 366, nxpk= 15, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           26 GLN  HN          7.00    (#    367:15  Preassigned    5.52, 5.80 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 313, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   25 GLY  HA-          26 GLN  HN          4.50    (#    369:15  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   24 LYS  HA           26 GLN  HN          4.50    (#    370:15  Preassigned    3.55, 3.63 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 347, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HG-          26 GLN  HN          4.50    (#    371:15  Preassigned    4.27, 4.46 A)
 &rst
  ixpk= 371, 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          3.50    (#    372:15  Preassigned    2.26, 2.42 A)
 &rst
  ixpk= 372, nxpk= 15, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HB3          26 GLN  HN          3.50    (#    373:15  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 379, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  QB           26 GLN  HN          4.50    (#    374:15  Preassigned    2.68, 3.77 A)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 639, 640, 641,
 &end
#
#   24 LYS  QG           26 GLN  HN          5.50    (#    375:15  Preassigned    5.15, 5.43 A)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#   28 VAL  QG2          26 GLN  HN          5.50    (#    376:15  Preassigned    4.81, 6.20 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   41 VAL  QG1          26 GLN  HN          4.50    (#    377:15  Preassigned    5.03, 5.93 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 625, 626, 627,
 &end
#
#   41 VAL  QG1          27 GLU  HN          5.50    (#    378:15  Preassigned    3.24, 4.43 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 625, 626, 627,
 &end
#
#   28 VAL  QG2          27 GLU  HN          5.50    (#    379:15  Preassigned    4.73, 6.22 A)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   23 GLU  HB3          27 GLU  HN          7.00    (#    380:15  Preassigned    6.69, 7.00 A)
 &rst
  ixpk= 380, nxpk= 15, iat= 335, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:381     26 GLU  HN          5.50    (#    381:15  Single Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 623, 593, 594,
 &end
#
#   27 GLU  HB-          27 GLU  HN          3.50    (#    382:15  Unique         2.30, 2.48 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 396,
 &end
#
#    0 AMB  15-3:383     26 GLU  HN          3.50    (#    383:15  Single Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 395, 396, 381, 382,
 &end
#
#    0 AMB  15-3:384     26 GLU  HN          4.50    (#    384:15  Single Ambig)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 381, 382, 398, 399,
 &end
#
#   26 GLN  HA           27 GLU  HN          2.80    (#    386:15  Preassigned    2.21, 2.24 A)
 &rst
  ixpk= 386, nxpk= 15, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLU  HA           27 GLU  HN          4.50    (#    387:15  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HE2+         27 GLU  HN          5.50    (#    389:15  Preassigned    3.59, 5.14 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 387,
 &end
#
#   26 GLN  HN           27 GLU  HN          5.50    (#    390:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 390, nxpk= 15, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:391     26 GLU  HN          5.50    (#    391:15  Single Ambig)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 635, 600, 619,
 &end
#
#    0 AMB  15-3:392     27 VAL  HN          5.50    (#    392:15  Single Ambig)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 600, 635, 619,
 &end
#
#   26 GLN  HN           28 VAL  HN          7.00    (#    393:15  Preassigned    6.22, 6.77 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 ALA  HN           28 VAL  HN          3.50    (#    394:15  Preassigned    1.80, 1.87 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 422, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 VAL  HA           28 VAL  HN          4.50    (#    395:15  Preassigned    2.41, 2.64 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 621, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           28 VAL  HN          4.50    (#    396:15  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 396, nxpk= 15, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HA           28 VAL  HN          3.50    (#    397:15  Preassigned    2.12, 2.17 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HG-          28 VAL  HN          5.50    (#    399:15  Preassigned    2.65, 3.09 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB+          28 VAL  HN          5.50    (#    400:15  Preassigned    2.99, 4.14 A)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 395, 396,
 &end
#
#    0 AMB  15-3:401     27 VAL  HN          5.50    (#    401:15  Single Ambig)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399, 395, 396,
 &end
#
#    0 AMB  15-3:402     27 VAL  HN          5.50    (#    402:15  Single Ambig)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 604, 639, 640, 641,
 &end
#
#    0 AMB  15-3:403     27 VAL  HN          5.50    (#    403:15  Single Ambig)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   28 VAL  QG2          28 VAL  HN          4.50    (#    404:15  Preassigned    2.12, 3.47 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  15-3:406     27 VAL  HN          3.50    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 412, 413, 414, 606, 607, 608,
 &end
#
#    0 AMB  15-3:407     28 ALA  HN          4.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 412, 413, 414, 606, 607, 608, 996, 997, 998,1000,
      1001,1002,
 &end
#
#   14 VAL  QG2          29 ALA  HN          5.50    (#    408:15  Preassigned    5.93, 6.96 A)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   28 VAL  QG2          29 ALA  HN          4.50    (#    409:15  Preassigned    2.72, 4.28 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   14 VAL  QG1          29 ALA  HN          5.50    (#    410:15  Preassigned    5.41, 6.60 A)
 &rst
  ixpk= 410, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#   40 ILE  HG1-         29 ALA  HN          5.50    (#    411:15  Preassigned    4.67, 4.94 A)
 &rst
  ixpk= 411, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 610, 611,
 &end
#
#   29 ALA  QB           29 ALA  HN          4.50    (#    412:15  Preassigned    2.97, 3.50 A)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 427, 428,
 &end
#
#   40 ILE  HB           29 ALA  HN          4.50    (#    413:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 604, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG+          29 ALA  HN          4.50    (#    414:15  Preassigned    3.13, 3.55 A)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB+          29 ALA  HN          5.50    (#    415:15  Preassigned    3.58, 5.35 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 395, 396,
 &end
#
#   27 GLU  HG-          29 ALA  HN          4.50    (#    417:15  Preassigned    3.13, 3.55 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   29 ALA  HA           29 ALA  HN          4.50    (#    418:15  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 418, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HA           29 ALA  HN          4.50    (#    420:15  Preassigned    3.64, 3.76 A)
 &rst
  ixpk= 420, nxpk= 15, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           29 ALA  HN          4.50    (#    421:15  Preassigned    3.51, 3.57 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 408, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           29 ALA  HN          5.50    (#    422:15  Preassigned    3.91, 4.00 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 621, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           29 ALA  HN          7.00    (#    423:15  Preassigned    6.90, 6.96 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 172, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 ILE  HN           29 ALA  HN          4.50    (#    424:15  Preassigned    3.03, 3.10 A)
 &rst
  ixpk= 424, nxpk= 15, iat= 600, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           29 ALA  HN          5.50    (#    425:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 432, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           29 ALA  HN          7.00    (#    426:15  Preassigned    6.53, 6.61 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 451, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   28 VAL  HN           29 ALA  HN          2.80    (#    427:15  Preassigned    1.80, 1.87 A)
 &rst
  ixpk= 427, nxpk= 15, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  QD-          30 ILE  HN          5.50    (#    428:15  Preassigned    3.29, 5.04 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   40 ILE  QG2          30 ILE  HN          5.50    (#    429:15  Preassigned    5.61, 6.31 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 606, 607, 608,
 &end
#
#   13 LYS  HG-          30 ILE  HN          7.00    (#    430:15  Preassigned    5.62, 6.10 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 179, 180,
 &end
#
#    0 AMB  15-3:431     29 ILE  HN          4.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#    0 AMB  15-3:432     29 ILE  HN          4.50    (#    432:15  Single Ambig)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 200, 201, 202,
 &end
#
#    0 AMB  15-3:433     29 ILE  HN          3.50    (#    433:15  Single Ambig)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#    0 AMB  15-3:434     29 ILE  HN          5.50    (#    434:15  Single Ambig)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611, 177, 455,
 &end
#
#   30 ILE  HB           30 ILE  HN          4.50    (#    435:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 436, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB3          30 ILE  HN          5.50    (#    436:15  Preassigned    3.91, 3.96 A)
 &rst
  ixpk= 436, nxpk= 15, iat= 153, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           30 ILE  HN          3.50    (#    437:15  Preassigned    2.52, 2.56 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HA           30 ILE  HN          4.50    (#    438:15  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HA           30 ILE  HN          5.50    (#    439:15  Preassigned    4.62, 4.70 A)
 &rst
  ixpk= 439, nxpk= 15, iat= 453, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           30 ILE  HN          4.50    (#    440:15  Preassigned    2.67, 2.72 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 172, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           30 ILE  HN          5.50    (#    441:15  Preassigned    5.38, 5.50 A)
 &rst
  ixpk= 441, nxpk= 15, iat= 210, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:442     29 ILE  HN          5.50    (#    442:15  Single Ambig)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 600,
 &end
#
#   31 LEU  HN           30 ILE  HN          5.50    (#    443:15  Preassigned    4.24, 4.28 A)
 &rst
  ixpk= 443, nxpk= 15, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           31 LEU  HN          4.50    (#    444:15  Preassigned    2.72, 2.76 A)
 &rst
  ixpk= 444, nxpk= 15, iat= 567, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           31 LEU  HN          5.50    (#    445:15  Preassigned    4.24, 4.28 A)
 &rst
  ixpk= 445, nxpk= 15, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:446     30 LEU  HN          5.50    (#    446:15  Single Ambig)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 600,
 &end
#
#   31 LEU  HA           31 LEU  HN          4.50    (#    447:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 447, nxpk= 15, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:448     30 LEU  HN          4.50    (#    448:15  Single Ambig)
 &rst
  ixpk= 448, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 596, 554, 569,
 &end
#
#   30 ILE  HA           31 LEU  HN          2.80    (#    449:15  Preassigned    2.19, 2.22 A)
 &rst
  ixpk= 449, nxpk= 15, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HA           31 LEU  HN          5.50    (#    450:15  Preassigned    4.95, 5.09 A)
 &rst
  ixpk= 450, nxpk= 15, iat= 131, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HB           31 LEU  HN          4.50    (#    451:15  Preassigned    3.60, 3.73 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 571, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB3          31 LEU  HN          4.50    (#    452:15  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 456, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:453     30 LEU  HN          5.50    (#    453:15  Single Ambig)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 436, 559, 560,
 &end
#
#    0 AMB  15-3:455     30 LEU  HN          5.50    (#    455:15  Single Ambig)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 442, 443, 474, 426, 427, 428,
 &end
#
#   31 LEU  HB2          31 LEU  HN          3.50    (#    456:15  Preassigned    2.97, 3.02 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HG1-         31 LEU  HN          5.50    (#    458:15  Preassigned    4.06, 4.54 A)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   30 ILE  QG2          31 LEU  HN          3.50    (#    459:15  Preassigned    2.60, 3.18 A)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 438, 439, 440,
 &end
#
#   40 ILE  QD1          31 LEU  HN          5.50    (#    461:15  Preassigned    4.02, 4.94 A)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 613, 614, 615,
 &end
#
#    0 AMB  15-3:462     30 LEU  HN          5.50    (#    462:15  Single Ambig)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144, 458,
 &end
#
#    0 AMB  15-3:463     31 GLU  HN          4.50    (#    463:15  Single Ambig)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 470, 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  15-3:464     31 GLU  HN          5.50    (#    464:15  Single Ambig)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
 &end
#
#   31 LEU  HB2          32 GLU  HN          4.50    (#    466:15  Preassigned    4.17, 4.23 A)
 &rst
  ixpk= 466, nxpk= 15, iat= 455, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB2          32 GLU  HN          4.50    (#    467:15  Preassigned    2.87, 2.93 A)
 &rst
  ixpk= 467, nxpk= 15, iat= 474, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HG+          32 GLU  HN          5.50    (#    468:15  Preassigned    4.35, 4.54 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   31 LEU  HB3          32 GLU  HN          5.50    (#    469:15  Preassigned    4.26, 4.34 A)
 &rst
  ixpk= 469, nxpk= 15, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HG-          32 GLU  HN          5.50    (#    470:15  Preassigned    4.35, 4.54 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   32 GLU  HB3          32 GLU  HN          4.50    (#    471:15  Preassigned    2.45, 2.48 A)
 &rst
  ixpk= 471, nxpk= 15, iat= 475, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3          32 GLU  HN          5.50    (#    472:15  Preassigned    4.58, 4.65 A)
 &rst
  ixpk= 472, nxpk= 15, iat= 120, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2          32 GLU  HN          5.50    (#    473:15  Preassigned    3.93, 4.12 A)
 &rst
  ixpk= 473, nxpk= 15, iat= 119, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          32 GLU  HN          5.50    (#    474:15  Preassigned    4.31, 4.48 A)
 &rst
  ixpk= 474, nxpk= 15, iat= 153, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          32 GLU  HN          5.50    (#    475:15  Preassigned    2.95, 3.08 A)
 &rst
  ixpk= 475, nxpk= 15, iat= 152, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           32 GLU  HN          5.50    (#    476:15  Preassigned    3.21, 3.56 A)
 &rst
  ixpk= 476, nxpk= 15, iat= 131, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HA           32 GLU  HN          5.50    (#    477:15  Preassigned    4.67, 4.71 A)
 &rst
  ixpk= 477, nxpk= 15, iat= 554, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HA           32 GLU  HN          3.50    (#    478:15  Preassigned    2.20, 2.21 A)
 &rst
  ixpk= 478, nxpk= 15, iat= 453, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HA           32 GLU  HN          4.50    (#    479:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 479, nxpk= 15, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           32 GLU  HN          5.50    (#    480:15  Preassigned    4.32, 4.37 A)
 &rst
  ixpk= 480, nxpk= 15, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN           32 GLU  HN          4.50    (#    481:15  Preassigned    2.73, 2.84 A)
 &rst
  ixpk= 481, nxpk= 15, iat= 115, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           32 GLU  HN          5.50    (#    482:15  Preassigned    4.33, 4.38 A)
 &rst
  ixpk= 482, nxpk= 15, iat= 451, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           33 SER  HN          5.50    (#    483:15  Preassigned    4.66, 4.77 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 567, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 LYS  HN           33 SER  HN          5.50    (#    484:15  Preassigned    4.12, 4.28 A)
 &rst
  ixpk= 484, nxpk= 15, iat= 513, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HA           33 SER  HN          7.00    (#    485:15  Preassigned    5.91, 5.94 A)
 &rst
  ixpk= 485, nxpk= 15, iat= 453, 485, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   33 SER  HA           33 SER  HN          4.50    (#    486:15  Preassigned    2.81, 2.83 A)
 &rst
  ixpk= 486, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HA+          33 SER  HN          5.50    (#    487:15  Preassigned    5.11, 5.51 A)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   36 MET  HB2          33 SER  HN          5.50    (#    488:15  Preassigned    4.02, 4.13 A)
 &rst
  ixpk= 488, nxpk= 15, iat= 539, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HB3          33 SER  HN          5.50    (#    489:15  Preassigned    4.96, 5.07 A)
 &rst
  ixpk= 489, nxpk= 15, iat= 540, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HG-          33 SER  HN          5.50    (#    490:15  Preassigned    3.09, 3.40 A)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG+          33 SER  HN          4.50    (#    491:15  Preassigned    3.09, 3.40 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:492     32 SER  HN          5.50    (#    492:15  Single Ambig)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 577, 578,
 &end
#
#    0 AMB  15-3:493     32 SER  HN          5.50    (#    493:15  Single Ambig)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1, 485, 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  QB           34 MET  HN          5.50    (#    494:15  Preassigned    2.76, 3.60 A)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 500, 501,
 &end
#
#   34 MET  HG-          34 MET  HN          5.50    (#    495:15  Preassigned    2.53, 3.52 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   34 MET  HG+          34 MET  HN          5.50    (#    496:15  Preassigned    2.53, 3.52 A)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#   33 SER  HB3          34 MET  HN          5.50    (#    497:15  Preassigned    3.18, 3.33 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2          34 MET  HN          5.50    (#    498:15  Preassigned    3.87, 3.93 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 489, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HA           34 MET  HN          4.50    (#    499:15  Preassigned    2.26, 2.27 A)
 &rst
  ixpk= 499, nxpk= 15, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HA           34 MET  HN          4.50    (#    501:15  Preassigned    2.49, 2.52 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HN           34 MET  HN          5.50    (#    502:15  Preassigned    2.84, 2.94 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           35 LYS  HN          5.50    (#    503:15  Preassigned    2.84, 2.94 A)
 &rst
  ixpk= 503, nxpk= 15, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           35 LYS  HN          4.50    (#    504:15  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 535, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 MET  HA           35 LYS  HN          5.50    (#    505:15  Preassigned    2.64, 2.81 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 LYS  HA           35 LYS  HN          3.50    (#    506:15  Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 MET  QB           35 LYS  HN          5.50    (#    507:15  Preassigned    4.23, 4.48 A)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 500, 501,
 &end
#
#   32 GLU  HG-          35 LYS  HN          5.50    (#    508:15  Preassigned    4.62, 5.32 A)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG+          35 LYS  HN          5.50    (#    509:15  Preassigned    4.62, 5.32 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   38 ILE  QD1          36 MET  HN          5.50    (#    511:15  Preassigned    3.87, 4.59 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   35 LYS  HG+          36 MET  HN          5.50    (#    512:15  Preassigned    5.02, 5.25 A)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 520, 521,
 &end
#
#    0 AMB  15-3:513     35 MET  HN          5.50    (#    513:15  Single Ambig)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 477, 478, 523, 524,
 &end
#
#   36 MET  HB3          36 MET  HN          4.50    (#    514:15  Preassigned    3.74, 3.79 A)
 &rst
  ixpk= 514, nxpk= 15, iat= 540, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB2          36 MET  HN          3.50    (#    515:15  Preassigned    2.63, 2.69 A)
 &rst
  ixpk= 515, nxpk= 15, iat= 539, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:516     35 MET  HN          4.50    (#    516:15  Single Ambig)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 542, 543, 503, 504,
 &end
#
#   33 SER  HB3          36 MET  HN          5.50    (#    517:15  Preassigned    4.98, 5.04 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 490, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 LYS  HA           36 MET  HN          4.50    (#    518:15  Preassigned    2.81, 2.86 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 515, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 MET  HA           36 MET  HN          5.50    (#    519:15  Preassigned    4.52, 4.56 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HA           36 MET  HN          4.50    (#    520:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 520, nxpk= 15, iat= 537, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HA           36 MET  HN          5.50    (#    521:15  Preassigned    4.09, 4.26 A)
 &rst
  ixpk= 521, nxpk= 15, iat= 487, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           36 MET  HN          5.50    (#    522:15  Preassigned    4.27, 4.44 A)
 &rst
  ixpk= 522, nxpk= 15, iat= 472, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           36 MET  HN          5.50    (#    524:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 524, nxpk= 15, iat= 552, 535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           36 MET  HN          4.50    (#    525:15  Preassigned    2.79, 2.88 A)
 &rst
  ixpk= 525, nxpk= 15, iat= 485, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HN           36 MET  HN          4.50    (#    526:15  Preassigned    2.79, 2.83 A)
 &rst
  ixpk= 526, nxpk= 15, iat= 513, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HN           37 GLU  HN          5.50    (#    527:15  Preassigned    4.28, 4.33 A)
 &rst
  ixpk= 527, nxpk= 15, iat= 567, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           37 GLU  HN          5.50    (#    528:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 528, nxpk= 15, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HA           37 GLU  HN          2.80    (#    529:15  Preassigned    2.44, 2.51 A)
 &rst
  ixpk= 529, nxpk= 15, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 MET  HB2          37 GLU  HN          5.50    (#    531:15  Preassigned    3.47, 3.55 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 539, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:532     36 GLU  HN          3.50    (#    532:15  Single Ambig)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 540, 559, 560,
 &end
#
#   37 GLU  HB2          37 GLU  HN          3.50    (#    533:15  Preassigned    2.59, 2.75 A)
 &rst
  ixpk= 533, nxpk= 15, iat= 556, 552, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 GLU  HG-          37 GLU  HN          5.50    (#    534:15  Preassigned    3.34, 4.25 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 560,
 &end
#
#   38 ILE  HG1+         37 GLU  HN          5.50    (#    535:15  Preassigned    3.80, 4.82 A)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 577, 578,
 &end
#
#   30 ILE  QG2          37 GLU  HN          5.50    (#    536:15  Preassigned    5.89, 6.24 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  QD1          37 GLU  HN          5.50    (#    537:15  Preassigned    3.82, 4.58 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#    0 AMB  15-3:538     37 ILE  HN          5.50    (#    538:15  Single Ambig)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1, 567, 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          38 ILE  HN          5.50    (#    539:15  Preassigned    2.45, 3.49 A)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   30 ILE  QG2          38 ILE  HN          4.50    (#    540:15  Preassigned    2.89, 3.57 A)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  QG2          38 ILE  HN          5.50    (#    541:15  Preassigned    4.39, 4.71 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 573, 574, 575,
 &end
#
#   38 ILE  HG1-         38 ILE  HN          4.50    (#    542:15  Preassigned    3.56, 4.02 A)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 577, 578,
 &end
#
#   38 ILE  HG1+         38 ILE  HN          4.50    (#    543:15  Preassigned    3.56, 4.02 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 577, 578,
 &end
#
#   31 LEU  HB2          38 ILE  HN          5.50    (#    544:15  Preassigned    4.95, 5.03 A)
 &rst
  ixpk= 544, nxpk= 15, iat= 455, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:545     37 ILE  HN          4.50    (#    545:15  Single Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 560, 436,
 &end
#
#    0 AMB  15-3:546     37 ILE  HN          4.50    (#    546:15  Single Ambig)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 557, 456,
 &end
#
#   38 ILE  HB           38 ILE  HN          3.50    (#    547:15  Preassigned    2.64, 2.72 A)
 &rst
  ixpk= 547, nxpk= 15, iat= 571, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 GLU  HG+          38 ILE  HN          5.50    (#    548:15  Preassigned    4.29, 4.70 A)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 560,
 &end
#
#   39 PRO  HD+          38 ILE  HN          5.50    (#    549:15  Preassigned    4.46, 4.81 A)
 &rst
  ixpk= 549, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 587, 588,
 &end
#
#   30 ILE  HA           38 ILE  HN          5.50    (#    550:15  Preassigned    4.38, 4.43 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 434, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:551     37 ILE  HN          2.80    (#    551:15  Single Ambig)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 554, 569,
 &end
#
#   31 LEU  HA           38 ILE  HN          5.50    (#    552:15  Preassigned    4.70, 4.74 A)
 &rst
  ixpk= 552, nxpk= 15, iat= 453, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           38 ILE  HN          5.50    (#    553:15  Preassigned    3.64, 3.70 A)
 &rst
  ixpk= 553, nxpk= 15, iat= 472, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           38 ILE  HN          5.50    (#    554:15  Preassigned    4.28, 4.33 A)
 &rst
  ixpk= 554, nxpk= 15, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           38 ILE  HN          4.50    (#    555:15  Preassigned    2.72, 2.76 A)
 &rst
  ixpk= 555, nxpk= 15, iat= 451, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HN           40 ILE  HN          4.50    (#    556:15  Preassigned    4.53, 4.54 A)
 &rst
  ixpk= 556, nxpk= 15, iat= 451, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           40 ILE  HN          4.50    (#    557:15  Preassigned    3.03, 3.10 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 422, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HA           40 ILE  HN          2.80    (#    558:15  Preassigned    2.23, 2.25 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HA           40 ILE  HN          4.50    (#    559:15  Preassigned    2.82, 2.89 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 434, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  HA           40 ILE  HN          4.50    (#    560:15  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 560, nxpk= 15, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HA           40 ILE  HN          5.50    (#    561:15  Preassigned    4.81, 4.86 A)
 &rst
  ixpk= 561, nxpk= 15, iat= 424, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          40 ILE  HN          4.50    (#    562:15  Preassigned    2.93, 3.33 A)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 594,
 &end
#
#   27 GLU  HG-          40 ILE  HN          5.50    (#    563:15  Preassigned    2.93, 3.81 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   27 GLU  HG+          40 ILE  HN          5.50    (#    565:15  Preassigned    2.93, 3.81 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#    0 AMB  15-3:566     39 ILE  HN          5.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 395, 396, 590, 591,
 &end
#
#   39 PRO  HB-          40 ILE  HN          4.50    (#    567:15  Preassigned    2.93, 3.33 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 593, 594,
 &end
#
#   40 ILE  HB           40 ILE  HN          3.50    (#    568:15  Preassigned    2.52, 2.58 A)
 &rst
  ixpk= 568, nxpk= 15, iat= 604, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:569     39 ILE  HN          5.50    (#    569:15  Single Ambig)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 442, 443, 426, 427, 428,
 &end
#
#   40 ILE  QG2          40 ILE  HN          4.50    (#    570:15  Preassigned    4.29, 4.64 A)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 606, 607, 608,
 &end
#
#    0 AMB  15-3:571     39 ILE  HN          5.50    (#    571:15  Single Ambig)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440, 445, 446, 447,
 &end
#
#   40 ILE  HG1+         40 ILE  HN          4.50    (#    572:15  Preassigned    2.86, 3.60 A)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#   40 ILE  HG1-         40 ILE  HN          4.50    (#    573:15  Preassigned    2.86, 3.60 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 611,
 &end
#
#   40 ILE  QG2          41 VAL  HN          4.50    (#    575:15  Preassigned    2.93, 3.63 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 606, 607, 608,
 &end
#
#   41 VAL  QG2          41 VAL  HN          4.50    (#    576:15  Preassigned    2.22, 3.04 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 629, 630, 631,
 &end
#
#   40 ILE  HG1-         41 VAL  HN          5.50    (#    577:15  Preassigned    5.16, 5.38 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 610, 611,
 &end
#
#   40 ILE  HB           41 VAL  HN          5.50    (#    578:15  Preassigned    4.12, 4.22 A)
 &rst
  ixpk= 578, nxpk= 15, iat= 604, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           41 VAL  HN          4.50    (#    579:15  Preassigned    3.74, 3.76 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  HA           41 VAL  HN          2.80    (#    580:15  Preassigned    2.13, 2.17 A)
 &rst
  ixpk= 580, nxpk= 15, iat= 602, 619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 VAL  HA           41 VAL  HN          5.50    (#    581:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 581, nxpk= 15, iat= 621, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           42 ALA  HN          5.50    (#    582:15  Preassigned    3.75, 4.30 A)
 &rst
  ixpk= 582, nxpk= 15, iat= 406, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           42 ALA  HN          5.50    (#    583:15  Preassigned    4.82, 4.92 A)
 &rst
  ixpk= 583, nxpk= 15, iat= 391, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           42 ALA  HN          4.50    (#    584:15  Preassigned    3.43, 3.52 A)
 &rst
  ixpk= 584, nxpk= 15, iat= 367, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           42 ALA  HN          5.50    (#    585:15  Preassigned    3.27, 3.42 A)
 &rst
  ixpk= 585, nxpk= 15, iat= 374, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HA           42 ALA  HN          2.80    (#    586:15  Preassigned    2.31, 2.34 A)
 &rst
  ixpk= 586, nxpk= 15, iat= 621, 635, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLU  HA           42 ALA  HN          4.50    (#    587:15  Preassigned    3.78, 3.98 A)
 &rst
  ixpk= 587, nxpk= 15, iat= 393, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HA           42 ALA  HN          5.50    (#    588:15  Preassigned    5.50, 5.54 A)
 &rst
  ixpk= 588, nxpk= 15, iat= 647, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           42 ALA  HN          7.00    (#    590:15  Preassigned    6.29, 6.38 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 602, 635, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   25 GLY  HA-          42 ALA  HN          5.50    (#    591:15  Preassigned    4.06, 4.76 A)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   24 LYS  HA           42 ALA  HN          5.50    (#    592:15  Preassigned    4.63, 4.74 A)
 &rst
  ixpk= 592, nxpk= 15, iat= 347, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:593     41 ALA  HN          5.50    (#    593:15  Single Ambig)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 381, 382, 395, 396,
 &end
#
#   26 GLN  HB3          42 ALA  HN          5.50    (#    594:15  Preassigned    3.53, 3.66 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 379, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           42 ALA  HN          4.50    (#    596:15  Preassigned    2.52, 2.61 A)
 &rst
  ixpk= 596, nxpk= 15, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  QB           42 ALA  HN          3.50    (#    598:15  Preassigned    2.36, 2.82 A)
 &rst
  ixpk= 598, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 639, 640, 641,
 &end
#
#   22 ILE  HG1+         42 ALA  HN          5.50    (#    601:15  Preassigned    5.49, 6.37 A)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1-         42 ALA  HN          5.50    (#    602:15  Preassigned    5.49, 6.37 A)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   28 VAL  QG2          42 ALA  HN          4.50    (#    603:15  Preassigned    2.34, 3.47 A)
 &rst
  ixpk= 603, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   41 VAL  QG1          42 ALA  HN          3.50    (#    604:15  Preassigned    4.07, 4.70 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 625, 626, 627,
 &end
#
#   28 VAL  QG1          42 ALA  HN          4.50    (#    605:15  Preassigned    3.12, 4.70 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#   22 ILE  QD1          43 ASP  HN          5.50    (#    606:15  Preassigned    4.62, 5.32 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  15-3:607     42 ASP  HN          5.50    (#    607:15  Single Ambig)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#    3 VAL  QG2          43 ASP  HN          5.50    (#    608:15  Preassigned    2.41, 3.44 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#    3 VAL  QG1          43 ASP  HN          5.50    (#    609:15  Preassigned    1.95, 2.75 A)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   24 LYS  QG           43 ASP  HN          5.50    (#    610:15  Preassigned    5.19, 6.12 A)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#   42 ALA  QB           43 ASP  HN          4.50    (#    611:15  Preassigned    3.42, 4.07 A)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 639, 640, 641,
 &end
#
#   43 ASP  HB3          43 ASP  HN          4.50    (#    612:15  Preassigned    2.32, 2.41 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 650, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASP  HB2          43 ASP  HN          5.50    (#    613:15  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 613, nxpk= 15, iat= 649, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  HA           43 ASP  HN          3.50    (#    614:15  Preassigned    2.19, 2.20 A)
 &rst
  ixpk= 614, nxpk= 15, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:615     42 ASP  HN          5.50    (#    615:15  Single Ambig)
 &rst
  ixpk= 615, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  20, 659,
 &end
#
#   44 ARG  HN           43 ASP  HN          4.50    (#    618:15  Preassigned    2.59, 2.63 A)
 &rst
  ixpk= 618, nxpk= 15, iat= 657, 645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:619     42 ASP  HN          5.50    (#    619:15  Single Ambig)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 635, 619,
 &end
#
#   43 ASP  HN           44 ARG  HN          4.50    (#    620:15  Preassigned    2.59, 2.63 A)
 &rst
  ixpk= 620, nxpk= 15, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  HN           44 ARG  HN          5.50    (#    621:15  Preassigned    5.31, 5.43 A)
 &rst
  ixpk= 621, nxpk= 15, iat= 635, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HN           44 ARG  HN          5.50    (#    622:15  Preassigned    4.31, 4.33 A)
 &rst
  ixpk= 622, nxpk= 15, iat= 681, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           44 ARG  HN          4.50    (#    624:15  Preassigned    3.47, 3.50 A)
 &rst
  ixpk= 624, nxpk= 15, iat= 647, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HA           44 ARG  HN          4.50    (#    625:15  Preassigned    2.87, 2.90 A)
 &rst
  ixpk= 625, nxpk= 15, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLY  HA+          44 ARG  HN          7.00    (#    626:15  Preassigned    6.69, 7.17 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 369, 370,
 &end
#
#   42 ALA  HA           44 ARG  HN          5.50    (#    627:15  Preassigned    3.49, 3.61 A)
 &rst
  ixpk= 627, nxpk= 15, iat= 637, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HA           44 ARG  HN          5.50    (#    628:15  Preassigned    3.41, 3.56 A)
 &rst
  ixpk= 628, nxpk= 15, iat= 347, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  QD           44 ARG  HN          5.50    (#    629:15  Preassigned    2.19, 4.84 A)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   43 ASP  HB2          44 ARG  HN          5.50    (#    630:15  Preassigned    4.18, 4.21 A)
 &rst
  ixpk= 630, nxpk= 15, iat= 649, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HB3          44 ARG  HN          5.50    (#    631:15  Preassigned    2.99, 3.11 A)
 &rst
  ixpk= 631, nxpk= 15, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HB2          44 ARG  HN          5.50    (#    632:15  Preassigned    3.93, 3.97 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 661, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HB3          44 ARG  HN          4.50    (#    633:15  Unique         3.39, 3.48 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 662, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  QB           44 ARG  HN          3.50    (#    634:15  Preassigned    2.71, 3.73 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 639, 640, 641,
 &end
#
#   44 ARG  HG-          44 ARG  HN          5.50    (#    635:15  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 664, 665,
 &end
#
#   24 LYS  QG           44 ARG  HN          5.50    (#    636:15  Preassigned    3.94, 4.96 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#    3 VAL  QG1          44 ARG  HN          5.50    (#    637:15  Preassigned    4.17, 4.92 A)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2          44 ARG  HN          5.50    (#    638:15  Preassigned    2.96, 3.81 A)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   66 LEU  QD-          44 ARG  HN          5.50    (#    639:15  Preassigned    5.58, 7.25 A)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  15-3:640     43 ARG  HN          5.50    (#    640:15  Single Ambig)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051, 324, 325, 326,
 &end
#
#   68 LEU  QD1          45 SER  HN          5.50    (#    641:15  Preassigned    5.05, 5.76 A)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1049,1050,1051,
 &end
#
#   24 LYS  QG           45 SER  HN          5.50    (#    642:15  Preassigned    4.39, 5.31 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#   44 ARG  HG-          45 SER  HN          5.50    (#    643:15  Preassigned    3.74, 4.36 A)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 664, 665,
 &end
#
#    0 AMB  15-3:644     44 SER  HN          4.50    (#    644:15  Single Ambig)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 349, 664, 665,
 &end
#
#   44 ARG  HB3          45 SER  HN          4.50    (#    645:15  Preassigned    3.76, 3.92 A)
 &rst
  ixpk= 645, nxpk= 15, iat= 662, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HB2          45 SER  HN          4.50    (#    646:15  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 646, nxpk= 15, iat= 661, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  QD           45 SER  HN          5.50    (#    647:15  Preassigned    5.07, 5.67 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668,
 &end
#
#   24 LYS  HA           45 SER  HN          5.50    (#    648:15  Preassigned    3.84, 4.09 A)
 &rst
  ixpk= 648, nxpk= 15, iat= 347, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HB2          45 SER  HN          4.50    (#    649:15  Preassigned    2.49, 2.55 A)
 &rst
  ixpk= 649, nxpk= 15, iat= 685, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 SER  HB3          45 SER  HN          4.50    (#    650:15  Preassigned    3.50, 3.53 A)
 &rst
  ixpk= 650, nxpk= 15, iat= 686, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HA           45 SER  HN          3.50    (#    651:15  Preassigned    2.34, 2.39 A)
 &rst
  ixpk= 651, nxpk= 15, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 SER  HA           45 SER  HN          4.50    (#    653:15  Preassigned    2.84, 2.88 A)
 &rst
  ixpk= 653, nxpk= 15, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           45 SER  HN          5.50    (#    655:15  Preassigned    4.31, 4.33 A)
 &rst
  ixpk= 655, nxpk= 15, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HN           46 GLY  HN          4.50    (#    657:15  Preassigned    2.71, 2.82 A)
 &rst
  ixpk= 657, nxpk= 15, iat= 311, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           46 GLY  HN          5.50    (#    658:15  Preassigned    4.36, 4.39 A)
 &rst
  ixpk= 658, nxpk= 15, iat= 699, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HE2-         46 GLY  HN          5.50    (#    659:15  Preassigned    2.44, 4.17 A)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 306, 307,
 &end
#
#   21 GLN  HE2+         46 GLY  HN          5.50    (#    660:15  Preassigned    2.44, 4.17 A)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 306, 307,
 &end
#
#   22 ILE  HA           46 GLY  HN          5.50    (#    661:15  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 661, nxpk= 15, iat= 313, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HA           46 GLY  HN          3.50    (#    662:15  Preassigned    2.33, 2.39 A)
 &rst
  ixpk= 662, nxpk= 15, iat= 683, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+          46 GLY  HN          4.50    (#    663:15  Preassigned    2.70, 2.82 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 694, 695,
 &end
#
#    0 AMB  15-3:664     45 GLY  HN          4.50    (#    664:15  Single Ambig)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 694, 695, 686,
 &end
#
#   45 SER  HB2          46 GLY  HN          4.50    (#    665:15  Preassigned    3.66, 3.72 A)
 &rst
  ixpk= 665, nxpk= 15, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:666     45 GLY  HN          5.50    (#    666:15  Single Ambig)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 337, 338, 337, 338, 378,
 &end
#
#    0 AMB  15-3:667     45 GLY  HN          5.50    (#    667:15  Single Ambig)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 334, 298, 299,
 &end
#
#   22 ILE  HB           46 GLY  HN          5.50    (#    668:15  Preassigned    4.75, 4.90 A)
 &rst
  ixpk= 668, nxpk= 15, iat= 315, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:669     45 GLY  HN          5.50    (#    669:15  Single Ambig)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 664, 665, 709, 710, 349,
 &end
#
#   22 ILE  HG1+         46 GLY  HN          4.50    (#    670:15  Preassigned    2.78, 3.04 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1-         46 GLY  HN          4.50    (#    671:15  Preassigned    2.78, 3.04 A)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  QG2          46 GLY  HN          5.50    (#    673:15  Preassigned    5.11, 5.81 A)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QD1          46 GLY  HN          5.50    (#    674:15  Preassigned    4.43, 5.17 A)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1, 692, 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    (#    675:15  Preassigned    3.85, 5.14 A)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   68 LEU  QD2           0 AMB  15-1:676    5.50    (#    676:15  Single Ambig)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053,1054,1055,
 igr2= 699,1025,
 &end
#
#    0 AMB  15-3:677      0 AMB  15-1:677    4.50    (#    677:15  Double Ambig)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 724, 725, 726, 705, 706, 707,
 igr2=1025, 699,
 &end
#
#    0 AMB  15-3:678      0 AMB  15-1:678    4.50    (#    678:15  Double Ambig)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 712, 713, 714,
 igr2=1025, 699,
 &end
#
#   48 VAL  QG2           0 AMB  15-1:679    5.50    (#    679:15  Single Ambig)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 728, 729, 730,
 igr2=1025, 699,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          4.50    (#    680:15  Preassigned    2.56, 3.33 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#    0 AMB  15-3:681     66 GLU  HN          5.50    (#    681:15  Single Ambig)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 794, 795,  10,  11,  12,
 &end
#
#    0 AMB  15-3:682      0 AMB  15-1:682    4.50    (#    682:15  Double Ambig)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 709, 710,1013, 797, 798,
 igr2= 699,1025,
 &end
#
#    0 AMB  15-3:683     46 ILE  HN          3.50    (#    683:15  Single Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 703,1045,
 &end
#
#    0 AMB  15-3:684     66 GLU  HN          3.50    (#    684:15  Single Ambig)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1010,1030,
 &end
#
#    0 AMB  15-3:685      0 AMB  15-1:685    5.50    (#    685:15  Double Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1047, 994,
 igr2=1025, 699,
 &end
#
#   52 LYS  HG-          67 GLU  HN          5.50    (#    686:15  Preassigned    3.14, 4.27 A)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 794, 795,
 &end
#
#   67 GLU  HB2          67 GLU  HN          4.50    (#    687:15  Preassigned    2.47, 3.07 A)
 &rst
  ixpk= 687, nxpk= 15, iat=1029,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HG+          67 GLU  HN          4.50    (#    688:15  Preassigned    2.42, 4.42 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1032,1033,
 &end
#
#    0 AMB  15-3:689     66 GLU  HN          5.50    (#    689:15  Single Ambig)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 763, 764, 760,
 &end
#
#   45 SER  HB2          47 ILE  HN          7.00    (#    692:15  Preassigned    6.74, 6.81 A)
 &rst
  ixpk= 692, nxpk= 15, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   46 GLY  HA-          47 ILE  HN          3.50    (#    693:15  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 694, 695,
 &end
#
#   46 GLY  HA+          47 ILE  HN          3.50    (#    694:15  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 694, 695,
 &end
#
#   51 VAL  HA           67 GLU  HN          5.50    (#    695:15  Preassigned    3.26, 3.45 A)
 &rst
  ixpk= 695, nxpk= 15, iat= 773,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           47 ILE  HN          5.50    (#    696:15  Preassigned    2.86, 4.17 A)
 &rst
  ixpk= 696, nxpk= 15, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1064,
 &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    697:15  Preassigned    2.93, 2.97 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 701, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HA           67 GLU  HN          3.50    (#    698:15  Preassigned    2.31, 2.42 A)
 &rst
  ixpk= 698, nxpk= 15, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HN           67 GLU  HN          4.50    (#    699:15  Preassigned    2.77, 2.84 A)
 &rst
  ixpk= 699, nxpk= 15, iat= 756,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN           67 GLU  HN          5.50    (#    700:15  Preassigned    4.38, 4.40 A)
 &rst
  ixpk= 700, nxpk= 15, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HN           67 GLU  HN          5.50    (#    702:15  Preassigned    4.80, 5.03 A)
 &rst
  ixpk= 702, nxpk= 15, iat=  18,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           67 GLU  HN          5.50    (#    704:15  Preassigned    4.31, 4.64 A)
 &rst
  ixpk= 704, nxpk= 15, iat= 787,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           67 GLU  HN          7.00    (#    705:15  Preassigned    6.18, 6.36 A)
 &rst
  ixpk= 705, nxpk= 15, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   48 VAL  HN           47 ILE  HN          5.50    (#    706:15  Preassigned    4.36, 4.46 A)
 &rst
  ixpk= 706, nxpk= 15, iat= 718, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN            0 AMB  15-1:707    5.50    (#    707:15  Single Ambig)
 &rst
  ixpk= 707, nxpk= 15, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1025, 699,
 &end
#
#   49 LYS  HN           48 VAL  HN          5.50    (#    708:15  Preassigned    4.26, 4.38 A)
 &rst
  ixpk= 708, nxpk= 15, iat= 734, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HN           48 VAL  HN          5.50    (#    709:15  Preassigned    3.74, 3.86 A)
 &rst
  ixpk= 709, nxpk= 15, iat= 275, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           48 VAL  HN          5.50    (#    710:15  Preassigned    4.36, 4.46 A)
 &rst
  ixpk= 710, nxpk= 15, iat= 699, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           48 VAL  HN          5.50    (#    711:15  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 711, nxpk= 15, iat= 282, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:712     47 VAL  HN          3.50    (#    712:15  Single Ambig)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 701, 296,
 &end
#
#   20 ASP  HA           48 VAL  HN          5.50    (#    713:15  Preassigned    4.75, 4.83 A)
 &rst
  ixpk= 713, nxpk= 15, iat= 284, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           48 VAL  HN          5.50    (#    714:15  Preassigned    5.16, 5.31 A)
 &rst
  ixpk= 714, nxpk= 15, iat= 736, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           48 VAL  HN          4.50    (#    715:15  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 715, nxpk= 15, iat= 720, 718, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLY  HA-          48 VAL  HN          5.50    (#    716:15  Preassigned    4.26, 5.10 A)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 277, 278,
 &end
#
#   48 VAL  HB           48 VAL  HN          3.50    (#    717:15  Preassigned    2.36, 2.44 A)
 &rst
  ixpk= 717, nxpk= 15, iat= 722, 718, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HB2          48 VAL  HN          5.50    (#    718:15  Preassigned    5.03, 5.25 A)
 &rst
  ixpk= 718, nxpk= 15, iat= 286, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          48 VAL  HN          5.50    (#    719:15  Preassigned    3.68, 3.90 A)
 &rst
  ixpk= 719, nxpk= 15, iat= 287, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:720     47 VAL  HN          5.50    (#    720:15  Single Ambig)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 738,
 &end
#
#    0 AMB  15-3:721     47 VAL  HN          5.50    (#    721:15  Single Ambig)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 709, 710, 250, 251, 739,
 &end
#
#   18 ALA  QB           48 VAL  HN          7.00    (#    722:15  Preassigned    6.69, 7.38 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 269, 270, 271,
 &end
#
#   68 LEU  HG           48 VAL  HN          7.00    (#    723:15  Preassigned    6.30, 6.60 A)
 &rst
  ixpk= 723, nxpk= 15, iat=1047, 718, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:725     47 VAL  HN          5.50    (#    725:15  Single Ambig)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 321, 322, 709, 710,
 &end
#
#   68 LEU  QD2          48 VAL  HN          5.50    (#    726:15  Preassigned    3.81, 4.44 A)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   47 ILE  QG2          48 VAL  HN          4.50    (#    727:15  Preassigned    2.79, 3.48 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 705, 706, 707,
 &end
#
#    0 AMB  15-3:728     47 VAL  HN          5.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 712, 713, 714,1015,1016,1017,1019,1020,1021,1015,
      1016,1017,1019,1020,1021,
 &end
#
#   48 VAL  QG2          48 VAL  HN          3.50    (#    729:15  Preassigned    2.12, 3.05 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 728, 729, 730,
 &end
#
#   68 LEU  QD2          49 LYS  HN          4.50    (#    730:15  Preassigned    2.92, 4.12 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1053,1054,1055,
 &end
#
#   48 VAL  QG1          49 LYS  HN          4.50    (#    731:15  Preassigned    3.43, 4.11 A)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  15-3:732     48 LYS  HN          5.50    (#    732:15  Single Ambig)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   48 VAL  QG2          49 LYS  HN          5.50    (#    733:15  Preassigned    4.53, 5.21 A)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#    0 AMB  15-3:734     48 LYS  HN          5.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 741, 742, 269, 270, 271,
 &end
#
#   49 LYS  HB3          49 LYS  HN          4.50    (#    735:15  Preassigned    2.29, 2.45 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 739, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HB2          49 LYS  HN          4.50    (#    736:15  Preassigned    2.48, 2.64 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 738, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:737     48 LYS  HN          5.50    (#    737:15  Single Ambig)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1030,1010,
 &end
#
#   67 GLU  HB2          49 LYS  HN          7.00    (#    738:15  Preassigned    4.19, 5.66 A)
 &rst
  ixpk= 738, nxpk= 15, iat=1029, 734, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   48 VAL  HB           49 LYS  HN          5.50    (#    739:15  Preassigned    4.36, 4.44 A)
 &rst
  ixpk= 739, nxpk= 15, iat= 722, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           49 LYS  HN          3.50    (#    740:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 740, nxpk= 15, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           49 LYS  HN          4.50    (#    741:15  Preassigned    2.89, 2.93 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HA           49 LYS  HN          4.50    (#    742:15  Preassigned    1.93, 2.04 A)
 &rst
  ixpk= 742, nxpk= 15, iat=1042, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HN          3.50    (#    743:15  Preassigned    2.26, 2.41 A)
 &rst
  ixpk= 743, nxpk= 15, iat= 756, 734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:744     48 LYS  HN          5.50    (#    744:15  Single Ambig)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1025, 699,
 &end
#
#   69 SER  HN           49 LYS  HN          4.50    (#    745:15  Preassigned    2.90, 3.24 A)
 &rst
  ixpk= 745, nxpk= 15, iat=1059, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  QD2          50 GLU  HN          5.50    (#    746:15  Preassigned    4.31, 5.72 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   48 VAL  QG1          50 GLU  HN          4.50    (#    747:15  Preassigned    2.98, 3.75 A)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 724, 725, 726,
 &end
#
#    0 AMB  15-3:748     49 GLU  HN          5.50    (#    748:15  Single Ambig)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021, 781, 782, 783,
 &end
#
#   48 VAL  QG2          50 GLU  HN          5.50    (#    749:15  Preassigned    5.46, 6.10 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 728, 729, 730,
 &end
#
#   51 VAL  QG1          50 GLU  HN          7.00    (#    750:15  Preassigned    6.65, 7.32 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 777, 778, 779,
 &end
#
#    0 AMB  15-3:751     49 GLU  HN          5.50    (#    751:15  Single Ambig)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 741, 742, 269, 270, 271,
 &end
#
#   49 LYS  HB3          50 GLU  HN          4.50    (#    752:15  Preassigned    2.44, 2.61 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 739, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HB2          50 GLU  HN          4.50    (#    753:15  Preassigned    3.75, 3.90 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 738, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:754     49 GLU  HN          4.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1030, 761,
 &end
#
#   50 GLU  HB2          50 GLU  HN          4.50    (#    755:15  Preassigned    3.24, 3.32 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 760, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HB2          50 GLU  HN          5.50    (#    756:15  Preassigned    2.64, 4.40 A)
 &rst
  ixpk= 756, nxpk= 15, iat=1029, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HG+          50 GLU  HN          5.50    (#    758:15  Preassigned    2.59, 4.86 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1032,1033,
 &end
#
#   48 VAL  HA           50 GLU  HN          5.50    (#    759:15  Preassigned    3.55, 3.68 A)
 &rst
  ixpk= 759, nxpk= 15, iat= 720, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           50 GLU  HN          4.50    (#    760:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 760, nxpk= 15, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HA           50 GLU  HN          5.50    (#    761:15  Preassigned    3.94, 4.04 A)
 &rst
  ixpk= 761, nxpk= 15, iat=1042, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           50 GLU  HN          4.50    (#    762:15  Preassigned    2.77, 2.84 A)
 &rst
  ixpk= 762, nxpk= 15, iat=1025, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HN           50 GLU  HN          5.50    (#    763:15  Preassigned    4.23, 4.36 A)
 &rst
  ixpk= 763, nxpk= 15, iat= 771, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           50 GLU  HN          3.50    (#    764:15  Preassigned    2.26, 2.41 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 734, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 LYS  HN           51 VAL  HN          5.50    (#    765:15  Preassigned    4.31, 4.38 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 787, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           51 VAL  HN          5.50    (#    766:15  Preassigned    4.23, 4.36 A)
 &rst
  ixpk= 766, nxpk= 15, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           51 VAL  HN          2.80    (#    767:15  Preassigned    2.22, 2.40 A)
 &rst
  ixpk= 767, nxpk= 15, iat= 758, 771, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HA           51 VAL  HN          4.50    (#    768:15  Unique         2.95, 2.98 A)
 &rst
  ixpk= 768, nxpk= 15, iat= 773, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HB           51 VAL  HN          3.50    (#    769:15  Preassigned    2.63, 2.72 A)
 &rst
  ixpk= 769, nxpk= 15, iat= 775, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HG-          51 VAL  HN          4.50    (#    770:15  Preassigned    1.93, 2.69 A)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 763, 764,
 &end
#
#    0 AMB  15-3:771     50 VAL  HN          5.50    (#    771:15  Single Ambig)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 761,1030,
 &end
#
#   50 GLU  HG+          51 VAL  HN          5.50    (#    772:15  Preassigned    1.93, 2.69 A)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 763, 764,
 &end
#
#   18 ALA  QB           51 VAL  HN          5.50    (#    773:15  Preassigned    3.29, 5.01 A)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   52 LYS  QD           51 VAL  HN          5.50    (#    774:15  Preassigned    3.91, 4.96 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 797, 798,
 &end
#
#   51 VAL  QG1          51 VAL  HN          4.50    (#    775:15  Preassigned    4.50, 4.72 A)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 777, 778, 779,
 &end
#
#   51 VAL  QG2          51 VAL  HN          4.50    (#    777:15  Preassigned    2.25, 3.55 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 781, 782, 783,
 &end
#
#   48 VAL  QG1          51 VAL  HN          5.50    (#    778:15  Preassigned    3.80, 4.92 A)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 724, 725, 726,
 &end
#
#   65 LEU  QD-          52 LYS  HN          5.50    (#    779:15  Preassigned    3.66, 5.87 A)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#    0 AMB  15-3:780     51 LYS  HN          4.50    (#    780:15  Single Ambig)
 &rst
  ixpk= 780, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 781, 782, 783,1015,1016,1017,1019,1020,1021,1015,
      1016,1017,1019,1020,1021,
 &end
#
#   52 LYS  HG-          52 LYS  HN          4.50    (#    781:15  Preassigned    2.45, 3.28 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 794, 795,
 &end
#
#    0 AMB  15-3:782     51 LYS  HN          3.50    (#    782:15  Single Ambig)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 794, 795, 777, 778, 779,
 &end
#
#   53 LYS  HB2          52 LYS  HN          5.50    (#    783:15  Preassigned    4.03, 4.19 A)
 &rst
  ixpk= 783, nxpk= 15, iat= 813, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  QD           52 LYS  HN          4.50    (#    784:15  Preassigned    3.60, 4.27 A)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 797, 798,
 &end
#
#   66 LEU  HB3          52 LYS  HN          5.50    (#    785:15  Preassigned    3.10, 3.56 A)
 &rst
  ixpk= 785, nxpk= 15, iat=1011, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB2          52 LYS  HN          4.50    (#    786:15  Preassigned    2.43, 2.52 A)
 &rst
  ixpk= 786, nxpk= 15, iat= 791, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HG-          52 LYS  HN          5.50    (#    787:15  Preassigned    4.62, 5.63 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 763, 764,
 &end
#
#   52 LYS  HB3          52 LYS  HN          4.50    (#    788:15  Preassigned    3.62, 3.68 A)
 &rst
  ixpk= 788, nxpk= 15, iat= 792, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HB           52 LYS  HN          5.50    (#    789:15  Preassigned    3.98, 4.06 A)
 &rst
  ixpk= 789, nxpk= 15, iat= 775, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HA           52 LYS  HN          2.80    (#    790:15  Preassigned    2.18, 2.23 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LYS  HA           52 LYS  HN          5.50    (#    791:15  Preassigned    4.94, 5.02 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 811, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HA           52 LYS  HN          4.50    (#    792:15  Preassigned    2.21, 2.54 A)
 &rst
  ixpk= 792, nxpk= 15, iat=1008, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HN          3.50    (#    793:15  Preassigned    2.37, 2.45 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 809, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLU  HN           52 LYS  HN          5.50    (#    794:15  Preassigned    4.31, 4.64 A)
 &rst
  ixpk= 794, nxpk= 15, iat=1025, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           52 LYS  HN          5.50    (#    795:15  Preassigned    4.31, 4.38 A)
 &rst
  ixpk= 795, nxpk= 15, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HN          4.50    (#    796:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 796, nxpk= 15, iat= 831, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HN           53 LYS  HN          3.50    (#    797:15  Preassigned    2.37, 2.45 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 787, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           53 LYS  HN          5.50    (#    799:15  Preassigned    4.65, 4.93 A)
 &rst
  ixpk= 799, nxpk= 15, iat=1008, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HA           53 LYS  HN          4.50    (#    800:15  Preassigned    2.91, 2.95 A)
 &rst
  ixpk= 800, nxpk= 15, iat= 811, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HA           53 LYS  HN          5.50    (#    801:15  Preassigned    4.64, 4.78 A)
 &rst
  ixpk= 801, nxpk= 15, iat= 833, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:802     52 LYS  HN          4.50    (#    802:15  Single Ambig)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 773,
 &end
#
#    0 AMB  15-3:804     52 LYS  HN          5.50    (#    804:15  Single Ambig)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823, 800, 801,
 &end
#
#    0 AMB  15-3:805     52 LYS  HN          4.50    (#    805:15  Single Ambig)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 792, 819, 820,
 &end
#
#   53 LYS  HB3          53 LYS  HN          4.50    (#    806:15  Preassigned    3.77, 3.84 A)
 &rst
  ixpk= 806, nxpk= 15, iat= 814, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HB           53 LYS  HN          5.50    (#    807:15  Preassigned    3.72, 3.95 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 775, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:808     52 LYS  HN          5.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 819, 820,1011,
 &end
#
#   53 LYS  HG+          53 LYS  HN          4.50    (#    809:15  Preassigned    3.27, 3.95 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 816, 817,
 &end
#
#   53 LYS  HB2          53 LYS  HN          4.50    (#    810:15  Preassigned    2.64, 2.76 A)
 &rst
  ixpk= 810, nxpk= 15, iat= 813, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  QG1          53 LYS  HN          3.50    (#    811:15  Preassigned    2.03, 3.18 A)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 777, 778, 779,
 &end
#
#   65 LEU  QD+          53 LYS  HN          4.50    (#    812:15  Preassigned    3.58, 6.11 A)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 996, 997, 998,1000,1001,1002,
 &end
#
#   11 LEU  QD-          53 LYS  HN          5.50    (#    814:15  Preassigned    5.16, 6.85 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:816     53 LYS  HN          5.50    (#    816:15  Single Ambig)
 &rst
  ixpk= 816, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 913, 914, 915,
 &end
#
#   11 LEU  QD+          54 LYS  HN          5.50    (#    817:15  Preassigned    2.91, 5.37 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          54 LYS  HN          5.50    (#    818:15  Preassigned    2.91, 5.37 A)
 &rst
  ixpk= 818, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:819     53 LYS  HN          5.50    (#    819:15  Single Ambig)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 816, 817, 200, 201, 202, 777, 778, 779,
 &end
#
#   54 LYS  HG-          54 LYS  HN          4.50    (#    820:15  Preassigned    2.52, 2.95 A)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 838, 839,
 &end
#
#   54 LYS  HG+          54 LYS  HN          4.50    (#    821:15  Preassigned    2.52, 2.95 A)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 838, 839,
 &end
#
#   53 LYS  HD+          54 LYS  HN          4.50    (#    822:15  Preassigned    3.53, 3.77 A)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 819, 820,
 &end
#
#   53 LYS  HB3          54 LYS  HN          4.50    (#    823:15  Preassigned    1.98, 2.13 A)
 &rst
  ixpk= 823, nxpk= 15, iat= 814, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD-          54 LYS  HN          5.50    (#    824:15  Preassigned    3.53, 3.77 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 819, 820,
 &end
#
#    0 AMB  15-3:826     53 LYS  HN          3.50    (#    826:15  Single Ambig)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 835, 836, 134,
 &end
#
#   57 ASP  HB3          54 LYS  HN          5.50    (#    827:15  Preassigned    2.57, 2.72 A)
 &rst
  ixpk= 827, nxpk= 15, iat= 880, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          54 LYS  HN          5.50    (#    828:15  Preassigned    2.36, 2.86 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 879, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           54 LYS  HN          7.00    (#    829:15  Preassigned    6.99, 7.03 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 131, 831, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 LYS  HA           54 LYS  HN          4.50    (#    830:15  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HA           54 LYS  HN          3.50    (#    831:15  Preassigned    2.46, 2.59 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HN           54 LYS  HN          5.50    (#    833:15  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 833, nxpk= 15, iat= 809, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           54 LYS  HN          5.50    (#    834:15  Preassigned    3.62, 3.80 A)
 &rst
  ixpk= 834, nxpk= 15, iat= 875, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           55 GLU  HN          5.50    (#    835:15  Preassigned    4.52, 4.91 A)
 &rst
  ixpk= 835, nxpk= 15, iat= 194, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           55 GLU  HN          5.50    (#    836:15  Preassigned    4.53, 4.58 A)
 &rst
  ixpk= 836, nxpk= 15, iat= 868, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           55 GLU  HN          5.50    (#    839:15  Preassigned    4.63, 4.73 A)
 &rst
  ixpk= 839, nxpk= 15, iat= 875, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HA           55 GLU  HN          2.80    (#    843:15  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 843, nxpk= 15, iat= 833, 853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#    845:15  Preassigned    2.78, 2.82 A)
 &rst
  ixpk= 845, nxpk= 15, iat= 855, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB2          55 GLU  HN          5.50    (#    846:15  Preassigned    4.94, 5.35 A)
 &rst
  ixpk= 846, nxpk= 15, iat= 879, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG+          55 GLU  HN          3.50    (#    847:15  Preassigned    2.03, 2.94 A)
 &rst
  ixpk= 847, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 860, 861,
 &end
#
#   14 VAL  HB           55 GLU  HN          5.50    (#    848:15  Preassigned    3.62, 4.03 A)
 &rst
  ixpk= 848, nxpk= 15, iat= 198, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#    850:15  Preassigned    2.03, 2.94 A)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 860, 861,
 &end
#
#   55 GLU  QB           55 GLU  HN          3.50    (#    851:15  Preassigned    2.44, 3.10 A)
 &rst
  ixpk= 851, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 857, 858,
 &end
#
#   54 LYS  QB           55 GLU  HN          3.50    (#    852:15  Preassigned    2.26, 3.09 A)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   54 LYS  HG+          55 GLU  HN          5.50    (#    854:15  Preassigned    3.34, 4.12 A)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#   54 LYS  HG-          55 GLU  HN          5.50    (#    855:15  Preassigned    3.34, 4.12 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#    0 AMB  15-3:856     54 GLU  HN          5.50    (#    856:15  Single Ambig)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202, 777, 778, 779,
 &end
#
#   14 VAL  QG2          55 GLU  HN          4.50    (#    857:15  Preassigned    3.64, 4.57 A)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   11 LEU  QD+          55 GLU  HN          5.50    (#    858:15  Preassigned    4.60, 7.20 A)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1, 853, 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  HN          5.50    (#    859:15  Preassigned    4.60, 7.20 A)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          56 GLY  HN          5.50    (#    860:15  Preassigned    4.65, 6.18 A)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   14 VAL  QG2          56 GLY  HN          5.50    (#    861:15  Preassigned    4.11, 5.52 A)
 &rst
  ixpk= 861, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:862     55 GLY  HN          5.50    (#    862:15  Single Ambig)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 838, 839,
 &end
#
#   11 LEU  HB2          56 GLY  HN          5.50    (#    863:15  Preassigned    3.07, 4.62 A)
 &rst
  ixpk= 863, nxpk= 15, iat= 133, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB3          56 GLY  HN          4.50    (#    864:15  Preassigned    3.08, 3.32 A)
 &rst
  ixpk= 864, nxpk= 15, iat= 134, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  QB           56 GLY  HN          4.50    (#    865:15  Preassigned    3.15, 3.70 A)
 &rst
  ixpk= 865, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 857, 858,
 &end
#
#   55 GLU  HG-          56 GLY  HN          5.50    (#    866:15  Preassigned    4.35, 4.87 A)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 860, 861,
 &end
#
#   55 GLU  HG+          56 GLY  HN          5.50    (#    867:15  Preassigned    4.35, 4.87 A)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 860, 861,
 &end
#
#   55 GLU  HA           56 GLY  HN          2.80    (#    868:15  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 855, 868, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 GLY  HA-          56 GLY  HN          3.50    (#    869:15  Preassigned    2.25, 2.58 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 870, 871,
 &end
#
#   56 GLY  HA+          56 GLY  HN          4.50    (#    870:15  Preassigned    2.25, 2.58 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 870, 871,
 &end
#
#   57 ASP  HN           56 GLY  HN          4.50    (#    871:15  Preassigned    2.69, 2.79 A)
 &rst
  ixpk= 871, nxpk= 15, iat= 875, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           56 GLY  HN          5.50    (#    872:15  Preassigned    4.53, 4.58 A)
 &rst
  ixpk= 872, nxpk= 15, iat= 853, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           56 GLY  HN          5.50    (#    873:15  Preassigned    3.91, 4.02 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 129, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           63 ASP  HN          3.50    (#    874:15  Preassigned    2.43, 2.50 A)
 &rst
  ixpk= 874, nxpk= 15, iat= 952, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HN           63 ASP  HN          5.50    (#    875:15  Preassigned    3.55, 3.60 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  45, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:876     62 ASP  HN          5.50    (#    876:15  Single Ambig)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 937,
 &end
#
#   64 VAL  HN           63 ASP  HN          5.50    (#    877:15  Preassigned    4.50, 4.57 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 971, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HA           63 ASP  HN          4.50    (#    878:15  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 878, nxpk= 15, iat= 961, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 GLY  HA+          63 ASP  HN          4.50    (#    879:15  Preassigned    3.32, 3.40 A)
 &rst
  ixpk= 879, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 954, 955,
 &end
#
#    0 AMB  15-3:880     62 ASP  HN          4.50    (#    880:15  Single Ambig)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 954, 955,  39,
 &end
#
#   61 GLU  HA           63 ASP  HN          4.50    (#    881:15  Preassigned    3.58, 3.63 A)
 &rst
  ixpk= 881, nxpk= 15, iat= 939, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          63 ASP  HN          3.50    (#    882:15  Preassigned    2.55, 2.58 A)
 &rst
  ixpk= 882, nxpk= 15, iat= 964, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  QE           63 ASP  HN          5.50    (#    883:15  Preassigned    5.78, 6.36 A)
 &rst
  ixpk= 883, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   60 ASN  HB+          63 ASP  HN          5.50    (#    884:15  Preassigned    3.73, 4.36 A)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
#   63 ASP  HB2          63 ASP  HN          4.50    (#    885:15  Preassigned    2.43, 2.47 A)
 &rst
  ixpk= 885, nxpk= 15, iat= 963, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:886     62 ASP  HN          5.50    (#    886:15  Single Ambig)
 &rst
  ixpk= 886, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 911, 944, 945,
 &end
#
#    5 ILE  HB           63 ASP  HN          4.50    (#    887:15  Preassigned    3.26, 3.34 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  49, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HG+          63 ASP  HN          5.50    (#    888:15  Preassigned    5.31, 5.68 A)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 944, 945,
 &end
#
#    5 ILE  QG2          63 ASP  HN          5.50    (#    889:15  Preassigned    4.81, 5.61 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   59 VAL  QG1          63 ASP  HN          5.50    (#    890:15  Preassigned    5.78, 6.70 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
#    0 AMB  15-3:891     58 VAL  HN          7.00    (#    891:15  Single Ambig)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 907, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   59 VAL  QG2          59 VAL  HN          3.50    (#    892:15  Preassigned    2.56, 3.20 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG1           0 AMB  15-1:893    4.50    (#    893:15  Single Ambig)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 913, 914, 915,
 igr2= 907, 887,
 &end
#
#    5 ILE  QG2          59 VAL  HN          5.50    (#    894:15  Preassigned    5.37, 6.52 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   54 LYS  HG+          58 PHE  HN          5.50    (#    896:15  Preassigned    6.06, 6.18 A)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#   53 LYS  HB3          58 PHE  HN          7.00    (#    897:15  Preassigned    6.22, 6.56 A)
 &rst
  ixpk= 897, nxpk= 15, iat= 814, 887, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  HB           59 VAL  HN          4.50    (#    898:15  Preassigned    3.80, 3.83 A)
 &rst
  ixpk= 898, nxpk= 15, iat= 911, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB2          58 PHE  HN          4.50    (#    899:15  Preassigned    3.87, 3.98 A)
 &rst
  ixpk= 899, nxpk= 15, iat= 879, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB3          58 PHE  HN          4.50    (#    901:15  Preassigned    3.42, 3.65 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 880, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB3          58 PHE  HN          3.50    (#    902:15  Preassigned    2.26, 2.34 A)
 &rst
  ixpk= 902, nxpk= 15, iat= 892, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HB2          58 PHE  HN          3.50    (#    903:15  Preassigned    2.59, 2.68 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 891, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           58 PHE  HN          2.80    (#    905:15  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 905, nxpk= 15, iat= 877, 887, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HA           59 VAL  HN          5.50    (#    906:15  Unique         4.72, 4.75 A)
 &rst
  ixpk= 906, nxpk= 15, iat= 925, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HD            0 AMB  15-1:907    4.50    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 895, 903,
 igr2= 907, 887,
 &end
#
#   11 LEU  HN            0 AMB  15-1:909    5.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 907, 887,
 &end
#
#    9 GLY  HN           59 VAL  HN          4.50    (#    910:15  Preassigned    3.11, 3.17 A)
 &rst
  ixpk= 910, nxpk= 15, iat= 108, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           59 VAL  HN          4.50    (#    911:15  Preassigned    3.01, 3.06 A)
 &rst
  ixpk= 911, nxpk= 15, iat= 117, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA            0 AMB  15-1:913    3.50    (#    913:15  Single Ambig)
 &rst
  ixpk= 913, nxpk= 15, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 907, 887,
 &end
#
#   59 VAL  QG2          60 ASN  HN          5.50    (#    916:15  Preassigned    4.07, 4.63 A)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
#   59 VAL  QG1          60 ASN  HN          4.50    (#    917:15  Preassigned    3.54, 4.30 A)
 &rst
  ixpk= 917, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 913, 914, 915,
 &end
#
#    5 ILE  QG2          60 ASN  HN          5.50    (#    918:15  Preassigned    3.91, 4.78 A)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    8 ALA  QB           60 ASN  HN          5.50    (#    919:15  Preassigned    5.78, 6.71 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 102, 103, 104,
 &end
#
#   63 ASP  HB3          60 ASN  HN          4.50    (#    920:15  Preassigned    1.89, 1.99 A)
 &rst
  ixpk= 920, nxpk= 15, iat= 964, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           60 ASN  HN          5.50    (#    921:15  Preassigned    4.25, 4.99 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#    8 ALA  HA           60 ASN  HN          5.50    (#    922:15  Preassigned    4.19, 4.45 A)
 &rst
  ixpk= 922, nxpk= 15, iat= 100, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           60 ASN  HN          3.50    (#    923:15  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 923, nxpk= 15, iat= 925, 923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HD2-         60 ASN  HN          5.50    (#    924:15  Preassigned    4.09, 5.02 A)
 &rst
  ixpk= 924, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 932, 933,
 &end
#
#    0 AMB  15-3:925     59 ASN  HN          4.50    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 959, 932, 933,
 &end
#
#   59 VAL  HN           60 ASN  HN          5.50    (#    927:15  Preassigned    4.38, 4.40 A)
 &rst
  ixpk= 927, nxpk= 15, iat= 907, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HN          5.50    (#    928:15  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 928, nxpk= 15, iat= 952, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HN           61 GLU  HN          5.50    (#    930:15  Preassigned    5.51, 5.51 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 108, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HN           61 GLU  HN          4.50    (#    931:15  Preassigned    4.44, 4.49 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 959, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HA           61 GLU  HN          3.50    (#    935:15  Preassigned    2.39, 2.42 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 925, 937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HA           61 GLU  HN          4.50    (#    936:15  Preassigned    3.86, 4.10 A)
 &rst
  ixpk= 936, nxpk= 15, iat=  83, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA           61 GLU  HN          4.50    (#    937:15  Preassigned    2.85, 2.86 A)
 &rst
  ixpk= 937, nxpk= 15, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HB+          61 GLU  HN          3.50    (#    938:15  Preassigned    2.91, 3.46 A)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 927, 928,
 &end
#
#   63 ASP  HB2          61 GLU  HN          5.50    (#    939:15  Preassigned    4.79, 4.85 A)
 &rst
  ixpk= 939, nxpk= 15, iat= 963, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:940     60 GLU  HN          4.50    (#    940:15  Single Ambig)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 944, 945, 911,
 &end
#
#   61 GLU  HB3          61 GLU  HN          2.80    (#    941:15  Preassigned    2.31, 2.34 A)
 &rst
  ixpk= 941, nxpk= 15, iat= 942, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HB-          61 GLU  HN          4.50    (#    942:15  Preassigned    2.91, 3.46 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 927, 928,
 &end
#
#   61 GLU  HB2          60 ASN  HN          7.00    (#    943:15  Preassigned    6.39, 6.43 A)
 &rst
  ixpk= 943, nxpk= 15, iat= 941, 923, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   61 GLU  HB3          60 ASN  HN          7.00    (#    944:15  Preassigned    6.44, 6.47 A)
 &rst
  ixpk= 944, nxpk= 15, iat= 942, 923, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 ILE  QG2          62 GLY  HN          5.50    (#    945:15  Preassigned    4.50, 5.54 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   61 GLU  HB3          62 GLY  HN          4.50    (#    946:15  Preassigned    4.41, 4.48 A)
 &rst
  ixpk= 946, nxpk= 15, iat= 942, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HG+          62 GLY  HN          4.50    (#    947:15  Preassigned    3.34, 3.69 A)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 944, 945,
 &end
#
#   61 GLU  HA           62 GLY  HN          2.80    (#    949:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 949, nxpk= 15, iat= 939, 952, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:950     61 GLY  HN          3.50    (#    950:15  Single Ambig)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 954, 955,  39,
 &end
#
#    5 ILE  HA           62 GLY  HN          5.50    (#    951:15  Preassigned    4.92, 4.97 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  47, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HA+          62 GLY  HN          3.50    (#    952:15  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 954, 955,
 &end
#
#    7 MET  HN           62 GLY  HN          5.50    (#    953:15  Preassigned    4.14, 4.34 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  81, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HN           62 GLY  HN          4.50    (#    954:15  Preassigned    2.43, 2.50 A)
 &rst
  ixpk= 954, nxpk= 15, iat= 959, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:955     61 GLY  HN          5.50    (#    955:15  Single Ambig)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 923,
 &end
#
#    5 ILE  HN           62 GLY  HN          5.50    (#    956:15  Preassigned    4.00, 4.12 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  45, 952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           57 ASP  HN          4.50    (#    957:15  Preassigned    2.69, 2.79 A)
 &rst
  ixpk= 957, nxpk= 15, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           57 ASP  HN          5.50    (#    958:15  Preassigned    2.86, 3.54 A)
 &rst
  ixpk= 958, nxpk= 15, iat= 129, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           57 ASP  HN          5.50    (#    959:15  Preassigned    3.62, 3.80 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 831, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HA           57 ASP  HN          4.50    (#    961:15  Preassigned    2.87, 2.90 A)
 &rst
  ixpk= 961, nxpk= 15, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 GLY  HA+          57 ASP  HN          4.50    (#    962:15  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 870, 871,
 &end
#
#   56 GLY  HA-          57 ASP  HN          4.50    (#    964:15  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 870, 871,
 &end
#
#   55 GLU  HA           57 ASP  HN          4.50    (#    965:15  Preassigned    3.52, 3.66 A)
 &rst
  ixpk= 965, nxpk= 15, iat= 855, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB3          57 ASP  HN          3.50    (#    966:15  Preassigned    2.57, 2.65 A)
 &rst
  ixpk= 966, nxpk= 15, iat= 880, 875, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HB2          57 ASP  HN          4.50    (#    967:15  Preassigned    2.30, 2.55 A)
 &rst
  ixpk= 967, nxpk= 15, iat= 879, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB3          57 ASP  HN          4.50    (#    968:15  Preassigned    2.82, 3.08 A)
 &rst
  ixpk= 968, nxpk= 15, iat= 134, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          57 ASP  HN          4.50    (#    969:15  Preassigned    2.56, 4.01 A)
 &rst
  ixpk= 969, nxpk= 15, iat= 133, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HG-          57 ASP  HN          5.50    (#    970:15  Preassigned    3.11, 3.82 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#    0 AMB  15-3:971     56 ASP  HN          5.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 138, 139, 140, 142, 143, 144, 917, 918, 919,
 &end
#
#   11 LEU  QD-          57 ASP  HN          5.50    (#    972:15  Preassigned    3.77, 6.01 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:974     63 VAL  HN          4.50    (#    974:15  Single Ambig)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 977, 978, 979, 913, 914, 915,
 &end
#
#   64 VAL  QG2          64 VAL  HN          3.50    (#    975:15  Preassigned    1.97, 2.96 A)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 981, 982, 983,
 &end
#
#   53 LYS  HG+          64 VAL  HN          5.50    (#    976:15  Preassigned    5.39, 5.76 A)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 816, 817,
 &end
#
#   64 VAL  HB           64 VAL  HN          3.50    (#    977:15  Preassigned    2.46, 2.56 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 975, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:978     63 VAL  HN          5.50    (#    978:15  Single Ambig)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 792, 819, 820,
 &end
#
#   63 ASP  HB2          64 VAL  HN          4.50    (#    979:15  Preassigned    4.31, 4.38 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          64 VAL  HN          5.50    (#    980:15  Preassigned    4.00, 4.08 A)
 &rst
  ixpk= 980, nxpk= 15, iat= 964, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           64 VAL  HN          5.50    (#    981:15  Preassigned    4.19, 4.66 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   64 VAL  HA           64 VAL  HN          4.50    (#    983:15  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 983, nxpk= 15, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HA           64 VAL  HN          2.80    (#    984:15  Preassigned    2.21, 2.24 A)
 &rst
  ixpk= 984, nxpk= 15, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 LEU  HN           64 VAL  HN          5.50    (#    987:15  Preassigned    4.57, 4.62 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 987, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HN           65 LEU  HN          5.50    (#    989:15  Preassigned    4.57, 4.62 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 971, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           65 LEU  HN          3.50    (#    990:15  Preassigned    2.06, 2.16 A)
 &rst
  ixpk= 990, nxpk= 15, iat=1006, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 SER  HA           65 LEU  HN          4.50    (#    991:15  Preassigned    1.92, 2.12 A)
 &rst
  ixpk= 991, nxpk= 15, iat=  36, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HA           65 LEU  HN          4.50    (#    992:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 992, nxpk= 15, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA           65 LEU  HN          3.50    (#    993:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 993, nxpk= 15, iat= 973, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:994     64 LEU  HN          5.50    (#    994:15  Single Ambig)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#    5 ILE  HB           65 LEU  HN          7.00    (#    995:15  Preassigned    5.81, 6.17 A)
 &rst
  ixpk= 995, nxpk= 15, iat=  49, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 LEU  HB2          65 LEU  HN          7.00    (#    996:15  Preassigned    6.03, 6.11 A)
 &rst
  ixpk= 996, nxpk= 15, iat=1010, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   65 LEU  HB3          65 LEU  HN          4.50    (#    997:15  Preassigned    2.35, 2.48 A)
 &rst
  ixpk= 997, nxpk= 15, iat= 992, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:998     64 LEU  HN          5.50    (#    998:15  Single Ambig)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  55,  56, 994,
 &end
#
#    0 AMB  15-3:1001    64 LEU  HN          5.50    (#   1001:15  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 981, 982, 983,  24,  25,  26,
 &end
#
#   64 VAL  QG1          65 LEU  HN          4.50    (#   1002:15  Preassigned    2.42, 3.23 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 977, 978, 979,
 &end
#
#    3 VAL  QG2          65 LEU  HN          5.50    (#   1003:15  Preassigned    6.02, 6.66 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   64 VAL  QG1          66 LEU  HN          4.50    (#   1004:15  Preassigned    2.61, 3.38 A)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 977, 978, 979,
 &end
#
#    3 VAL  QG2          66 LEU  HN          4.50    (#   1005:15  Preassigned    4.60, 5.51 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  15-3:1006    65 LEU  HN          5.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26, 981, 982, 983,
 &end
#
#   65 LEU  HG           66 LEU  HN          4.50    (#   1008:15  Preassigned    3.36, 4.24 A)
 &rst
  ixpk= 1008, nxpk= 15, iat= 994,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HB3          66 LEU  HN          4.50    (#   1009:15  Preassigned    2.32, 2.51 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 992,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB2          66 LEU  HN          4.50    (#   1010:15  Preassigned    4.00, 4.03 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1010,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 VAL  HB           66 LEU  HN          4.50    (#   1011:15  Preassigned    3.04, 3.25 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=  22,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HG           66 LEU  HN          5.50    (#   1012:15  Preassigned    2.59, 3.08 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=1013,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA           66 LEU  HN          5.50    (#   1013:15  Preassigned    3.87, 4.03 A)
 &rst
  ixpk= 1013, nxpk= 15, iat= 973,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HA           66 LEU  HN          5.50    (#   1014:15  Preassigned    3.65, 3.65 A)
 &rst
  ixpk= 1014, nxpk= 15, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HA           66 LEU  HN          4.50    (#   1015:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           66 LEU  HN          5.50    (#   1016:15  Preassigned    4.38, 4.40 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=1025,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           66 LEU  HN          3.50    (#   1017:15  Preassigned    2.06, 2.16 A)
 &rst
  ixpk= 1017, nxpk= 15, iat= 987,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  QD2          68 LEU  HN          5.50    (#   1019:15  Preassigned    3.89, 4.79 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#    0 AMB  15-3:1020    67 LEU  HN          5.50    (#   1020:15  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015,1016,1017,1019,1020,1021,1015,1016,1017,1019,
      1020,1021,
 &end
#
#   68 LEU  QD1          68 LEU  HN          5.50    (#   1021:15  Preassigned    4.09, 4.95 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1049,1050,1051,
 &end
#
#   68 LEU  HG           68 LEU  HN          4.50    (#   1023:15  Preassigned    2.82, 3.00 A)
 &rst
  ixpk= 1023, nxpk= 15, iat=1047,1040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:1024    67 LEU  HN          4.50    (#   1024:15  Single Ambig)
 &rst
  ixpk= 1024, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045, 744, 745,
 &end
#
#   67 GLU  HG+          68 LEU  HN          5.50    (#   1027:15  Preassigned    2.45, 3.18 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1032,1033,
 &end
#
#    0 AMB  15-3:1030    67 LEU  HN          5.50    (#   1030:15  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1061,  20,
 &end
#
#   67 GLU  HA           68 LEU  HN          3.50    (#   1032:15  Preassigned    2.20, 2.29 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=1027,1040, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:1033    67 LEU  HN          4.50    (#   1033:15  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 15, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1042,   6,
 &end
#
#   67 GLU  HN           68 LEU  HN          5.50    (#   1034:15  Preassigned    4.33, 4.38 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=1025,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HN          5.50    (#   1035:15  Preassigned    4.45, 4.48 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=1059,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           69 SER  HN          5.50    (#   1036:15  Preassigned    2.90, 3.24 A)
 &rst
  ixpk= 1036, nxpk= 15, iat= 734,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           69 SER  HN          5.50    (#   1037:15  Preassigned    2.76, 3.38 A)
 &rst
  ixpk= 1037, nxpk= 15, iat= 699,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           69 SER  HN          3.50    (#   1038:15  Preassigned    2.20, 2.27 A)
 &rst
  ixpk= 1038, nxpk= 15, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 SER  HA           69 SER  HN          4.50    (#   1039:15  Preassigned    2.78, 2.85 A)
 &rst
  ixpk= 1039, nxpk= 15, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           69 SER  HN          5.50    (#   1040:15  Preassigned    3.82, 4.37 A)
 &rst
  ixpk= 1040, nxpk= 15, iat= 736,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          69 SER  HN          5.50    (#   1041:15  Preassigned    3.58, 5.02 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   69 SER  QB           69 SER  HN          4.50    (#   1042:15  Preassigned    2.45, 3.03 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1063,1064,
 &end
#
#   48 VAL  HA           69 SER  HN          5.50    (#   1043:15  Preassigned    3.79, 4.08 A)
 &rst
  ixpk= 1043, nxpk= 15, iat= 720,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1044    68 SER  HN          4.50    (#   1044:15  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1045, 738, 703,
 &end
#
#   68 LEU  HB2          69 SER  HN          4.50    (#   1045:15  Preassigned    3.40, 3.85 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  QD1          69 SER  HN          7.00    (#   1046:15  Preassigned    6.44, 6.99 A)
 &rst
  ixpk= 1046, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 712, 713, 714,
 &end
#
#   47 ILE  QG2          69 SER  HN          5.50    (#   1047:15  Preassigned    3.33, 4.96 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 705, 706, 707,
 &end
#
#   68 LEU  QD2          69 SER  HN          5.50    (#   1048:15  Preassigned    3.34, 4.44 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1053,1054,1055,
 &end
#
#   71 SER  HA           72 THR  HN          5.50    (#   1050:15  Preassigned    2.26, 2.95 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=1086,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  QG2          73 GLN  HN          5.50    (#   1051:15  Preassigned    2.28, 4.60 A)
 &rst
  ixpk= 1051, nxpk= 15, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1101,1102,1103,
 &end
#
#   73 GLN  HB+          73 GLN  HN          5.50    (#   1052:15  Preassigned    2.33, 3.27 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1113,1114,
 &end
#
#   73 GLN  QG           73 GLN  HN          5.50    (#   1053:15  Preassigned    2.05, 3.35 A)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1116,1117,
 &end
#
#   73 GLN  HB-          73 GLN  HN          5.50    (#   1054:15  Preassigned    2.33, 3.27 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1113,1114,
 &end
#
#   73 GLN  HA           73 GLN  HN          4.50    (#   1056:15  Preassigned    2.24, 2.85 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 THR  HB           73 GLN  HN          5.50    (#   1057:15  Preassigned    2.09, 3.66 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=1099,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  HA           73 GLN  HN          4.50    (#   1058:15  Preassigned    2.22, 3.06 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=1097,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HN           21 GLN  HE2-        5.50    (#   1060:15  Preassigned    2.57, 3.99 A)
 &rst
  ixpk= 1060, nxpk= 15, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#   46 GLY  HN           21 GLN  HE2-        5.50    (#   1061:15  Preassigned    2.44, 4.17 A)
 &rst
  ixpk= 1061, nxpk= 15, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#    0 AMB  15-3:1062     0 AMB  15-1:1062   5.50    (#   1062:15  Double Ambig)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 619,  45,
 igr2=  76,  77,  76,  77,
 &end
#
#    0 AMB  15-3:1064     0 AMB  15-1:1064   5.50    (#   1064:15  Double Ambig)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  47, 694, 695, 686,
 igr2=  76,  77, 306, 307,
 &end
#
#    6 GLN  HA            6 GLN  HE2+        5.50    (#   1065:15  Preassigned    4.38, 5.41 A)
 &rst
  ixpk= 1065, nxpk= 15, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  76,  77,
 &end
#
#    6 GLN  HG+           6 GLN  HE2+        4.50    (#   1066:15  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#    0 AMB  15-3:1067     0 AMB  15-1:1067   4.50    (#   1067:15  Double Ambig)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 301, 302,  71,  72,  68,  69,
 igr2= 306, 307,  76,  77,  76,  77,
 &end
#
#   23 GLU  HB2          21 GLN  HE2-        5.50    (#   1068:15  Preassigned    2.21, 3.68 A)
 &rst
  ixpk= 1068, nxpk= 15, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#    0 AMB  15-3:1069     0 AMB  15-1:1069   5.50    (#   1069:15  Double Ambig)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  51,  52,  53, 573, 574, 575,
 igr2=  76,  77,  76,  77,
 &end
#
#    0 AMB  15-3:1070     0 AMB  15-1:1070   5.50    (#   1070:15  Double Ambig)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 712, 713, 714, 625, 626, 627,
 igr2= 306, 307,  76,  77,
 &end
#
#    0 AMB  15-3:1071     5 GLN  HE2-        5.50    (#   1071:15  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 606, 607, 608, 613, 614, 615,
 igr2=  76,  77,
 &end
#
#    0 AMB  15-3:1072     5 GLN  HE2-        5.50    (#   1072:15  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  51,  52,  53, 573, 574, 575,
 igr2=  76,  77,
 &end
#
#   23 GLU  HB2          21 GLN  HE2+        5.50    (#   1074:15  Preassigned    2.21, 3.68 A)
 &rst
  ixpk= 1074, nxpk= 15, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#    0 AMB  15-3:1075     0 AMB  15-1:1075   5.50    (#   1075:15  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 301, 302,  71,  72,  68,  69,
 igr2= 306, 307,  76,  77,
 &end
#
#    6 GLN  HG+           6 GLN  HE2-        5.50    (#   1076:15  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#    4 SER  HB2           6 GLN  HE2-        5.50    (#   1077:15  Unique         4.65, 7.33 A)
 &rst
  ixpk= 1077, nxpk= 15, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  76,  77,
 &end
#
#   40 ILE  HA            6 GLN  HE2-        5.50    (#   1078:15  Preassigned    3.06, 4.33 A)
 &rst
  ixpk= 1078, nxpk= 15, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  76,  77,
 &end
#
#   58 PHE  HA            10 ASN  HD2+        5.50    (#   1079:15  Preassigned    2.46, 2.71 A)
 &rst
  ixpk= 1079, nxpk= 15, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 124, 125,
 &end
#
#    10 ASN  HB2           10 ASN  HD2+        5.50    (#   1080:15  Preassigned    3.02, 3.52 A)
 &rst
  ixpk= 1080, nxpk= 15, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 124, 125,
 &end
#
#    10 ASN  HB3           10 ASN  HD2+        5.50    (#   1081:15  Preassigned    3.57, 3.86 A)
 &rst
  ixpk= 1081, nxpk= 15, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 124, 125,
 &end
#
#    0 AMB  15-3:1082     0 AMB  15-1:1082   5.50    (#   1082:15  Double Ambig)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 907, 115,
 igr2= 124, 125, 124, 125,
 &end
#
#   58 PHE  HD            10 ASN  HD2+        5.50    (#   1084:15  Preassigned    2.25, 4.36 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 895, 903,
 igr2= 124, 125,
 &end
#
#   58 PHE  HB2           10 ASN  HD2+        5.50    (#   1086:15  Preassigned    2.99, 3.64 A)
 &rst
  ixpk= 1086, nxpk= 15, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 124, 125,
 &end
#
#    10 ASN  HB3           10 ASN  HD2-        5.50    (#   1087:15  Preassigned    3.57, 3.86 A)
 &rst
  ixpk= 1087, nxpk= 15, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 124, 125,
 &end
#
#    10 ASN  HB2           10 ASN  HD2-        4.50    (#   1088:15  Preassigned    3.02, 3.52 A)
 &rst
  ixpk= 1088, nxpk= 15, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 124, 125,
 &end
#
#    0 AMB  15-3:1089     9 ASN  HD2-        5.50    (#   1089:15  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 907, 115,
 igr2= 124, 125,
 &end
#
#   22 ILE  HN           21 GLN  HE2+        5.50    (#   1090:15  Preassigned    2.57, 3.99 A)
 &rst
  ixpk= 1090, nxpk= 15, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#    0 AMB  15-3:1091     5 GLN  HE2-        5.50    (#   1091:15  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 619,  45,
 igr2=  76,  77,
 &end
#
#    0 AMB  15-3:1092     0 AMB  15-1:1092   5.50    (#   1092:15  Double Ambig)
 &rst
  ixpk= 1092, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 712, 713, 714, 625, 626, 627,
 igr2= 306, 307,  76,  77,
 &end
#
#   21 GLN  HG+          21 GLN  HE2+        5.50    (#   1093:15  Preassigned    2.22, 3.24 A)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 301, 302,
 igr2= 306, 307,
 &end
#
#    0 AMB  15-3:1094     0 AMB  15-1:1094   5.50    (#   1094:15  Double Ambig)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 694, 695, 686,
 igr2= 306, 307, 306, 307,
 &end
#
#   45 SER  HB2          21 GLN  HE2+        5.50    (#   1095:15  Preassigned    4.23, 5.74 A)
 &rst
  ixpk= 1095, nxpk= 15, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#   46 GLY  HN           21 GLN  HE2+        5.50    (#   1097:15  Preassigned    2.44, 4.17 A)
 &rst
  ixpk= 1097, nxpk= 15, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#   22 ILE  HA           21 GLN  HE2-        5.50    (#   1098:15  Preassigned    3.51, 4.69 A)
 &rst
  ixpk= 1098, nxpk= 15, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 306, 307,
 &end
#
#   28 VAL  HA           26 GLN  HE2+        5.50    (#   1099:15  Preassigned    2.97, 4.23 A)
 &rst
  ixpk= 1099, nxpk= 15, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   22 ILE  HA           26 GLN  HE2+        5.50    (#   1100:15  Preassigned    2.24, 3.61 A)
 &rst
  ixpk= 1100, nxpk= 15, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#    0 AMB  15-3:1101     0 AMB  15-1:1101   5.50    (#   1101:15  Double Ambig)
 &rst
  ixpk= 1101, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 330, 374,
 igr2= 386, 387, 386, 387,
 &end
#
#   23 GLU  HN           26 GLN  HE2-        5.50    (#   1104:15  Preassigned    3.80, 4.55 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   22 ILE  HA           26 GLN  HE2-        5.50    (#   1105:15  Preassigned    2.24, 3.61 A)
 &rst
  ixpk= 1105, nxpk= 15, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   26 GLN  HG-          26 GLN  HE2-        4.50    (#   1106:15  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 381, 382,
 igr2= 386, 387,
 &end
#
#    0 AMB  15-3:1107    25 GLN  HE2-        5.50    (#   1107:15  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 378, 410,
 igr2= 386, 387,
 &end
#
#   26 GLN  HB3          26 GLN  HE2-        5.50    (#   1108:15  Unique         2.55, 3.57 A)
 &rst
  ixpk= 1108, nxpk= 15, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   26 GLN  HG+          26 GLN  HE2-        4.50    (#   1109:15  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 381, 382,
 igr2= 386, 387,
 &end
#
#   16 VAL  QG1          26 GLN  HE2-        4.50    (#   1110:15  Preassigned    3.69, 4.94 A)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 233, 234, 235,
 igr2= 386, 387,
 &end
#
#   22 ILE  QG2          26 GLN  HE2-        5.50    (#   1111:15  Preassigned    2.26, 4.02 A)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 317, 318, 319,
 igr2= 386, 387,
 &end
#
#   22 ILE  QD1          26 GLN  HE2-        5.50    (#   1112:15  Preassigned    5.21, 6.52 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 324, 325, 326,
 igr2= 386, 387,
 &end
#
#   59 VAL  HB           60 ASN  HD2+        5.50    (#   1113:15  Preassigned    5.51, 6.49 A)
 &rst
  ixpk= 1113, nxpk= 15, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#   60 ASN  HB-          60 ASN  HD2+        4.50    (#   1114:15  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 927, 928,
 igr2= 932, 933,
 &end
#
#   60 ASN  HB+          60 ASN  HD2+        4.50    (#   1115:15  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 927, 928,
 igr2= 932, 933,
 &end
#
#    0 AMB  15-3:1116     0 AMB  15-1:1116   5.50    (#   1116:15  Double Ambig)
 &rst
  ixpk= 1116, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 909,  83,
 igr2= 932, 933, 932, 933,
 &end
#
#   60 ASN  HA           60 ASN  HD2+        5.50    (#   1117:15  Preassigned    2.44, 2.94 A)
 &rst
  ixpk= 1117, nxpk= 15, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 932, 933,
 &end
#
#    10 ASN  HD2-         60 ASN  HD2+        5.50    (#   1119:15  Preassigned    6.19, 7.18 A)
 &rst
  ixpk= 1119, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 124, 125,
 igr2= 932, 933,
 &end
#
#    0 AMB  15-3:1120     0 AMB  15-1:1120   5.50    (#   1120:15  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 937, 923,
 igr2= 932, 933, 932, 933,
 &end
#
#    0 AMB  15-3:1121    59 ASN  HD2-        5.50    (#   1121:15  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 937, 923,
 igr2= 932, 933,
 &end
#
#    10 ASN  HD2-         60 ASN  HD2-        5.50    (#   1122:15  Preassigned    6.19, 7.18 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 124, 125,
 igr2= 932, 933,
 &end
#
#    7 MET  HN           60 ASN  HD2-        7.00    (#   1123:15  Preassigned    6.95, 7.45 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 932, 933,
 &end
#
#   60 ASN  HB+          60 ASN  HD2-        5.50    (#   1124:15  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 927, 928,
 igr2= 932, 933,
 &end
#
#   60 ASN  HB-          60 ASN  HD2-        5.50    (#   1125:15  Preassigned    2.48, 3.47 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 927, 928,
 igr2= 932, 933,
 &end
#
#   70 ASN  HB+          70 ASN  HD2+        5.50    (#   1126:15  Preassigned    2.24, 3.31 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1079,1080,
 &end
#
#   70 ASN  HB-          70 ASN  HD2-        5.50    (#   1133:15  Preassigned    2.24, 3.31 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1079,1080,
 &end
#
#   70 ASN  HB+          70 ASN  HD2-        5.50    (#   1134:15  Preassigned    2.24, 3.31 A)
 &rst
  ixpk= 1134, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1079,1080,
 &end
#
#   13 LYS  HG-          12 TRP  HE1         5.50    (#   1143:15  Preassigned    5.38, 6.13 A)
 &rst
  ixpk= 1143, 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    (#   1144:15  Preassigned    5.38, 6.13 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   30 ILE  QG2          12 TRP  HE1         5.50    (#   1145:15  Preassigned    5.99, 6.51 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   37 GLU  HG+          12 TRP  HE1         5.50    (#   1146:15  Preassigned    3.40, 3.90 A)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 560,
 &end
#
#   37 GLU  HG-          12 TRP  HE1         5.50    (#   1147:15  Preassigned    3.40, 3.90 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 560,
 &end
#
#   13 LYS  HE-          12 TRP  HE1         5.50    (#   1148:15  Preassigned    5.00, 6.02 A)
 &rst
  ixpk= 1148, 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    (#   1149:15  Preassigned    5.00, 6.02 A)
 &rst
  ixpk= 1149, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   12 TRP  HD1          12 TRP  HE1         3.50    (#   1150:15  Preassigned    2.55, 2.55 A)
 &rst
  ixpk= 1150, nxpk= 15, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HG-          26 GLN  HE2+        4.50    (#   1151:15  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 1151, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 381, 382,
 igr2= 386, 387,
 &end
#
#   26 GLN  HG+          26 GLN  HE2+        4.50    (#   1152:15  Preassigned    2.23, 3.34 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 381, 382,
 igr2= 386, 387,
 &end
#
#   26 GLN  HB3          26 GLN  HE2+        5.50    (#   1153:15  Preassigned    2.55, 3.57 A)
 &rst
  ixpk= 1153, nxpk= 15, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   16 VAL  QG1          26 GLN  HE2+        5.50    (#   1154:15  Preassigned    3.69, 4.94 A)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235,
 igr2= 386, 387,
 &end
#
#   22 ILE  QG2          26 GLN  HE2+        5.50    (#   1155:15  Preassigned    2.26, 4.02 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 317, 318, 319,
 igr2= 386, 387,
 &end
#
#   59 VAL  QG2          63 ASP  HN          7.00    (#   1157:15  Preassigned    6.86, 7.43 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 917, 918, 919,
 &end
#
#   37 GLU  HB3          37 GLU  HN          4.50    (#   1158:15  Preassigned    3.73, 3.81 A)
 &rst
  ixpk= 1158, nxpk= 15, iat= 557, 552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HG1-         37 GLU  HN          5.50    (#   1159:15  Preassigned    3.80, 4.82 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 577, 578,
 &end
#
#   40 ILE  QG2           6 GLN  HE2+        5.50    (#   1160:15  Preassigned    2.04, 5.07 A)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 606, 607, 608,
 igr2=  76,  77,
 &end
#
#   53 LYS  HB3          57 ASP  HN          5.50    (#   1161:15  Preassigned    4.57, 4.87 A)
 &rst
  ixpk= 1161, nxpk= 15, iat= 814, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          50 GLU  HN          5.50    (#   1162:15  Unique         3.50, 4.36 A)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 741, 742,
 &end
#
#   49 LYS  HA           50 GLU  HN          4.50    (#   1163:15  Preassigned    3.61, 3.64 A)
 &rst
  ixpk= 1163, nxpk= 15, iat= 736, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HA           62 GLY  HN          4.50    (#   1165:15  Preassigned    2.63, 2.87 A)
 &rst
  ixpk= 1165, nxpk= 15, iat=  66, 952, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           38 ILE  HN          5.50    (#   1166:15  Preassigned    4.66, 4.77 A)
 &rst
  ixpk= 1166, nxpk= 15, iat= 485, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HA           31 LEU  HN          7.00    (#   1167:15  Preassigned    6.38, 6.45 A)
 &rst
  ixpk= 1167, nxpk= 15, iat= 424, 451, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HN            5 ILE  HN          5.50    (#   1168:15  Preassigned    4.60, 4.63 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  64,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA            9 GLY  HN          7.00    (#   1169:15  Preassigned    6.41, 6.46 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 487, 108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1170     8 GLY  HN          5.50    (#   1170:15  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 909,  83,
 &end
#
#   12 TRP  HN           32 GLU  HN          5.50    (#   1171:15  Preassigned    2.55, 2.83 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 148, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           18 ALA  HN          5.50    (#   1172:15  Preassigned    4.28, 4.31 A)
 &rst
  ixpk= 1172, nxpk= 15, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN           65 LEU  HN          5.50    (#   1174:15  Preassigned    3.75, 3.99 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  45, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           43 ASP  HN          5.50    (#   1175:15  Preassigned    2.86, 2.87 A)
 &rst
  ixpk= 1175, nxpk= 15, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB-          60 ASN  HN          5.50    (#   1176:15  Preassigned    2.82, 3.11 A)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
#   63 ASP  HB2          60 ASN  HN          5.50    (#   1177:15  Preassigned    2.25, 2.33 A)
 &rst
  ixpk= 1177, nxpk= 15, iat= 963, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB+          60 ASN  HN          5.50    (#   1178:15  Preassigned    2.82, 3.11 A)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
#   59 VAL  HA           60 ASN  HN          4.50    (#   1179:15  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 1179, nxpk= 15, iat= 909, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  HB           60 ASN  HN          4.50    (#   1180:15  Preassigned    2.39, 2.45 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 911, 923, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HB2          53 LYS  HN          5.50    (#   1181:15  Preassigned    3.51, 3.72 A)
 &rst
  ixpk= 1181, nxpk= 15, iat= 791, 809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  HA           42 ALA  HN          5.50    (#   1183:15  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 1183, nxpk= 15, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ASN  HB-          70 ASN  HD2+        5.50    (#   1184:15  Preassigned    2.24, 3.31 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1074,1075,
 igr2=1079,1080,
 &end
#
#    5 ILE  QG2           8 ALA  HN          5.50    (#   1185:15  Preassigned    5.24, 6.20 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:1186    56 ASP  HN          5.50    (#   1186:15  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 15, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 887, 148, 907,
 &end
#
#   12 TRP  HZ2          12 TRP  HE1         4.50    (#   1189:15  Preassigned    2.90, 2.91 A)
 &rst
  ixpk= 1189, nxpk= 15, iat= 161, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HD2          15 HID  HN          5.50    (#   1190:15  Preassigned    3.62, 3.76 A)
 &rst
  ixpk= 1190, nxpk= 15, iat= 223, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           15 HID  HN          5.50    (#   1191:15  Preassigned    5.38, 5.50 A)
 &rst
  ixpk= 1191, nxpk= 15, iat= 432, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HN          5.50    (#   1195:15  Preassigned    4.13, 4.38 A)
 &rst
  ixpk= 1195, nxpk= 15, iat= 156, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HN            5 ILE  HN          5.50    (#   1196:15  Preassigned    3.55, 3.60 A)
 &rst
  ixpk= 1196, nxpk= 15, iat= 959,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HB           26 GLN  HE2-        5.50    (#   1198:15  Preassigned    3.52, 3.96 A)
 &rst
  ixpk= 1198, nxpk= 15, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   28 VAL  HA           26 GLN  HE2-        5.50    (#   1199:15  Preassigned    2.97, 4.23 A)
 &rst
  ixpk= 1199, nxpk= 15, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#   26 GLN  HA           26 GLN  HE2+        5.50    (#   1200:15  Preassigned    4.55, 5.31 A)
 &rst
  ixpk= 1200, nxpk= 15, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 386, 387,
 &end
#
#    4 SER  HB2           6 GLN  HE2+        5.50    (#   1201:15  Unique         4.65, 7.33 A)
 &rst
  ixpk= 1201, nxpk= 15, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  76,  77,
 &end
#
#   40 ILE  HG1+          6 GLN  HE2-        5.50    (#   1203:15  Preassigned    4.54, 6.25 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 610, 611,
 igr2=  76,  77,
 &end
#
#   57 ASP  HB3          56 GLY  HN          5.50    (#   1204:15  Preassigned    5.06, 5.19 A)
 &rst
  ixpk= 1204, nxpk= 15, iat= 880, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1205    61 GLY  HN          5.50    (#   1205:15  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 15, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  68,  69,  71,  72, 963,
 &end
#
#   29 ALA  HN           30 ILE  HN          5.50    (#   1207:15  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 1207, nxpk= 15, iat= 422, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HN           64 VAL  HN          5.50    (#   1208:15  Preassigned    4.50, 4.57 A)
 &rst
  ixpk= 1208, nxpk= 15, iat= 959, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          29 ALA  HN          5.50    (#   1209:15  Preassigned    3.19, 3.41 A)
 &rst
  ixpk= 1209, nxpk= 15, iat= 223, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB-          63 ASP  HN          5.50    (#   1210:15  Preassigned    3.73, 4.36 A)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 928,
 &end
#
# 29 ALA N 40 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 617, 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= 599, 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, 584, 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= 566, 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, 550, 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= 534, 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=1005,  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, 697, 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= 691, 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=1024, 769, 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= 755,1038, 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 HN 59 VAL O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 921, 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, 617, 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= 600, 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, 584, 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= 567, 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, 550, 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= 535, 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=1006,  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, 697, 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= 692, 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=1025, 769, 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= 756,1038, 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, 921, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
# 1125 atoms read from pdb file prm1.pdb.
# 3 VAL PHI:  (2 THR C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -164.0 -84.0
 &rst     iat =    15,    17,    19,    31,
   r1 = -165.0, r2 = -164.0, r3 = -84.0, r4 = -83.0,
   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

# 7 MET PHI:  (6 GLN C)-(7 MET N)-(7 MET CA)-(7 MET C) -156.0 -76.0
 &rst     iat =    78,    80,    82,    95,
   r1 = -157.0, r2 = -156.0, r3 = -76.0, r4 = -75.0,
 &end

# 10 ASN PHI:  (9 GLY C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -179.0 -99.0
 &rst     iat =   112,   114,   116,   126,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 11 LEU PHI:  (10 ASN C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -116.0 -36.0
 &rst     iat =   126,   128,   130,   145,
   r1 = -117.0, r2 = -116.0, r3 = -36.0, r4 = -35.0,
 &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) -179.0 -99.0
 &rst     iat =   191,   193,   195,   207,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &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) -169.0 -109.0
 &rst     iat =   291,   293,   295,   308,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &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) -169.0 -109.0
 &rst     iat =   327,   329,   331,   342,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 29 ALA PHI:  (28 VAL C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -169.0 -109.0
 &rst     iat =   419,   421,   423,   429,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &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) -179.0 -99.0
 &rst     iat =   448,   450,   452,   467,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 32 GLU PHI:  (31 LEU C)-(32 GLU N)-(32 GLU CA)-(32 GLU C) -179.0 -99.0
 &rst     iat =   467,   469,   471,   482,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 33 SER PHI:  (32 GLU C)-(33 SER N)-(33 SER CA)-(33 SER C) -179.0 -99.0
 &rst     iat =   482,   484,   486,   493,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 36 MET PHI:  (35 LYS C)-(36 MET N)-(36 MET CA)-(36 MET C) -151.0 -71.0
 &rst     iat =   532,   534,   536,   549,
   r1 = -152.0, r2 = -151.0, r3 = -71.0, r4 = -70.0,
 &end

# 38 ILE PHI:  (37 GLU C)-(38 ILE N)-(38 ILE CA)-(38 ILE C) -169.0 -109.0
 &rst     iat =   564,   566,   568,   583,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 40 ILE PHI:  (39 PRO C)-(40 ILE N)-(40 ILE CA)-(40 ILE C) -169.0 -109.0
 &rst     iat =   597,   599,   601,   616,
   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) -169.0 -109.0
 &rst     iat =   616,   618,   620,   632,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 42 ALA PHI:  (41 VAL C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -143.0 -63.0
 &rst     iat =   632,   634,   636,   642,
   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 =   654,   656,   658,   678,
   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) -146.0 -86.0
 &rst     iat =   696,   698,   700,   715,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end

# 48 VAL PHI:  (47 ILE C)-(48 VAL N)-(48 VAL CA)-(48 VAL C) -129.0 -69.0
 &rst     iat =   715,   717,   719,   731,
   r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
 &end

# 50 GLU PHI:  (49 LYS C)-(50 GLU N)-(50 GLU CA)-(50 GLU C) -177.0 -117.0
 &rst     iat =   753,   755,   757,   768,
   r1 = -178.0, r2 = -177.0, r3 = -117.0, r4 = -116.0,
 &end

# 51 VAL PHI:  (50 GLU C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -142.0 -82.0
 &rst     iat =   768,   770,   772,   784,
   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) -172.0 -112.0
 &rst     iat =   806,   808,   810,   828,
   r1 = -173.0, r2 = -172.0, r3 = -112.0, r4 = -111.0,
 &end

# 54 LYS PHI:  (53 LYS C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -151.0 -91.0
 &rst     iat =   828,   830,   832,   850,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end

# 58 PHE PHI:  (57 ASP C)-(58 PHE N)-(58 PHE CA)-(58 PHE C) -126.0 -66.0
 &rst     iat =   884,   886,   888,   904,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 59 VAL PHI:  (58 PHE C)-(59 VAL N)-(59 VAL CA)-(59 VAL C) -154.0 -74.0
 &rst     iat =   904,   906,   908,   920,
   r1 = -155.0, r2 = -154.0, r3 = -74.0, r4 = -73.0,
 &end

# 60 ASN PHI:  (59 VAL C)-(60 ASN N)-(60 ASN CA)-(60 ASN C) -146.0 -66.0
 &rst     iat =   920,   922,   924,   934,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 66 LEU PHI:  (65 LEU C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -169.0 -109.0
 &rst     iat =  1003,  1005,  1007,  1022,
   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 =  1022,  1024,  1026,  1037,
   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 =  1037,  1039,  1041,  1056,
   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)  98.0 158.0
 &rst     iat =    17,    19,    31,    33,
   r1 =  97.0, r2 =  98.0, r3 = 158.0, r4 = 159.0,
 &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

# 7 MET PSI:  (7 MET N)-(7 MET CA)-(7 MET C)-(8 ALA N) 121.0 181.0
 &rst     iat =    80,    82,    95,    97,
   r1 = 120.0, r2 = 121.0, r3 = 181.0, r4 = 182.0,
 &end

# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 LEU N)  95.0 175.0
 &rst     iat =   114,   116,   126,   128,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &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)  95.0 175.0
 &rst     iat =   193,   195,   207,   209,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &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) 105.0 165.0
 &rst     iat =   293,   295,   308,   310,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 GLU N) 105.0 165.0
 &rst     iat =   310,   312,   327,   329,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &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

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 ILE N) 101.0 181.0
 &rst     iat =   421,   423,   429,   431,
   r1 = 100.0, r2 = 101.0, r3 = 181.0, r4 = 182.0,
 &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)  95.0 175.0
 &rst     iat =   484,   486,   493,   495,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 36 MET PSI:  (36 MET N)-(36 MET CA)-(36 MET C)-(37 GLU N) 113.0 173.0
 &rst     iat =   534,   536,   549,   551,
   r1 = 112.0, r2 = 113.0, r3 = 173.0, r4 = 174.0,
 &end

# 38 ILE PSI:  (38 ILE N)-(38 ILE CA)-(38 ILE C)-(39 PRO N) 105.0 165.0
 &rst     iat =   566,   568,   583,   585,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 39 PRO PSI:  (39 PRO N)-(39 PRO CA)-(39 PRO C)-(40 ILE N) 105.0 165.0
 &rst     iat =   585,   595,   597,   599,
   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) 105.0 165.0
 &rst     iat =   599,   601,   616,   618,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 ALA N) 105.0 165.0
 &rst     iat =   618,   620,   632,   634,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 42 ALA PSI:  (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 ASP N) 105.0 165.0
 &rst     iat =   634,   636,   642,   644,
   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 =   656,   658,   678,   680,
   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) 107.0 167.0
 &rst     iat =   698,   700,   715,   717,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 48 VAL PSI:  (48 VAL N)-(48 VAL CA)-(48 VAL C)-(49 LYS N)  99.0 159.0
 &rst     iat =   717,   719,   731,   733,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 50 GLU PSI:  (50 GLU N)-(50 GLU CA)-(50 GLU C)-(51 VAL N) 112.0 172.0
 &rst     iat =   755,   757,   768,   770,
   r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
 &end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 LYS N)  87.0 147.0
 &rst     iat =   770,   772,   784,   786,
   r1 =  86.0, r2 =  87.0, r3 = 147.0, r4 = 148.0,
 &end

# 53 LYS PSI:  (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 LYS N) 127.0 187.0
 &rst     iat =   808,   810,   828,   830,
   r1 = 126.0, r2 = 127.0, r3 = 187.0, r4 = 188.0,
 &end

# 54 LYS PSI:  (54 LYS N)-(54 LYS CA)-(54 LYS C)-(55 GLU N) 120.0 180.0
 &rst     iat =   830,   832,   850,   852,
   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)  91.0 171.0
 &rst     iat =   886,   888,   904,   906,
   r1 =  90.0, r2 =  91.0, r3 = 171.0, r4 = 172.0,
 &end

# 59 VAL PSI:  (59 VAL N)-(59 VAL CA)-(59 VAL C)-(60 ASN N)  98.0 178.0
 &rst     iat =   906,   908,   920,   922,
   r1 =  97.0, r2 =  98.0, r3 = 178.0, r4 = 179.0,
 &end

# 60 ASN PSI:  (60 ASN N)-(60 ASN CA)-(60 ASN C)-(61 GLU N)  98.0 178.0
 &rst     iat =   922,   924,   934,   936,
   r1 =  97.0, r2 =  98.0, r3 = 178.0, r4 = 179.0,
 &end

# 66 LEU PSI:  (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 GLU N)  95.0 175.0
 &rst     iat =  1005,  1007,  1022,  1024,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 LEU N) 105.0 165.0
 &rst     iat =  1024,  1026,  1037,  1039,
   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 =  1039,  1041,  1056,  1058,
   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

# 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

# 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

# 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

# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) 150.0 210.0
 &rst     iat =   450,   452,   454,   457,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &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

# 33 SER CHI1:  (33 SER N)-(33 SER CA)-(33 SER CB)-(33 SER OG) 150.0 210.0
 &rst     iat =   484,   486,   488,   491,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 37 GLU CHI1:  (37 GLU N)-(37 GLU CA)-(37 GLU CB)-(37 GLU CG) -90.0 -30.0
 &rst     iat =   551,   553,   555,   558,
   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 =   566,   568,   570,   576,
   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 =   599,   601,   603,   609,
   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 =   618,   620,   622,   624,
   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 =   644,   646,   648,   651,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 44 ARG CHI1:  (44 ARG N)-(44 ARG CA)-(44 ARG CB)-(44 ARG CG)  30.0  90.0
 &rst     iat =   656,   658,   660,   663,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 45 SER CHI1:  (45 SER N)-(45 SER CA)-(45 SER CB)-(45 SER OG) -90.0 -30.0
 &rst     iat =   680,   682,   684,   687,
   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 =   698,   700,   702,   708,
   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 =   717,   719,   721,   723,
   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 =   733,   735,   737,   740,
   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 =   755,   757,   759,   762,
   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 =   770,   772,   774,   776,
   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 =   786,   788,   790,   793,
   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 =   808,   810,   812,   815,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 57 ASP CHI1:  (57 ASP N)-(57 ASP CA)-(57 ASP CB)-(57 ASP CG) 150.0 210.0
 &rst     iat =   874,   876,   878,   881,
   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 =   886,   888,   890,   893,
   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 =   906,   908,   910,   912,
   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 =   936,   938,   940,   943,
   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 =   958,   960,   962,   965,
   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) 150.0 210.0
 &rst     iat =   970,   972,   974,   976,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) 150.0 210.0
 &rst     iat =   986,   988,   990,   993,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 66 LEU CHI1:  (66 LEU N)-(66 LEU CA)-(66 LEU CB)-(66 LEU CG)  30.0  90.0
 &rst     iat =  1005,  1007,  1009,  1012,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 68 LEU CHI1:  (68 LEU N)-(68 LEU CA)-(68 LEU CB)-(68 LEU CG) -90.0 -30.0
 &rst     iat =  1039,  1041,  1043,  1046,
   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 35 atoms:  CA CG HB2 HB3
 &rst iat=514,519,517,518, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=516,522,520,521, &end
#
#  chirality for residue 35 atoms:  CD NZ HE2 HE3
 &rst iat=522,528,526,527, &end
#
#  chirality for residue 35 atoms:  CG CE HD2 HD3
 &rst iat=519,525,523,524, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=512,532,515,516, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=536,541,539,540, &end
#
#  chirality for residue 36 atoms:  CB SD HG2 HG3
 &rst iat=538,544,542,543, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=534,549,537,538, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=553,558,556,557, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=555,561,559,560, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=551,564,554,555, &end
#
#  chirality for residue 38 atoms:  CA CG2 CG1 HB
 &rst iat=568,572,576,571, &end
#
#  chirality for residue 38 atoms:  CB CD1 HG12 HG13
 &rst iat=570,579,577,578, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=566,583,569,570, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=595,589,593,594, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=592,586,590,591, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=589,585,587,588, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=585,597,596,592, &end
#
#  chirality for residue 40 atoms:  CA CG2 CG1 HB
 &rst iat=601,605,609,604, &end
#
#  chirality for residue 40 atoms:  CB CD1 HG12 HG13
 &rst iat=603,612,610,611, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=599,616,602,603, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=620,624,628,623, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=618,632,621,622, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=634,642,637,638, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=646,651,649,650, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=644,654,647,648, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=658,663,661,662, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=660,666,664,665, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=663,669,667,668, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=656,678,659,660, &end
#
#  chirality for residue 45 atoms:  CA OG HB2 HB3
 &rst iat=682,687,685,686, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=680,689,683,684, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=691,696,694,695, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=700,704,708,703, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=702,711,709,710, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=698,715,701,702, &end
#
#  chirality for residue 48 atoms:  CA CG1 CG2 HB
 &rst iat=719,723,727,722, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=717,731,720,721, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=735,740,738,739, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=737,743,741,742, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=743,749,747,748, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=740,746,744,745, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=733,753,736,737, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=757,762,760,761, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=759,765,763,764, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=755,768,758,759, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=772,776,780,775, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=770,784,773,774, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=790,796,794,795, &end
#
#  chirality for residue 52 atoms:  CD NZ HE2 HE3
 &rst iat=796,802,800,801, &end
#
#  chirality for residue 52 atoms:  CG CE HD2 HD3
 &rst iat=793,799,797,798, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=786,806,789,790, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=810,815,813,814, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=812,818,816,817, &end
#
#  chirality for residue 53 atoms:  CD NZ HE2 HE3
 &rst iat=818,824,822,823, &end
#
#  chirality for residue 53 atoms:  CG CE HD2 HD3
 &rst iat=815,821,819,820, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=808,828,811,812, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=832,837,835,836, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=834,840,838,839, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=840,846,844,845, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=837,843,841,842, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=830,850,833,834, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=854,859,857,858, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=856,862,860,861, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=852,865,855,856, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=867,872,870,871, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=876,881,879,880, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=874,884,877,878, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=888,893,891,892, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=886,904,889,890, &end
#
#  chirality for residue 59 atoms:  CA CG1 CG2 HB
 &rst iat=908,912,916,911, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=906,920,909,910, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=922,934,925,926, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=938,943,941,942, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=940,946,944,945, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=936,949,939,940, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=951,956,954,955, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=960,965,963,964, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=958,968,961,962, &end
#
#  chirality for residue 64 atoms:  CA CG1 CG2 HB
 &rst iat=972,976,980,975, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=970,984,973,974, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=988,993,991,992, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=990,995,999,994, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=986,1003,989,990, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1007,1012,1010,1011, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=1009,1014,1018,1013, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1005,1022,1008,1009, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1026,1031,1029,1030, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1028,1034,1032,1033, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1024,1037,1027,1028, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1041,1046,1044,1045, &end
#
#  chirality for residue 68 atoms:  CB CD1 CD2 HG
 &rst iat=1043,1048,1052,1047, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1039,1056,1042,1043, &end
#
#  chirality for residue 69 atoms:  CA OG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1058,1067,1061,1062, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1071,1076,1074,1075, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1069,1081,1072,1073, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1085,1090,1088,1089, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1083,1092,1086,1087, &end
#
#  chirality for residue 72 atoms:  CA CG2 OG1 HB
 &rst iat=1096,1100,1104,1099, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1094,1106,1097,1098, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1110,1115,1113,1114, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1112,1118,1116,1117, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1108,1123,1111,1112, &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 32
 &rst iat=471,469,467,452, &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=536,534,532,514, &end
#
#  trans-omega constraint for residue 37
 &rst iat=553,551,549,536, &end
#
#  trans-omega constraint for residue 38
 &rst iat=568,566,564,553, &end
#
#  trans-omega constraint for residue 39
 &rst iat=595,585,583,568, &end
#
#  trans-omega constraint for residue 40
 &rst iat=601,599,597,595, &end
#
#  trans-omega constraint for residue 41
 &rst iat=620,618,616,601, &end
#
#  trans-omega constraint for residue 42
 &rst iat=636,634,632,620, &end
#
#  trans-omega constraint for residue 43
 &rst iat=646,644,642,636, &end
#
#  trans-omega constraint for residue 44
 &rst iat=658,656,654,646, &end
#
#  trans-omega constraint for residue 45
 &rst iat=682,680,678,658, &end
#
#  trans-omega constraint for residue 46
 &rst iat=693,691,689,682, &end
#
#  trans-omega constraint for residue 47
 &rst iat=700,698,696,693, &end
#
#  trans-omega constraint for residue 48
 &rst iat=719,717,715,700, &end
#
#  trans-omega constraint for residue 49
 &rst iat=735,733,731,719, &end
#
#  trans-omega constraint for residue 50
 &rst iat=757,755,753,735, &end
#
#  trans-omega constraint for residue 51
 &rst iat=772,770,768,757, &end
#
#  trans-omega constraint for residue 52
 &rst iat=788,786,784,772, &end
#
#  trans-omega constraint for residue 53
 &rst iat=810,808,806,788, &end
#
#  trans-omega constraint for residue 54
 &rst iat=832,830,828,810, &end
#
#  trans-omega constraint for residue 55
 &rst iat=854,852,850,832, &end
#
#  trans-omega constraint for residue 56
 &rst iat=869,867,865,854, &end
#
#  trans-omega constraint for residue 57
 &rst iat=876,874,872,869, &end
#
#  trans-omega constraint for residue 58
 &rst iat=888,886,884,876, &end
#
#  trans-omega constraint for residue 59
 &rst iat=908,906,904,888, &end
#
#  trans-omega constraint for residue 60
 &rst iat=924,922,920,908, &end
#
#  trans-omega constraint for residue 61
 &rst iat=938,936,934,924, &end
#
#  trans-omega constraint for residue 62
 &rst iat=953,951,949,938, &end
#
#  trans-omega constraint for residue 63
 &rst iat=960,958,956,953, &end
#
#  trans-omega constraint for residue 64
 &rst iat=972,970,968,960, &end
#
#  trans-omega constraint for residue 65
 &rst iat=988,986,984,972, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1007,1005,1003,988, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1026,1024,1022,1007, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1041,1039,1037,1026, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1060,1058,1056,1041, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1060, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1085,1083,1081,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1096,1094,1092,1085, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1110,1108,1106,1096, &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   2          H1        THR   2   4.136  -1.961   1.406
    2   2H    THR   2          H2        THR   2   3.670  -0.460   0.888
    3   3H    THR   2          H3        THR   2   2.636  -1.739   0.762
    4    HA   THR   2           HA       THR   2   3.799  -1.011  -1.323
    5    HB   THR   2           HB       THR   2   6.087  -2.283  -1.441
    6    HG1  THR   2           HG1      THR   2   7.163  -2.423   0.480
    7   1HG2  THR   2          HG21      THR   2   5.964   0.317   0.135
    8   2HG2  THR   2          HG22      THR   2   7.330  -0.306  -0.807
    9   3HG2  THR   2          HG23      THR   2   5.848   0.183  -1.638
   10    H    VAL   3           H        VAL   3   4.178  -2.610  -3.034
   11    HA   VAL   3           HA       VAL   3   3.639  -5.433  -2.399
   12    HB   VAL   3           HB       VAL   3   2.205  -3.879  -4.602
   13   1HG1  VAL   3          HG11      VAL   3   2.727  -6.155  -5.352
   14   2HG1  VAL   3          HG12      VAL   3   2.031  -6.831  -3.863
   15   3HG1  VAL   3          HG13      VAL   3   1.004  -5.996  -5.055
   16   1HG2  VAL   3          HG21      VAL   3   1.110  -3.435  -2.460
   17   2HG2  VAL   3          HG22      VAL   3   0.103  -4.518  -3.418
   18   3HG2  VAL   3          HG23      VAL   3   1.093  -5.171  -2.085
   19    H    SER   4           H        SER   4   4.832  -6.738  -3.927
   20    HA   SER   4           HA       SER   4   6.831  -5.302  -5.602
   21   1HB   SER   4          HB2       SER   4   7.377  -7.434  -3.502
   22   2HB   SER   4          HB3       SER   4   8.586  -6.587  -4.479
   23    HG   SER   4           HG       SER   4   8.341  -5.730  -2.329
   24    H    ILE   5           H        ILE   5   8.063  -6.720  -6.951
   25    HA   ILE   5           HA       ILE   5   6.542  -8.945  -8.117
   26    HB   ILE   5           HB       ILE   5   9.314  -7.853  -8.784
   27   1HG1  ILE   5          HG12      ILE   5   7.805  -6.002  -9.091
   28   2HG1  ILE   5          HG13      ILE   5   8.204  -6.654 -10.660
   29   1HG2  ILE   5          HG21      ILE   5   7.395  -9.615 -10.381
   30   2HG2  ILE   5          HG22      ILE   5   8.861  -8.864 -11.039
   31   3HG2  ILE   5          HG23      ILE   5   9.001 -10.047  -9.757
   32   1HD1  ILE   5          HD11      ILE   5   5.857  -6.072 -10.566
   33   2HD1  ILE   5          HD12      ILE   5   6.021  -7.819 -10.782
   34   3HD1  ILE   5          HD13      ILE   5   5.602  -7.148  -9.185
   35    H    GLN   6           H        GLN   6   7.564 -11.100  -8.255
   36    HA   GLN   6           HA       GLN   6   9.126 -11.781  -5.805
   37   1HB   GLN   6          HB2       GLN   6   7.511 -13.560  -5.365
   38   2HB   GLN   6          HB3       GLN   6   6.745 -11.979  -5.402
   39   1HG   GLN   6          HG2       GLN   6   6.121 -12.535  -7.880
   40   2HG   GLN   6          HG3       GLN   6   6.572 -14.192  -7.483
   41   1HE2  GLN   6          HE22      GLN   6   4.464 -11.442  -6.509
   42   2HE2  GLN   6          HE21      GLN   6   3.157 -12.431  -5.907
   43    H    MET   7           H        MET   7   9.675 -11.661  -8.880
   44    HA   MET   7           HA       MET   7  11.311 -14.044  -9.019
   45   1HB   MET   7          HB2       MET   7  10.360 -14.846 -11.123
   46   2HB   MET   7          HB3       MET   7   9.159 -14.951  -9.844
   47   1HG   MET   7          HG2       MET   7   9.296 -12.715 -11.898
   48   2HG   MET   7          HG3       MET   7   8.322 -14.163 -12.078
   49   1HE   MET   7          HE1       MET   7   6.268 -14.797 -10.439
   50   2HE   MET   7          HE2       MET   7   5.097 -13.459 -10.325
   51   3HE   MET   7          HE3       MET   7   5.816 -13.865 -11.892
   52    H    ALA   8           H        ALA   8  12.771 -13.840 -10.947
   53    HA   ALA   8           HA       ALA   8  13.344 -11.034 -11.645
   54   1HB   ALA   8          HB1       ALA   8  15.297 -11.984 -12.764
   55   2HB   ALA   8          HB2       ALA   8  15.181 -12.577 -11.089
   56   3HB   ALA   8          HB3       ALA   8  14.704 -13.630 -12.448
   57    H    GLY   9           H        GLY   9  12.925 -10.063 -13.628
   58   1HA   GLY   9          HA2       GLY   9  12.618 -11.411 -16.065
   59   2HA   GLY   9          HA3       GLY   9  11.003 -11.301 -15.373
   60    H    ASN  10           H        ASN  10  10.296  -9.892 -17.030
   61    HA   ASN  10           HA       ASN  10  11.143  -7.043 -16.692
   62   1HB   ASN  10          HB2       ASN  10  10.924  -8.631 -19.262
   63   2HB   ASN  10          HB3       ASN  10  10.388  -6.956 -19.235
   64   1HD2  ASN  10          HD22      ASN  10  13.205  -7.970 -17.219
   65   2HD2  ASN  10          HD21      ASN  10  14.375  -7.169 -18.245
   66    H    LEU  11           H        LEU  11   9.386  -5.711 -16.518
   67    HA   LEU  11           HA       LEU  11   6.966  -7.076 -15.750
   68   1HB   LEU  11          HB2       LEU  11   8.184  -5.243 -14.503
   69   2HB   LEU  11          HB3       LEU  11   7.594  -4.109 -15.708
   70    HG   LEU  11           HG       LEU  11   5.231  -4.772 -15.088
   71   1HD1  LEU  11          HD11      LEU  11   6.659  -6.413 -12.944
   72   2HD1  LEU  11          HD12      LEU  11   4.946  -5.954 -12.867
   73   3HD1  LEU  11          HD13      LEU  11   5.508  -7.009 -14.157
   74   1HD2  LEU  11          HD21      LEU  11   7.014  -3.839 -12.791
   75   2HD2  LEU  11          HD22      LEU  11   6.385  -2.823 -14.113
   76   3HD2  LEU  11          HD23      LEU  11   5.270  -3.551 -12.955
   77    H    TRP  12           H        TRP  12   6.463  -7.825 -17.904
   78    HA   TRP  12           HA       TRP  12   6.041  -6.872 -20.259
   79   1HB   TRP  12          HB2       TRP  12   5.251  -9.077 -19.210
   80   2HB   TRP  12          HB3       TRP  12   3.729  -8.275 -18.888
   81    HD1  TRP  12           HD1      TRP  12   6.014  -9.117 -21.828
   82    HE1  TRP  12           HE1      TRP  12   4.644  -9.696 -23.903
   83    HE3  TRP  12           HE3      TRP  12   1.362  -8.141 -19.973
   84    HZ2  TRP  12           HZ2      TRP  12   1.836  -9.775 -24.648
   85    HZ3  TRP  12           HZ3      TRP  12  -0.655  -8.534 -21.361
   86    HH2  TRP  12           HH2      TRP  12  -0.429  -9.343 -23.701
   87    H    LYS  13           H        LYS  13   3.363  -6.295 -17.881
   88    HA   LYS  13           HA       LYS  13   2.883  -3.646 -19.028
   89   1HB   LYS  13          HB2       LYS  13   0.768  -5.849 -19.030
   90   2HB   LYS  13          HB3       LYS  13   0.383  -4.129 -19.144
   91   1HG   LYS  13          HG2       LYS  13   1.794  -3.986 -21.222
   92   2HG   LYS  13          HG3       LYS  13   1.998  -5.746 -21.149
   93   1HD   LYS  13          HD2       LYS  13  -0.516  -5.980 -21.222
   94   2HD   LYS  13          HD3       LYS  13  -0.620  -4.223 -21.467
   95   1HE   LYS  13          HE2       LYS  13   0.825  -4.452 -23.501
   96   2HE   LYS  13          HE3       LYS  13   0.866  -6.204 -23.258
   97   1HZ   LYS  13          HZ1       LYS  13  -0.804  -5.574 -24.879
   98   2HZ   LYS  13          HZ2       LYS  13  -1.545  -6.233 -23.587
   99   3HZ   LYS  13          HZ3       LYS  13  -1.574  -4.613 -23.816
  100    H    VAL  14           H        VAL  14   1.358  -2.424 -17.600
  101    HA   VAL  14           HA       VAL  14   0.954  -3.497 -14.883
  102    HB   VAL  14           HB       VAL  14   2.193  -0.764 -15.484
  103   1HG1  VAL  14          HG11      VAL  14   2.476  -0.647 -12.993
  104   2HG1  VAL  14          HG12      VAL  14   0.786  -0.663 -13.479
  105   3HG1  VAL  14          HG13      VAL  14   1.538  -2.142 -12.830
  106   1HG2  VAL  14          HG21      VAL  14   4.180  -1.653 -14.244
  107   2HG2  VAL  14          HG22      VAL  14   3.420  -3.267 -14.280
  108   3HG2  VAL  14          HG23      VAL  14   3.916  -2.463 -15.786
  109    H    HIS  15           H        HIS  15  -0.984  -2.660 -14.007
  110    HA   HIS  15           HA       HIS  15  -2.691  -1.223 -15.997
  111   1HB   HIS  15          HB2       HIS  15  -3.686  -3.204 -13.960
  112   2HB   HIS  15          HB3       HIS  15  -4.432  -2.704 -15.474
  113    HD1  HIS  15           HD1      HIS  15  -2.235  -3.465 -17.598
  114    HD2  HIS  15           HD2      HIS  15  -3.014  -5.650 -14.091
  115    HE1  HIS  15           HE1      HIS  15  -1.177  -5.771 -17.924
  116    H    VAL  16           H        VAL  16  -1.538  -1.166 -12.698
  117    HA   VAL  16           HA       VAL  16  -3.690   0.506 -11.671
  118    HB   VAL  16           HB       VAL  16  -2.097   0.858  -9.775
  119   1HG1  VAL  16          HG11      VAL  16  -3.810  -0.876  -9.709
  120   2HG1  VAL  16          HG12      VAL  16  -2.706  -2.034 -10.477
  121   3HG1  VAL  16          HG13      VAL  16  -2.345  -1.377  -8.857
  122   1HG2  VAL  16          HG21      VAL  16   0.026   0.432 -11.136
  123   2HG2  VAL  16          HG22      VAL  16  -0.078  -0.294  -9.539
  124   3HG2  VAL  16          HG23      VAL  16  -0.339  -1.302 -10.983
  125    H    LYS  17           H        LYS  17  -3.239   2.611 -10.726
  126    HA   LYS  17           HA       LYS  17  -1.087   4.225 -11.760
  127   1HB   LYS  17          HB2       LYS  17  -2.536   6.071 -12.484
  128   2HB   LYS  17          HB3       LYS  17  -2.754   4.662 -13.517
  129   1HG   LYS  17          HG2       LYS  17  -4.860   4.095 -12.403
  130   2HG   LYS  17          HG3       LYS  17  -4.662   5.406 -11.241
  131   1HD   LYS  17          HD2       LYS  17  -4.974   5.743 -14.249
  132   2HD   LYS  17          HD3       LYS  17  -6.272   5.922 -13.077
  133   1HE   LYS  17          HE2       LYS  17  -3.762   7.662 -13.200
  134   2HE   LYS  17          HE3       LYS  17  -5.335   8.087 -13.866
  135   1HZ   LYS  17          HZ1       LYS  17  -5.059   9.096 -11.731
  136   2HZ   LYS  17          HZ2       LYS  17  -6.245   7.990 -11.607
  137   3HZ   LYS  17          HZ3       LYS  17  -4.755   7.684 -10.979
  138    H    ALA  18           H        ALA  18  -0.984   6.213 -10.334
  139    HA   ALA  18           HA       ALA  18  -1.680   5.759  -7.614
  140   1HB   ALA  18          HB1       ALA  18   0.064   7.369  -8.303
  141   2HB   ALA  18          HB2       ALA  18  -1.177   8.399  -9.061
  142   3HB   ALA  18          HB3       ALA  18  -1.173   8.154  -7.302
  143    H    GLY  19           H        GLY  19  -3.486   6.265  -6.435
  144   1HA   GLY  19          HA2       GLY  19  -5.553   7.160  -5.921
  145   2HA   GLY  19          HA3       GLY  19  -5.704   7.826  -7.553
  146    H    ASP  20           H        ASP  20  -4.838   4.686  -8.219
  147    HA   ASP  20           HA       ASP  20  -7.570   3.848  -8.747
  148   1HB   ASP  20          HB2       ASP  20  -5.566   3.289 -10.174
  149   2HB   ASP  20          HB3       ASP  20  -5.010   2.213  -8.883
  150    H    GLN  21           H        GLN  21  -8.313   1.645  -7.979
  151    HA   GLN  21           HA       GLN  21  -7.720   1.206  -5.073
  152   1HB   GLN  21          HB2       GLN  21 -10.035   1.955  -5.458
  153   2HB   GLN  21          HB3       GLN  21 -10.227   0.781  -6.752
  154   1HG   GLN  21          HG2       GLN  21 -11.410  -0.121  -4.959
  155   2HG   GLN  21          HG3       GLN  21  -9.951  -1.078  -5.026
  156   1HE2  GLN  21          HE22      GLN  21  -8.823  -1.320  -3.021
  157   2HE2  GLN  21          HE21      GLN  21  -9.154  -0.313  -1.634
  158    H    ILE  22           H        ILE  22  -6.957  -0.804  -4.568
  159    HA   ILE  22           HA       ILE  22  -7.403  -2.992  -6.506
  160    HB   ILE  22           HB       ILE  22  -5.267  -3.930  -6.182
  161   1HG1  ILE  22          HG12      ILE  22  -4.618  -1.648  -4.272
  162   2HG1  ILE  22          HG13      ILE  22  -4.774  -3.363  -3.879
  163   1HG2  ILE  22          HG21      ILE  22  -4.835  -0.995  -6.849
  164   2HG2  ILE  22          HG22      ILE  22  -3.872  -2.375  -7.400
  165   3HG2  ILE  22          HG23      ILE  22  -5.534  -2.192  -7.953
  166   1HD1  ILE  22          HD11      ILE  22  -2.577  -1.985  -5.437
  167   2HD1  ILE  22          HD12      ILE  22  -2.455  -3.015  -3.989
  168   3HD1  ILE  22          HD13      ILE  22  -2.818  -3.733  -5.561
  169    H    GLU  23           H        GLU  23  -7.356  -5.119  -5.471
  170    HA   GLU  23           HA       GLU  23  -8.131  -5.144  -2.636
  171   1HB   GLU  23          HB2       GLU  23 -10.192  -4.869  -3.945
  172   2HB   GLU  23          HB3       GLU  23  -9.765  -6.270  -4.943
  173   1HG   GLU  23          HG2       GLU  23  -9.890  -7.730  -2.941
  174   2HG   GLU  23          HG3       GLU  23 -10.242  -6.327  -1.929
  175    H    LYS  24           H        LYS  24  -7.489  -7.191  -1.706
  176    HA   LYS  24           HA       LYS  24  -5.208  -8.366  -2.747
  177   1HB   LYS  24          HB2       LYS  24  -6.012  -8.571  -0.410
  178   2HB   LYS  24          HB3       LYS  24  -7.267  -9.702  -0.939
  179   1HG   LYS  24          HG2       LYS  24  -5.576 -11.326  -1.654
  180   2HG   LYS  24          HG3       LYS  24  -4.283 -10.155  -1.388
  181   1HD   LYS  24          HD2       LYS  24  -4.298 -11.756   0.420
  182   2HD   LYS  24          HD3       LYS  24  -4.758 -10.168   1.048
  183   1HE   LYS  24          HE2       LYS  24  -7.154 -10.839   0.991
  184   2HE   LYS  24          HE3       LYS  24  -6.704 -12.408   0.312
  185   1HZ   LYS  24          HZ1       LYS  24  -7.057 -12.541   2.693
  186   2HZ   LYS  24          HZ2       LYS  24  -5.498 -12.875   2.365
  187   3HZ   LYS  24          HZ3       LYS  24  -5.912 -11.423   2.994
  188    H    GLY  25           H        GLY  25  -4.759  -9.668  -4.432
  189   1HA   GLY  25          HA2       GLY  25  -4.980 -11.523  -5.809
  190   2HA   GLY  25          HA3       GLY  25  -6.658 -11.738  -5.307
  191    H    GLN  26           H        GLN  26  -6.649  -8.506  -6.075
  192    HA   GLN  26           HA       GLN  26  -7.744  -8.804  -8.731
  193   1HB   GLN  26          HB2       GLN  26  -8.274  -6.974  -7.067
  194   2HB   GLN  26          HB3       GLN  26  -6.639  -6.338  -7.307
  195   1HG   GLN  26          HG2       GLN  26  -7.191  -5.980  -9.729
  196   2HG   GLN  26          HG3       GLN  26  -8.835  -6.538  -9.413
  197   1HE2  GLN  26          HE22      GLN  26  -6.951  -3.762  -9.680
  198   2HE2  GLN  26          HE21      GLN  26  -7.892  -2.668  -8.677
  199    H    GLU  27           H        GLU  27  -6.649  -8.456 -10.716
  200    HA   GLU  27           HA       GLU  27  -3.789  -8.873 -10.801
  201   1HB   GLU  27          HB2       GLU  27  -5.480  -9.656 -12.494
  202   2HB   GLU  27          HB3       GLU  27  -5.711  -7.975 -12.989
  203   1HG   GLU  27          HG2       GLU  27  -3.314  -7.863 -13.657
  204   2HG   GLU  27          HG3       GLU  27  -3.077  -9.516 -13.090
  205    H    VAL  28           H        VAL  28  -2.176  -7.408 -11.234
  206    HA   VAL  28           HA       VAL  28  -2.813  -4.491 -11.120
  207    HB   VAL  28           HB       VAL  28  -0.989  -6.231  -9.412
  208   1HG1  VAL  28          HG11      VAL  28  -0.048  -4.310  -8.350
  209   2HG1  VAL  28          HG12      VAL  28   0.286  -4.180 -10.083
  210   3HG1  VAL  28          HG13      VAL  28  -0.993  -3.201  -9.366
  211   1HG2  VAL  28          HG21      VAL  28  -3.295  -5.979  -8.580
  212   2HG2  VAL  28          HG22      VAL  28  -2.177  -5.091  -7.541
  213   3HG2  VAL  28          HG23      VAL  28  -3.182  -4.222  -8.721
  214    H    ALA  29           H        ALA  29  -0.526  -7.115 -12.110
  215    HA   ALA  29           HA       ALA  29   0.313  -5.517 -14.386
  216   1HB   ALA  29          HB1       ALA  29   1.859  -4.646 -12.645
  217   2HB   ALA  29          HB2       ALA  29   2.329  -6.297 -12.209
  218   3HB   ALA  29          HB3       ALA  29   2.741  -5.646 -13.802
  219    H    ILE  30           H        ILE  30   2.172  -6.894 -15.492
  220    HA   ILE  30           HA       ILE  30   1.783  -9.802 -15.118
  221    HB   ILE  30           HB       ILE  30   1.498  -8.275 -17.739
  222   1HG1  ILE  30          HG12      ILE  30  -0.392 -10.280 -16.416
  223   2HG1  ILE  30          HG13      ILE  30  -0.576  -8.534 -16.329
  224   1HG2  ILE  30          HG21      ILE  30   1.730 -11.299 -17.337
  225   2HG2  ILE  30          HG22      ILE  30   1.401 -10.486 -18.882
  226   3HG2  ILE  30          HG23      ILE  30   2.953 -10.272 -18.114
  227   1HD1  ILE  30          HD11      ILE  30  -0.812  -8.413 -18.795
  228   2HD1  ILE  30          HD12      ILE  30  -0.799 -10.195 -18.855
  229   3HD1  ILE  30          HD13      ILE  30  -2.081  -9.346 -17.986
  230    H    LEU  31           H        LEU  31   3.672 -10.880 -15.480
  231    HA   LEU  31           HA       LEU  31   6.167  -9.297 -15.923
  232   1HB   LEU  31          HB2       LEU  31   5.885  -9.892 -13.629
  233   2HB   LEU  31          HB3       LEU  31   5.408 -11.550 -14.010
  234    HG   LEU  31           HG       LEU  31   7.626 -11.147 -12.943
  235   1HD1  LEU  31          HD11      LEU  31   8.816 -12.874 -14.158
  236   2HD1  LEU  31          HD12      LEU  31   7.101 -13.284 -14.000
  237   3HD1  LEU  31          HD13      LEU  31   7.736 -12.709 -15.549
  238   1HD2  LEU  31          HD21      LEU  31   9.474 -10.334 -14.050
  239   2HD2  LEU  31          HD22      LEU  31   8.697 -10.397 -15.646
  240   3HD2  LEU  31          HD23      LEU  31   8.194  -9.178 -14.458
  241    H    GLU  32           H        GLU  32   7.514 -10.127 -17.487
  242    HA   GLU  32           HA       GLU  32   6.766 -12.667 -18.847
  243   1HB   GLU  32          HB2       GLU  32   6.733 -10.659 -20.279
  244   2HB   GLU  32          HB3       GLU  32   8.388 -10.264 -19.796
  245   1HG   GLU  32          HG2       GLU  32   9.125 -12.480 -20.783
  246   2HG   GLU  32          HG3       GLU  32   7.473 -12.730 -21.342
  247    H    SER  33           H        SER  33   8.128 -14.335 -18.441
  248    HA   SER  33           HA       SER  33  10.947 -14.107 -18.244
  249   1HB   SER  33          HB2       SER  33  10.230 -13.280 -15.911
  250   2HB   SER  33          HB3       SER  33   9.607 -14.907 -15.618
  251    HG   SER  33           HG       SER  33  11.863 -14.241 -15.007
  252    H    MET  34           H        MET  34  11.828 -16.393 -17.727
  253    HA   MET  34           HA       MET  34  11.890 -18.598 -18.291
  254   1HB   MET  34          HB2       MET  34   9.134 -18.603 -16.999
  255   2HB   MET  34          HB3       MET  34  10.187 -20.000 -17.190
  256   1HG   MET  34          HG2       MET  34  11.790 -19.168 -15.649
  257   2HG   MET  34          HG3       MET  34  11.080 -17.558 -15.613
  258   1HE   MET  34          HE1       MET  34   8.092 -17.690 -15.145
  259   2HE   MET  34          HE2       MET  34   7.985 -17.797 -13.378
  260   3HE   MET  34          HE3       MET  34   9.194 -16.737 -14.128
  261    H    LYS  35           H        LYS  35  10.941 -16.862 -20.402
  262    HA   LYS  35           HA       LYS  35   9.862 -16.735 -22.366
  263   1HB   LYS  35          HB2       LYS  35  10.176 -19.761 -22.392
  264   2HB   LYS  35          HB3       LYS  35   9.834 -18.734 -23.788
  265   1HG   LYS  35          HG2       LYS  35  11.989 -17.537 -23.442
  266   2HG   LYS  35          HG3       LYS  35  12.367 -18.630 -22.094
  267   1HD   LYS  35          HD2       LYS  35  12.254 -20.573 -23.629
  268   2HD   LYS  35          HD3       LYS  35  11.885 -19.480 -24.984
  269   1HE   LYS  35          HE2       LYS  35  14.046 -18.305 -24.616
  270   2HE   LYS  35          HE3       LYS  35  14.414 -19.394 -23.273
  271   1HZ   LYS  35          HZ1       LYS  35  14.077 -20.227 -26.097
  272   2HZ   LYS  35          HZ2       LYS  35  15.495 -20.102 -25.307
  273   3HZ   LYS  35          HZ3       LYS  35  14.417 -21.235 -24.855
  274    H    MET  36           H        MET  36   8.139 -16.696 -20.092
  275    HA   MET  36           HA       MET  36   5.570 -17.402 -21.357
  276   1HB   MET  36          HB2       MET  36   6.458 -18.146 -18.524
  277   2HB   MET  36          HB3       MET  36   4.781 -18.172 -19.074
  278   1HG   MET  36          HG2       MET  36   5.353 -19.843 -20.800
  279   2HG   MET  36          HG3       MET  36   7.019 -19.869 -20.216
  280   1HE   MET  36          HE1       MET  36   5.740 -23.367 -19.100
  281   2HE   MET  36          HE2       MET  36   5.336 -22.490 -20.592
  282   3HE   MET  36          HE3       MET  36   7.000 -22.458 -19.964
  283    H    GLU  37           H        GLU  37   3.803 -16.327 -19.893
  284    HA   GLU  37           HA       GLU  37   4.774 -13.796 -18.693
  285   1HB   GLU  37          HB2       GLU  37   2.189 -14.139 -20.266
  286   2HB   GLU  37          HB3       GLU  37   2.684 -12.728 -19.344
  287   1HG   GLU  37          HG2       GLU  37   3.203 -12.095 -21.503
  288   2HG   GLU  37          HG3       GLU  37   4.759 -12.601 -20.860
  289    H    ILE  38           H        ILE  38   3.803 -13.328 -16.733
  290    HA   ILE  38           HA       ILE  38   2.105 -15.421 -15.485
  291    HB   ILE  38           HB       ILE  38   4.647 -14.141 -14.358
  292   1HG1  ILE  38          HG12      ILE  38   5.213 -16.790 -14.291
  293   2HG1  ILE  38          HG13      ILE  38   4.161 -16.805 -15.693
  294   1HG2  ILE  38          HG21      ILE  38   3.011 -14.581 -12.587
  295   2HG2  ILE  38          HG22      ILE  38   2.795 -16.251 -13.166
  296   3HG2  ILE  38          HG23      ILE  38   4.339 -15.723 -12.470
  297   1HD1  ILE  38          HD11      ILE  38   5.722 -15.022 -16.717
  298   2HD1  ILE  38          HD12      ILE  38   6.759 -15.253 -15.302
  299   3HD1  ILE  38          HD13      ILE  38   6.461 -16.597 -16.416
  300    HA   PRO  39           HA       PRO  39   0.105 -11.501 -14.420
  301   1HB   PRO  39          HB2       PRO  39  -1.874 -12.394 -12.750
  302   2HB   PRO  39          HB3       PRO  39  -1.921 -12.619 -14.527
  303   1HG   PRO  39          HG2       PRO  39  -1.029 -14.608 -12.421
  304   2HG   PRO  39          HG3       PRO  39  -2.132 -14.881 -13.807
  305   1HD   PRO  39          HD2       PRO  39   0.524 -15.529 -13.890
  306   2HD   PRO  39          HD3       PRO  39  -0.341 -14.932 -15.339
  307    H    ILE  40           H        ILE  40   0.174 -10.059 -12.696
  308    HA   ILE  40           HA       ILE  40   1.332 -10.970 -10.105
  309    HB   ILE  40           HB       ILE  40   1.851  -8.391 -11.613
  310   1HG1  ILE  40          HG12      ILE  40   3.092 -10.199 -12.694
  311   2HG1  ILE  40          HG13      ILE  40   4.123  -8.996 -11.954
  312   1HG2  ILE  40          HG21      ILE  40   1.861  -7.939  -9.250
  313   2HG2  ILE  40          HG22      ILE  40   2.881  -9.355  -8.920
  314   3HG2  ILE  40          HG23      ILE  40   3.532  -7.967  -9.809
  315   1HD1  ILE  40          HD11      ILE  40   4.952 -11.289 -11.619
  316   2HD1  ILE  40          HD12      ILE  40   4.629 -10.493 -10.075
  317   3HD1  ILE  40          HD13      ILE  40   3.490 -11.706 -10.710
  318    H    VAL  41           H        VAL  41   0.161 -10.289  -8.387
  319    HA   VAL  41           HA       VAL  41  -2.309  -8.722  -8.906
  320    HB   VAL  41           HB       VAL  41  -3.347 -10.320  -7.219
  321   1HG1  VAL  41          HG11      VAL  41  -3.934 -10.559  -9.525
  322   2HG1  VAL  41          HG12      VAL  41  -2.444 -11.465  -9.891
  323   3HG1  VAL  41          HG13      VAL  41  -3.705 -12.162  -8.848
  324   1HG2  VAL  41          HG21      VAL  41  -2.380 -12.495  -6.845
  325   2HG2  VAL  41          HG22      VAL  41  -0.978 -12.124  -7.861
  326   3HG2  VAL  41          HG23      VAL  41  -1.215 -11.277  -6.309
  327    H    ALA  42           H        ALA  42  -3.291  -7.825  -6.981
  328    HA   ALA  42           HA       ALA  42  -1.491  -6.420  -5.245
  329   1HB   ALA  42          HB1       ALA  42  -3.505  -5.705  -4.096
  330   2HB   ALA  42          HB2       ALA  42  -3.856  -5.720  -5.844
  331   3HB   ALA  42          HB3       ALA  42  -4.440  -7.028  -4.810
  332    H    ASP  43           H        ASP  43  -0.373  -7.298  -3.566
  333    HA   ASP  43           HA       ASP  43  -0.994  -9.856  -2.389
  334   1HB   ASP  43          HB2       ASP  43   1.288  -8.970  -2.479
  335   2HB   ASP  43          HB3       ASP  43   0.820  -7.586  -1.489
  336    H    ARG  44           H        ARG  44  -2.143  -6.604  -1.801
  337    HA   ARG  44           HA       ARG  44  -4.021  -7.545   0.166
  338   1HB   ARG  44          HB2       ARG  44  -3.526  -5.977   1.912
  339   2HB   ARG  44          HB3       ARG  44  -2.130  -7.003   1.681
  340   1HG   ARG  44          HG2       ARG  44  -2.390  -4.182   0.530
  341   2HG   ARG  44          HG3       ARG  44  -1.709  -4.530   2.112
  342   1HD   ARG  44          HD2       ARG  44  -0.587  -5.393  -0.573
  343   2HD   ARG  44          HD3       ARG  44   0.067  -4.157   0.482
  344    HE   ARG  44           HE       ARG  44   0.356  -7.063   0.732
  345   1HH1  ARG  44          HH21      ARG  44   0.651  -4.026   2.586
  346   2HH1  ARG  44          HH22      ARG  44   1.774  -4.705   3.704
  347   1HH2  ARG  44          HH11      ARG  44   1.739  -7.896   2.090
  348   2HH2  ARG  44          HH12      ARG  44   2.432  -7.015   3.440
  349    H    SER  45           H        SER  45  -5.743  -5.920   0.472
  350    HA   SER  45           HA       SER  45  -6.273  -4.331  -1.843
  351   1HB   SER  45          HB2       SER  45  -7.607  -4.235   0.897
  352   2HB   SER  45          HB3       SER  45  -8.337  -3.842  -0.669
  353    HG   SER  45           HG       SER  45  -8.828  -5.983   0.214
  354    H    GLY  46           H        GLY  46  -6.549  -1.990  -1.941
  355   1HA   GLY  46          HA2       GLY  46  -6.369  -0.166   0.088
  356   2HA   GLY  46          HA3       GLY  46  -4.679  -0.398  -0.375
  357    H    ILE  47           H        ILE  47  -5.386   2.069  -0.745
  358    HA   ILE  47           HA       ILE  47  -6.218   2.456  -3.577
  359    HB   ILE  47           HB       ILE  47  -5.581   4.428  -1.340
  360   1HG1  ILE  47          HG12      ILE  47  -7.782   3.371  -1.043
  361   2HG1  ILE  47          HG13      ILE  47  -7.905   5.084  -1.392
  362   1HG2  ILE  47          HG21      ILE  47  -6.376   6.195  -2.934
  363   2HG2  ILE  47          HG22      ILE  47  -4.841   5.453  -3.384
  364   3HG2  ILE  47          HG23      ILE  47  -6.325   4.985  -4.235
  365   1HD1  ILE  47          HD11      ILE  47  -9.637   3.818  -2.569
  366   2HD1  ILE  47          HD12      ILE  47  -8.558   4.586  -3.738
  367   3HD1  ILE  47          HD13      ILE  47  -8.411   2.845  -3.401
  368    H    VAL  48           H        VAL  48  -4.629   2.852  -5.070
  369    HA   VAL  48           HA       VAL  48  -1.863   2.264  -4.433
  370    HB   VAL  48           HB       VAL  48  -3.084   3.395  -6.952
  371   1HG1  VAL  48          HG11      VAL  48  -0.592   3.583  -6.837
  372   2HG1  VAL  48          HG12      VAL  48  -0.478   1.847  -6.469
  373   3HG1  VAL  48          HG13      VAL  48  -1.108   2.395  -8.039
  374   1HG2  VAL  48          HG21      VAL  48  -2.596   0.489  -6.153
  375   2HG2  VAL  48          HG22      VAL  48  -4.177   1.256  -6.419
  376   3HG2  VAL  48          HG23      VAL  48  -3.076   1.060  -7.771
  377    H    LYS  49           H        LYS  49  -0.724   3.685  -3.233
  378    HA   LYS  49           HA       LYS  49  -1.296   6.561  -3.288
  379   1HB   LYS  49          HB2       LYS  49  -0.637   5.416  -1.187
  380   2HB   LYS  49          HB3       LYS  49   0.896   4.933  -1.915
  381   1HG   LYS  49          HG2       LYS  49   1.232   6.802  -0.428
  382   2HG   LYS  49          HG3       LYS  49   1.575   7.305  -2.083
  383   1HD   LYS  49          HD2       LYS  49  -0.630   8.451  -2.207
  384   2HD   LYS  49          HD3       LYS  49  -1.053   7.817  -0.613
  385   1HE   LYS  49          HE2       LYS  49  -0.406  10.101  -0.333
  386   2HE   LYS  49          HE3       LYS  49   0.842   9.088   0.392
  387   1HZ   LYS  49          HZ1       LYS  49   1.024  10.376  -2.277
  388   2HZ   LYS  49          HZ2       LYS  49   1.769  10.894  -0.927
  389   3HZ   LYS  49          HZ3       LYS  49   2.203   9.471  -1.585
  390    H    GLU  50           H        GLU  50   1.194   4.234  -4.527
  391    HA   GLU  50           HA       GLU  50   1.847   6.148  -6.634
  392   1HB   GLU  50          HB2       GLU  50   3.261   6.791  -4.568
  393   2HB   GLU  50          HB3       GLU  50   4.103   5.255  -4.776
  394   1HG   GLU  50          HG2       GLU  50   4.883   5.946  -6.992
  395   2HG   GLU  50          HG3       GLU  50   3.859   7.382  -6.953
  396    H    VAL  51           H        VAL  51   3.360   5.084  -8.247
  397    HA   VAL  51           HA       VAL  51   3.444   2.117  -8.042
  398    HB   VAL  51           HB       VAL  51   2.931   3.694 -10.603
  399   1HG1  VAL  51          HG11      VAL  51   2.374   1.466 -11.539
  400   2HG1  VAL  51          HG12      VAL  51   4.039   1.500 -10.952
  401   3HG1  VAL  51          HG13      VAL  51   2.776   0.698  -9.991
  402   1HG2  VAL  51          HG21      VAL  51   0.634   2.751 -10.552
  403   2HG2  VAL  51          HG22      VAL  51   0.957   2.095  -8.930
  404   3HG2  VAL  51          HG23      VAL  51   0.904   3.853  -9.204
  405    H    LYS  52           H        LYS  52   5.459   1.320  -8.445
  406    HA   LYS  52           HA       LYS  52   7.610   3.374  -8.581
  407   1HB   LYS  52          HB2       LYS  52   7.667   0.501  -7.578
  408   2HB   LYS  52          HB3       LYS  52   8.943   1.695  -7.380
  409   1HG   LYS  52          HG2       LYS  52   6.214   1.643  -6.038
  410   2HG   LYS  52          HG3       LYS  52   7.781   1.392  -5.295
  411   1HD   LYS  52          HD2       LYS  52   6.728   4.031  -6.389
  412   2HD   LYS  52          HD3       LYS  52   6.870   3.550  -4.695
  413   1HE   LYS  52          HE2       LYS  52   9.391   3.258  -5.117
  414   2HE   LYS  52          HE3       LYS  52   9.127   4.058  -6.673
  415   1HZ   LYS  52          HZ1       LYS  52   9.752   5.714  -5.123
  416   2HZ   LYS  52          HZ2       LYS  52   8.131   5.931  -5.328
  417   3HZ   LYS  52          HZ3       LYS  52   8.704   5.203  -3.984
  418    H    LYS  53           H        LYS  53   6.161   1.356 -10.772
  419    HA   LYS  53           HA       LYS  53   8.638   0.862 -12.319
  420   1HB   LYS  53          HB2       LYS  53   6.529  -1.213 -11.535
  421   2HB   LYS  53          HB3       LYS  53   7.710  -1.462 -12.813
  422   1HG   LYS  53          HG2       LYS  53   8.486  -0.968  -9.918
  423   2HG   LYS  53          HG3       LYS  53   8.296  -2.563 -10.659
  424   1HD   LYS  53          HD2       LYS  53   9.998  -2.000 -12.357
  425   2HD   LYS  53          HD3       LYS  53  10.248  -0.415 -11.597
  426   1HE   LYS  53          HE2       LYS  53  11.083  -1.442  -9.561
  427   2HE   LYS  53          HE3       LYS  53  10.669  -3.051 -10.129
  428   1HZ   LYS  53          HZ1       LYS  53  12.741  -1.277 -11.274
  429   2HZ   LYS  53          HZ2       LYS  53  12.931  -2.746 -10.519
  430   3HZ   LYS  53          HZ3       LYS  53  12.258  -2.662 -12.007
  431    H    LYS  54           H        LYS  54   7.813  -0.192 -14.540
  432    HA   LYS  54           HA       LYS  54   5.313   0.995 -15.469
  433   1HB   LYS  54          HB2       LYS  54   6.304   2.234 -17.276
  434   2HB   LYS  54          HB3       LYS  54   6.980   2.847 -15.770
  435   1HG   LYS  54          HG2       LYS  54   9.086   1.663 -16.157
  436   2HG   LYS  54          HG3       LYS  54   8.403   0.794 -17.527
  437   1HD   LYS  54          HD2       LYS  54   8.012   3.182 -18.570
  438   2HD   LYS  54          HD3       LYS  54   9.177   3.702 -17.346
  439   1HE   LYS  54          HE2       LYS  54  10.482   3.242 -19.272
  440   2HE   LYS  54          HE3       LYS  54  10.728   1.849 -18.215
  441   1HZ   LYS  54          HZ1       LYS  54  10.315   1.115 -20.454
  442   2HZ   LYS  54          HZ2       LYS  54   8.990   0.683 -19.589
  443   3HZ   LYS  54          HZ3       LYS  54   8.944   1.979 -20.583
  444    H    GLU  55           H        GLU  55   4.981   0.322 -17.788
  445    HA   GLU  55           HA       GLU  55   5.286  -2.434 -18.201
  446   1HB   GLU  55          HB2       GLU  55   5.024  -0.320 -20.388
  447   2HB   GLU  55          HB3       GLU  55   4.587  -2.021 -20.471
  448   1HG   GLU  55          HG2       GLU  55   2.508  -1.202 -20.116
  449   2HG   GLU  55          HG3       GLU  55   2.975  -1.360 -18.429
  450    H    GLY  56           H        GLY  56   6.878  -3.676 -18.969
  451   1HA   GLY  56          HA2       GLY  56   8.666  -4.397 -20.173
  452   2HA   GLY  56          HA3       GLY  56   8.828  -2.790 -20.894
  453    H    ASP  57           H        ASP  57   8.907  -2.299 -17.516
  454    HA   ASP  57           HA       ASP  57  11.770  -1.818 -17.633
  455   1HB   ASP  57          HB2       ASP  57  10.207  -0.423 -16.286
  456   2HB   ASP  57          HB3       ASP  57   9.953  -1.793 -15.197
  457    H    PHE  58           H        PHE  58  13.345  -2.792 -16.197
  458    HA   PHE  58           HA       PHE  58  13.182  -5.710 -16.033
  459   1HB   PHE  58          HB2       PHE  58  15.316  -4.594 -16.493
  460   2HB   PHE  58          HB3       PHE  58  15.175  -3.658 -15.011
  461    HD1  PHE  58           HD1      PHE  58  15.761  -4.601 -12.843
  462    HD2  PHE  58           HD2      PHE  58  15.824  -7.051 -16.396
  463    HE1  PHE  58           HE1      PHE  58  17.034  -6.346 -11.623
  464    HE2  PHE  58           HE2      PHE  58  17.090  -8.794 -15.169
  465    HZ   PHE  58           HZ       PHE  58  17.724  -8.434 -12.792
  466    H    VAL  59           H        VAL  59  12.876  -6.934 -14.142
  467    HA   VAL  59           HA       VAL  59  12.453  -5.553 -11.590
  468    HB   VAL  59           HB       VAL  59  10.339  -6.939 -11.279
  469   1HG1  VAL  59          HG11      VAL  59  10.195  -4.579 -13.194
  470   2HG1  VAL  59          HG12      VAL  59   8.880  -5.185 -12.181
  471   3HG1  VAL  59          HG13      VAL  59  10.322  -4.519 -11.417
  472   1HG2  VAL  59          HG21      VAL  59  10.489  -8.327 -13.326
  473   2HG2  VAL  59          HG22      VAL  59   8.959  -7.429 -13.217
  474   3HG2  VAL  59          HG23      VAL  59  10.229  -6.876 -14.322
  475    H    ASN  60           H        ASN  60  12.260  -7.115  -9.791
  476    HA   ASN  60           HA       ASN  60  13.536  -9.680 -10.320
  477   1HB   ASN  60          HB2       ASN  60  15.166  -7.487  -9.806
  478   2HB   ASN  60          HB3       ASN  60  14.937  -8.176  -8.198
  479   1HD2  ASN  60          HD22      ASN  60  15.603  -9.137 -11.617
  480   2HD2  ASN  60          HD21      ASN  60  16.730 -10.418 -11.214
  481    H    GLU  61           H        GLU  61  13.892 -10.904  -8.260
  482    HA   GLU  61           HA       GLU  61  11.414 -11.137  -6.861
  483   1HB   GLU  61          HB2       GLU  61  12.893 -13.018  -7.299
  484   2HB   GLU  61          HB3       GLU  61  14.204 -12.274  -6.393
  485   1HG   GLU  61          HG2       GLU  61  12.755 -12.409  -4.317
  486   2HG   GLU  61          HG3       GLU  61  11.515 -13.210  -5.280
  487    H    GLY  62           H        GLY  62  10.679  -9.629  -5.477
  488   1HA   GLY  62          HA2       GLY  62  10.627  -8.578  -3.414
  489   2HA   GLY  62          HA3       GLY  62  12.390  -8.640  -3.289
  490    H    ASP  63           H        ASP  63  11.567  -7.526  -6.451
  491    HA   ASP  63           HA       ASP  63  12.451  -4.833  -5.773
  492   1HB   ASP  63          HB2       ASP  63  13.075  -6.195  -7.849
  493   2HB   ASP  63          HB3       ASP  63  11.437  -5.908  -8.435
  494    H    VAL  64           H        VAL  64  11.058  -3.118  -5.409
  495    HA   VAL  64           HA       VAL  64   8.348  -3.717  -4.821
  496    HB   VAL  64           HB       VAL  64   9.605  -0.957  -5.102
  497   1HG1  VAL  64          HG11      VAL  64   7.239  -1.981  -3.458
  498   2HG1  VAL  64          HG12      VAL  64   7.922  -0.341  -3.364
  499   3HG1  VAL  64          HG13      VAL  64   7.146  -0.884  -4.848
  500   1HG2  VAL  64          HG21      VAL  64  11.008  -2.271  -3.566
  501   2HG2  VAL  64          HG22      VAL  64  10.034  -1.136  -2.639
  502   3HG2  VAL  64          HG23      VAL  64   9.566  -2.849  -2.702
  503    H    LEU  65           H        LEU  65   6.443  -3.138  -5.812
  504    HA   LEU  65           HA       LEU  65   6.537  -2.415  -8.707
  505   1HB   LEU  65          HB2       LEU  65   5.686  -4.647  -8.352
  506   2HB   LEU  65          HB3       LEU  65   4.632  -4.117  -7.047
  507    HG   LEU  65           HG       LEU  65   3.213  -2.855  -8.599
  508   1HD1  LEU  65          HD11      LEU  65   4.777  -2.177 -10.331
  509   2HD1  LEU  65          HD12      LEU  65   5.133  -3.871 -10.729
  510   3HD1  LEU  65          HD13      LEU  65   3.530  -3.174 -11.072
  511   1HD2  LEU  65          HD21      LEU  65   2.334  -4.838  -9.854
  512   2HD2  LEU  65          HD22      LEU  65   3.773  -5.734  -9.390
  513   3HD2  LEU  65          HD23      LEU  65   2.648  -5.170  -8.140
  514    H    LEU  66           H        LEU  66   4.687  -1.972  -5.583
  515    HA   LEU  66           HA       LEU  66   4.144   0.782  -6.385
  516   1HB   LEU  66          HB2       LEU  66   1.730   0.663  -6.388
  517   2HB   LEU  66          HB3       LEU  66   2.410  -0.342  -7.640
  518    HG   LEU  66           HG       LEU  66   1.970  -2.347  -6.176
  519   1HD1  LEU  66          HD11      LEU  66   1.706  -1.455  -3.938
  520   2HD1  LEU  66          HD12      LEU  66   0.494  -0.282  -4.500
  521   3HD1  LEU  66          HD13      LEU  66   0.127  -2.022  -4.445
  522   1HD2  LEU  66          HD21      LEU  66  -0.395  -0.641  -7.001
  523   2HD2  LEU  66          HD22      LEU  66   0.536  -1.775  -8.014
  524   3HD2  LEU  66          HD23      LEU  66  -0.437  -2.391  -6.681
  525    H    GLU  67           H        GLU  67   2.686   1.866  -4.709
  526    HA   GLU  67           HA       GLU  67   3.117   0.765  -2.011
  527   1HB   GLU  67          HB2       GLU  67   4.946   2.345  -2.350
  528   2HB   GLU  67          HB3       GLU  67   3.838   3.557  -2.978
  529   1HG   GLU  67          HG2       GLU  67   4.512   4.137  -0.739
  530   2HG   GLU  67          HG3       GLU  67   2.792   3.810  -0.762
  531    H    LEU  68           H        LEU  68   1.560   1.535  -0.496
  532    HA   LEU  68           HA       LEU  68  -1.024   2.294  -1.791
  533   1HB   LEU  68          HB2       LEU  68  -0.501   0.239   0.397
  534   2HB   LEU  68          HB3       LEU  68  -2.092   0.721  -0.178
  535    HG   LEU  68           HG       LEU  68   0.018  -0.725  -1.823
  536   1HD1  LEU  68          HD11      LEU  68  -1.099  -2.108  -0.096
  537   2HD1  LEU  68          HD12      LEU  68  -2.680  -1.677  -0.781
  538   3HD1  LEU  68          HD13      LEU  68  -1.521  -2.615  -1.743
  539   1HD2  LEU  68          HD21      LEU  68  -1.256   0.711  -3.282
  540   2HD2  LEU  68          HD22      LEU  68  -1.801  -0.927  -3.518
  541   3HD2  LEU  68          HD23      LEU  68  -2.803   0.184  -2.566
  542    H    SER  69           H        SER  69  -2.684   2.981  -0.268
  543    HA   SER  69           HA       SER  69  -1.991   5.228   1.236
  544   1HB   SER  69          HB2       SER  69  -4.391   4.815   2.134
  545   2HB   SER  69          HB3       SER  69  -4.153   5.113   0.406
  546    HG   SER  69           HG       SER  69  -5.518   3.218   1.263
  547    H    ASN  70           H        ASN  70  -1.979   5.649   3.468
  548    HA   ASN  70           HA       ASN  70  -0.961   3.490   5.191
  549   1HB   ASN  70          HB2       ASN  70  -0.121   5.877   5.347
  550   2HB   ASN  70          HB3       ASN  70  -1.724   6.354   5.924
  551   1HD2  ASN  70          HD22      ASN  70  -1.803   6.475   8.199
  552   2HD2  ASN  70          HD21      ASN  70  -0.836   5.472   9.259
  553    H    SER  71           H        SER  71  -2.107   2.747   7.104
  554    HA   SER  71           HA       SER  71  -4.726   2.046   6.693
  555   1HB   SER  71          HB2       SER  71  -3.383   2.266   9.409
  556   2HB   SER  71          HB3       SER  71  -4.597   1.083   8.887
  557    HG   SER  71           HG       SER  71  -2.472   0.219   8.860
  558    H    THR  72           H        THR  72  -3.672   5.124   8.021
  559    HA   THR  72           HA       THR  72  -6.009   5.762   9.556
  560    HB   THR  72           HB       THR  72  -5.015   8.128   9.181
  561    HG1  THR  72           HG1      THR  72  -3.731   8.025   7.471
  562   1HG2  THR  72          HG21      THR  72  -3.230   5.942  10.352
  563   2HG2  THR  72          HG22      THR  72  -3.083   7.688  10.653
  564   3HG2  THR  72          HG23      THR  72  -4.523   6.814  11.199
  565    H    GLN  73           H        GLN  73  -5.295   5.814   6.094
  566    HA   GLN  73           HA       GLN  73  -7.171   7.909   5.411
  567   1HB   GLN  73          HB2       GLN  73  -5.762   5.795   3.724
  568   2HB   GLN  73          HB3       GLN  73  -6.734   7.121   3.080
  569   1HG   GLN  73          HG2       GLN  73  -5.206   8.781   4.085
  570   2HG   GLN  73          HG3       GLN  73  -4.233   7.491   4.801
  571   1HE2  GLN  73          HE22      GLN  73  -5.445   8.570   1.549
  572   2HE2  GLN  73          HE21      GLN  73  -3.986   8.120   0.704
  Start of MODEL    2
    1   1H    THR   2          H1        THR   2   2.514  -1.275   1.201
    2   2H    THR   2          H2        THR   2   1.470  -2.288   0.421
    3   3H    THR   2          H3        THR   2   2.646  -2.901   1.385
    4    HA   THR   2           HA       THR   2   3.094  -1.451  -1.126
    5    HB   THR   2           HB       THR   2   5.090  -2.731   0.788
    6    HG1  THR   2           HG1      THR   2   5.610  -0.608   1.202
    7   1HG2  THR   2          HG21      THR   2   5.566  -1.084  -1.737
    8   2HG2  THR   2          HG22      THR   2   6.809  -1.618  -0.591
    9   3HG2  THR   2          HG23      THR   2   5.938  -2.820  -1.549
   10    H    VAL   3           H        VAL   3   3.736  -2.818  -2.941
   11    HA   VAL   3           HA       VAL   3   3.262  -5.727  -2.605
   12    HB   VAL   3           HB       VAL   3   2.037  -4.027  -4.817
   13   1HG1  VAL   3          HG11      VAL   3   2.515  -6.348  -5.499
   14   2HG1  VAL   3          HG12      VAL   3   1.618  -6.958  -4.090
   15   3HG1  VAL   3          HG13      VAL   3   0.787  -6.067  -5.389
   16   1HG2  VAL   3          HG21      VAL   3  -0.191  -4.566  -3.815
   17   2HG2  VAL   3          HG22      VAL   3   0.642  -5.222  -2.383
   18   3HG2  VAL   3          HG23      VAL   3   0.770  -3.504  -2.799
   19    H    SER   4           H        SER   4   4.581  -6.921  -4.065
   20    HA   SER   4           HA       SER   4   6.676  -5.416  -5.549
   21   1HB   SER   4          HB2       SER   4   7.100  -7.579  -3.455
   22   2HB   SER   4          HB3       SER   4   8.364  -6.766  -4.380
   23    HG   SER   4           HG       SER   4   8.042  -5.877  -2.264
   24    H    ILE   5           H        ILE   5   8.093  -6.905  -6.752
   25    HA   ILE   5           HA       ILE   5   6.568  -9.055  -8.107
   26    HB   ILE   5           HB       ILE   5   9.287  -7.818  -8.760
   27   1HG1  ILE   5          HG12      ILE   5   7.770  -7.021 -10.846
   28   2HG1  ILE   5          HG13      ILE   5   6.488  -7.064  -9.653
   29   1HG2  ILE   5          HG21      ILE   5   8.975  -8.908 -10.973
   30   2HG2  ILE   5          HG22      ILE   5   9.045 -10.074  -9.679
   31   3HG2  ILE   5          HG23      ILE   5   7.470  -9.651 -10.394
   32   1HD1  ILE   5          HD11      ILE   5   7.583  -4.827  -9.980
   33   2HD1  ILE   5          HD12      ILE   5   7.692  -5.378  -8.307
   34   3HD1  ILE   5          HD13      ILE   5   9.105  -5.498  -9.376
   35    H    GLN   6           H        GLN   6   7.486 -11.217  -8.093
   36    HA   GLN   6           HA       GLN   6   9.602 -11.765  -6.092
   37   1HB   GLN   6          HB2       GLN   6   8.161 -13.828  -5.443
   38   2HB   GLN   6          HB3       GLN   6   7.924 -12.279  -4.698
   39   1HG   GLN   6          HG2       GLN   6   6.194 -13.182  -7.031
   40   2HG   GLN   6          HG3       GLN   6   5.844 -13.636  -5.369
   41   1HE2  GLN   6          HE22      GLN   6   4.799 -11.450  -7.598
   42   2HE2  GLN   6          HE21      GLN   6   4.613 -10.018  -6.585
   43    H    MET   7           H        MET   7   9.765 -11.539  -8.948
   44    HA   MET   7           HA       MET   7  10.987 -14.112  -9.596
   45   1HB   MET   7          HB2       MET   7   8.989 -12.705 -11.430
   46   2HB   MET   7          HB3       MET   7  10.011 -14.040 -11.896
   47   1HG   MET   7          HG2       MET   7   8.032 -15.066 -11.618
   48   2HG   MET   7          HG3       MET   7   8.838 -15.417 -10.089
   49   1HE   MET   7          HE1       MET   7   6.307 -12.903 -11.853
   50   2HE   MET   7          HE2       MET   7   5.769 -14.591 -11.835
   51   3HE   MET   7          HE3       MET   7   4.868 -13.368 -10.912
   52    H    ALA   8           H        ALA   8  12.395 -13.752 -11.527
   53    HA   ALA   8           HA       ALA   8  13.356 -10.938 -11.794
   54   1HB   ALA   8          HB1       ALA   8  15.401 -11.975 -12.725
   55   2HB   ALA   8          HB2       ALA   8  15.102 -12.514 -11.056
   56   3HB   ALA   8          HB3       ALA   8  14.726 -13.589 -12.426
   57    H    GLY   9           H        GLY   9  12.990  -9.936 -13.754
   58   1HA   GLY   9          HA2       GLY   9  12.864 -11.177 -16.268
   59   2HA   GLY   9          HA3       GLY   9  11.230 -11.263 -15.611
   60    H    ASN  10           H        ASN  10  10.308  -9.835 -17.077
   61    HA   ASN  10           HA       ASN  10  11.039  -6.954 -16.731
   62   1HB   ASN  10          HB2       ASN  10  10.720  -8.511 -19.311
   63   2HB   ASN  10          HB3       ASN  10  10.165  -6.844 -19.222
   64   1HD2  ASN  10          HD22      ASN  10  13.091  -7.752 -17.343
   65   2HD2  ASN  10          HD21      ASN  10  14.192  -6.951 -18.443
   66    H    LEU  11           H        LEU  11   9.264  -5.652 -16.556
   67    HA   LEU  11           HA       LEU  11   6.892  -7.052 -15.659
   68   1HB   LEU  11          HB2       LEU  11   8.116  -5.199 -14.450
   69   2HB   LEU  11          HB3       LEU  11   7.510  -4.082 -15.668
   70    HG   LEU  11           HG       LEU  11   5.145  -4.799 -15.003
   71   1HD1  LEU  11          HD11      LEU  11   4.943  -5.873 -12.721
   72   2HD1  LEU  11          HD12      LEU  11   5.561  -6.977 -13.944
   73   3HD1  LEU  11          HD13      LEU  11   6.673  -6.239 -12.777
   74   1HD2  LEU  11          HD21      LEU  11   5.187  -3.421 -12.980
   75   2HD2  LEU  11          HD22      LEU  11   6.929  -3.700 -12.792
   76   3HD2  LEU  11          HD23      LEU  11   6.301  -2.763 -14.174
   77    H    TRP  12           H        TRP  12   6.407  -7.814 -17.816
   78    HA   TRP  12           HA       TRP  12   5.974  -6.886 -20.182
   79   1HB   TRP  12          HB2       TRP  12   5.239  -9.099 -19.123
   80   2HB   TRP  12          HB3       TRP  12   3.705  -8.332 -18.783
   81    HD1  TRP  12           HD1      TRP  12   5.965  -9.081 -21.780
   82    HE1  TRP  12           HE1      TRP  12   4.571  -9.725 -23.817
   83    HE3  TRP  12           HE3      TRP  12   1.314  -8.359 -19.795
   84    HZ2  TRP  12           HZ2      TRP  12   1.752  -9.943 -24.490
   85    HZ3  TRP  12           HZ3      TRP  12  -0.712  -8.853 -21.131
   86    HH2  TRP  12           HH2      TRP  12  -0.506  -9.639 -23.481
   87    H    LYS  13           H        LYS  13   3.287  -6.351 -17.802
   88    HA   LYS  13           HA       LYS  13   2.695  -3.747 -18.993
   89   1HB   LYS  13          HB2       LYS  13   0.696  -6.054 -18.946
   90   2HB   LYS  13          HB3       LYS  13   0.221  -4.358 -19.084
   91   1HG   LYS  13          HG2       LYS  13   1.619  -4.181 -21.173
   92   2HG   LYS  13          HG3       LYS  13   1.900  -5.930 -21.073
   93   1HD   LYS  13          HD2       LYS  13  -0.606  -6.268 -21.122
   94   2HD   LYS  13          HD3       LYS  13  -0.781  -4.522 -21.406
   95   1HE   LYS  13          HE2       LYS  13   0.662  -4.741 -23.441
   96   2HE   LYS  13          HE3       LYS  13   0.772  -6.484 -23.161
   97   1HZ   LYS  13          HZ1       LYS  13  -0.929  -5.957 -24.785
   98   2HZ   LYS  13          HZ2       LYS  13  -1.637  -6.614 -23.473
   99   3HZ   LYS  13          HZ3       LYS  13  -1.730  -5.002 -23.739
  100    H    VAL  14           H        VAL  14   1.070  -2.609 -17.580
  101    HA   VAL  14           HA       VAL  14   0.906  -3.567 -14.798
  102    HB   VAL  14           HB       VAL  14   1.997  -0.836 -15.637
  103   1HG1  VAL  14          HG11      VAL  14   1.526  -2.035 -12.861
  104   2HG1  VAL  14          HG12      VAL  14   2.427  -0.541 -13.185
  105   3HG1  VAL  14          HG13      VAL  14   0.709  -0.616 -13.567
  106   1HG2  VAL  14          HG21      VAL  14   3.333  -3.232 -14.329
  107   2HG2  VAL  14          HG22      VAL  14   3.747  -2.521 -15.904
  108   3HG2  VAL  14          HG23      VAL  14   4.069  -1.610 -14.431
  109    H    HIS  15           H        HIS  15  -0.972  -2.756 -13.792
  110    HA   HIS  15           HA       HIS  15  -2.948  -1.477 -15.629
  111   1HB   HIS  15          HB2       HIS  15  -3.630  -3.683 -13.687
  112   2HB   HIS  15          HB3       HIS  15  -4.509  -3.162 -15.119
  113    HD1  HIS  15           HD1      HIS  15  -2.416  -3.628 -17.418
  114    HD2  HIS  15           HD2      HIS  15  -2.784  -6.040 -13.996
  115    HE1  HIS  15           HE1      HIS  15  -1.260  -5.847 -17.956
  116    H    VAL  16           H        VAL  16  -1.389  -0.181 -13.434
  117    HA   VAL  16           HA       VAL  16  -3.662   0.768 -11.786
  118    HB   VAL  16           HB       VAL  16  -2.085   0.962  -9.858
  119   1HG1  VAL  16          HG11      VAL  16  -3.797  -0.794  -9.899
  120   2HG1  VAL  16          HG12      VAL  16  -2.662  -1.897 -10.705
  121   3HG1  VAL  16          HG13      VAL  16  -2.333  -1.316  -9.053
  122   1HG2  VAL  16          HG21      VAL  16   0.032   0.573 -11.261
  123   2HG2  VAL  16          HG22      VAL  16  -0.073  -0.186  -9.679
  124   3HG2  VAL  16          HG23      VAL  16  -0.350  -1.157 -11.148
  125    H    LYS  17           H        LYS  17  -3.179   2.853 -10.747
  126    HA   LYS  17           HA       LYS  17  -0.953   4.417 -11.707
  127   1HB   LYS  17          HB2       LYS  17  -2.345   6.319 -12.456
  128   2HB   LYS  17          HB3       LYS  17  -2.533   4.912 -13.498
  129   1HG   LYS  17          HG2       LYS  17  -4.711   4.381 -12.432
  130   2HG   LYS  17          HG3       LYS  17  -4.501   5.724 -11.303
  131   1HD   LYS  17          HD2       LYS  17  -6.024   6.396 -13.030
  132   2HD   LYS  17          HD3       LYS  17  -4.529   7.328 -13.196
  133   1HE   LYS  17          HE2       LYS  17  -3.790   5.814 -15.029
  134   2HE   LYS  17          HE3       LYS  17  -5.259   4.849 -14.830
  135   1HZ   LYS  17          HZ1       LYS  17  -5.467   6.422 -16.647
  136   2HZ   LYS  17          HZ2       LYS  17  -6.547   6.798 -15.488
  137   3HZ   LYS  17          HZ3       LYS  17  -5.190   7.692 -15.668
  138    H    ALA  18           H        ALA  18  -0.789   6.387 -10.275
  139    HA   ALA  18           HA       ALA  18  -1.498   5.897  -7.562
  140   1HB   ALA  18          HB1       ALA  18   0.342   7.414  -8.219
  141   2HB   ALA  18          HB2       ALA  18  -0.833   8.537  -8.944
  142   3HB   ALA  18          HB3       ALA  18  -0.841   8.248  -7.192
  143    H    GLY  19           H        GLY  19  -3.332   6.357  -6.402
  144   1HA   GLY  19          HA2       GLY  19  -5.331   7.403  -5.862
  145   2HA   GLY  19          HA3       GLY  19  -5.421   8.144  -7.465
  146    H    ASP  20           H        ASP  20  -4.703   5.022  -8.281
  147    HA   ASP  20           HA       ASP  20  -7.458   4.216  -8.757
  148   1HB   ASP  20          HB2       ASP  20  -5.467   3.606 -10.215
  149   2HB   ASP  20          HB3       ASP  20  -4.920   2.546  -8.913
  150    H    GLN  21           H        GLN  21  -8.142   1.961  -7.939
  151    HA   GLN  21           HA       GLN  21  -7.282   1.470  -5.125
  152   1HB   GLN  21          HB2       GLN  21  -9.414   2.639  -5.057
  153   2HB   GLN  21          HB3       GLN  21 -10.122   1.546  -6.233
  154   1HG   GLN  21          HG2       GLN  21  -8.989   0.310  -3.719
  155   2HG   GLN  21          HG3       GLN  21 -10.433   1.294  -3.542
  156   1HE2  GLN  21          HE22      GLN  21  -9.541  -1.875  -3.852
  157   2HE2  GLN  21          HE21      GLN  21 -10.985  -2.476  -4.636
  158    H    ILE  22           H        ILE  22  -6.951  -0.650  -4.664
  159    HA   ILE  22           HA       ILE  22  -7.611  -2.680  -6.731
  160    HB   ILE  22           HB       ILE  22  -5.462  -3.710  -6.493
  161   1HG1  ILE  22          HG12      ILE  22  -4.752  -1.535  -4.474
  162   2HG1  ILE  22          HG13      ILE  22  -4.970  -3.257  -4.146
  163   1HG2  ILE  22          HG21      ILE  22  -4.080  -2.086  -7.640
  164   2HG2  ILE  22          HG22      ILE  22  -5.754  -1.862  -8.149
  165   3HG2  ILE  22          HG23      ILE  22  -5.016  -0.737  -6.989
  166   1HD1  ILE  22          HD11      ILE  22  -2.733  -1.932  -5.693
  167   2HD1  ILE  22          HD12      ILE  22  -2.642  -2.953  -4.236
  168   3HD1  ILE  22          HD13      ILE  22  -3.038  -3.676  -5.790
  169    H    GLU  23           H        GLU  23  -7.551  -4.883  -5.813
  170    HA   GLU  23           HA       GLU  23  -8.357  -5.010  -2.970
  171   1HB   GLU  23          HB2       GLU  23 -10.352  -4.841  -4.361
  172   2HB   GLU  23          HB3       GLU  23  -9.806  -6.202  -5.361
  173   1HG   GLU  23          HG2       GLU  23  -9.973  -7.707  -3.403
  174   2HG   GLU  23          HG3       GLU  23 -10.411  -6.344  -2.373
  175    H    LYS  24           H        LYS  24  -7.729  -6.996  -1.977
  176    HA   LYS  24           HA       LYS  24  -5.339  -8.133  -2.803
  177   1HB   LYS  24          HB2       LYS  24  -6.389  -8.284  -0.525
  178   2HB   LYS  24          HB3       LYS  24  -7.492  -9.520  -1.136
  179   1HG   LYS  24          HG2       LYS  24  -5.637 -11.030  -1.627
  180   2HG   LYS  24          HG3       LYS  24  -4.453  -9.766  -1.269
  181   1HD   LYS  24          HD2       LYS  24  -5.225  -9.726   1.102
  182   2HD   LYS  24          HD3       LYS  24  -6.386 -11.022   0.731
  183   1HE   LYS  24          HE2       LYS  24  -4.505 -12.499   0.046
  184   2HE   LYS  24          HE3       LYS  24  -3.355 -11.201   0.397
  185   1HZ   LYS  24          HZ1       LYS  24  -3.505 -12.773   2.221
  186   2HZ   LYS  24          HZ2       LYS  24  -4.028 -11.315   2.721
  187   3HZ   LYS  24          HZ3       LYS  24  -5.102 -12.509   2.403
  188    H    GLY  25           H        GLY  25  -4.696  -9.645  -4.280
  189   1HA   GLY  25          HA2       GLY  25  -4.805 -11.521  -5.602
  190   2HA   GLY  25          HA3       GLY  25  -6.503 -11.755  -5.176
  191    H    GLN  26           H        GLN  26  -6.499  -8.555  -6.136
  192    HA   GLN  26           HA       GLN  26  -7.454  -9.069  -8.814
  193   1HB   GLN  26          HB2       GLN  26  -8.008  -7.037  -7.316
  194   2HB   GLN  26          HB3       GLN  26  -6.367  -6.460  -7.677
  195   1HG   GLN  26          HG2       GLN  26  -7.198  -6.829 -10.212
  196   2HG   GLN  26          HG3       GLN  26  -8.785  -6.708  -9.475
  197   1HE2  GLN  26          HE22      GLN  26  -6.020  -4.992 -10.619
  198   2HE2  GLN  26          HE21      GLN  26  -6.526  -3.382 -10.119
  199    H    GLU  27           H        GLU  27  -6.251  -9.014 -10.713
  200    HA   GLU  27           HA       GLU  27  -3.359  -9.118 -10.705
  201   1HB   GLU  27          HB2       GLU  27  -4.897 -10.217 -12.366
  202   2HB   GLU  27          HB3       GLU  27  -5.371  -8.618 -12.946
  203   1HG   GLU  27          HG2       GLU  27  -2.964  -8.214 -13.592
  204   2HG   GLU  27          HG3       GLU  27  -2.584  -9.854 -13.068
  205    H    VAL  28           H        VAL  28  -1.953  -7.426 -10.919
  206    HA   VAL  28           HA       VAL  28  -2.982  -4.705 -11.546
  207    HB   VAL  28           HB       VAL  28  -1.449  -3.822  -9.761
  208   1HG1  VAL  28          HG11      VAL  28  -3.903  -3.913  -9.494
  209   2HG1  VAL  28          HG12      VAL  28  -3.776  -5.542  -8.792
  210   3HG1  VAL  28          HG13      VAL  28  -3.057  -4.156  -7.961
  211   1HG2  VAL  28          HG21      VAL  28  -0.093  -5.881  -9.339
  212   2HG2  VAL  28          HG22      VAL  28  -0.854  -5.236  -7.871
  213   3HG2  VAL  28          HG23      VAL  28  -1.551  -6.653  -8.668
  214    H    ALA  29           H        ALA  29  -0.478  -7.147 -11.987
  215    HA   ALA  29           HA       ALA  29   0.395  -5.596 -14.258
  216   1HB   ALA  29          HB1       ALA  29   2.428  -6.195 -12.044
  217   2HB   ALA  29          HB2       ALA  29   2.811  -5.617 -13.674
  218   3HB   ALA  29          HB3       ALA  29   1.889  -4.592 -12.573
  219    H    ILE  30           H        ILE  30   2.281  -6.946 -15.319
  220    HA   ILE  30           HA       ILE  30   1.946  -9.860 -14.868
  221    HB   ILE  30           HB       ILE  30   1.602  -8.376 -17.506
  222   1HG1  ILE  30          HG12      ILE  30  -0.172 -10.463 -16.144
  223   2HG1  ILE  30          HG13      ILE  30  -0.430  -8.729 -16.044
  224   1HG2  ILE  30          HG21      ILE  30   1.946 -11.393 -17.109
  225   2HG2  ILE  30          HG22      ILE  30   1.578 -10.586 -18.647
  226   3HG2  ILE  30          HG23      ILE  30   3.130 -10.329 -17.894
  227   1HD1  ILE  30          HD11      ILE  30  -1.935  -9.604 -17.674
  228   2HD1  ILE  30          HD12      ILE  30  -0.730  -8.605 -18.503
  229   3HD1  ILE  30          HD13      ILE  30  -0.632 -10.385 -18.576
  230    H    LEU  31           H        LEU  31   3.810 -10.960 -15.234
  231    HA   LEU  31           HA       LEU  31   6.335  -9.436 -15.696
  232   1HB   LEU  31          HB2       LEU  31   6.106 -10.151 -13.435
  233   2HB   LEU  31          HB3       LEU  31   5.543 -11.757 -13.882
  234    HG   LEU  31           HG       LEU  31   7.800 -11.581 -12.872
  235   1HD1  LEU  31          HD11      LEU  31   7.145 -13.569 -14.126
  236   2HD1  LEU  31          HD12      LEU  31   7.874 -12.897 -15.593
  237   3HD1  LEU  31          HD13      LEU  31   8.882 -13.248 -14.178
  238   1HD2  LEU  31          HD21      LEU  31   9.685 -10.766 -14.004
  239   2HD2  LEU  31          HD22      LEU  31   8.797 -10.550 -15.532
  240   3HD2  LEU  31          HD23      LEU  31   8.455  -9.499 -14.146
  241    H    GLU  32           H        GLU  32   7.522 -10.167 -17.406
  242    HA   GLU  32           HA       GLU  32   6.766 -12.703 -18.770
  243   1HB   GLU  32          HB2       GLU  32   6.554 -10.729 -20.197
  244   2HB   GLU  32          HB3       GLU  32   8.191 -10.205 -19.782
  245   1HG   GLU  32          HG2       GLU  32   9.077 -12.319 -20.834
  246   2HG   GLU  32          HG3       GLU  32   7.427 -12.752 -21.281
  247    H    SER  33           H        SER  33   8.209 -14.315 -18.502
  248    HA   SER  33           HA       SER  33  11.021 -14.013 -18.485
  249   1HB   SER  33          HB2       SER  33  10.424 -13.240 -16.080
  250   2HB   SER  33          HB3       SER  33   9.912 -14.905 -15.784
  251    HG   SER  33           HG       SER  33  12.174 -14.128 -15.336
  252    H    MET  34           H        MET  34  11.989 -16.289 -18.049
  253    HA   MET  34           HA       MET  34  12.056 -18.494 -18.622
  254   1HB   MET  34          HB2       MET  34   9.400 -18.557 -17.135
  255   2HB   MET  34          HB3       MET  34  10.468 -19.929 -17.401
  256   1HG   MET  34          HG2       MET  34  12.161 -19.048 -15.982
  257   2HG   MET  34          HG3       MET  34  11.400 -17.464 -15.880
  258   1HE   MET  34          HE1       MET  34   9.606 -16.723 -14.237
  259   2HE   MET  34          HE2       MET  34   8.467 -17.690 -15.201
  260   3HE   MET  34          HE3       MET  34   8.482 -17.836 -13.433
  261    H    LYS  35           H        LYS  35  10.958 -16.799 -20.669
  262    HA   LYS  35           HA       LYS  35   9.750 -16.694 -22.560
  263   1HB   LYS  35          HB2       LYS  35  10.082 -19.718 -22.573
  264   2HB   LYS  35          HB3       LYS  35   9.651 -18.710 -23.957
  265   1HG   LYS  35          HG2       LYS  35  11.812 -17.500 -23.760
  266   2HG   LYS  35          HG3       LYS  35  12.282 -18.571 -22.424
  267   1HD   LYS  35          HD2       LYS  35  12.044 -20.538 -23.920
  268   2HD   LYS  35          HD3       LYS  35  11.640 -19.476 -25.272
  269   1HE   LYS  35          HE2       LYS  35  14.256 -19.407 -23.692
  270   2HE   LYS  35          HE3       LYS  35  14.029 -20.259 -25.221
  271   1HZ   LYS  35          HZ1       LYS  35  15.023 -18.110 -25.583
  272   2HZ   LYS  35          HZ2       LYS  35  13.550 -18.127 -26.275
  273   3HZ   LYS  35          HZ3       LYS  35  13.789 -17.328 -24.866
  274    H    MET  36           H        MET  36   8.176 -16.686 -20.161
  275    HA   MET  36           HA       MET  36   5.534 -17.462 -21.227
  276   1HB   MET  36          HB2       MET  36   6.752 -18.185 -18.518
  277   2HB   MET  36          HB3       MET  36   5.017 -18.145 -18.777
  278   1HG   MET  36          HG2       MET  36   6.962 -19.911 -20.297
  279   2HG   MET  36          HG3       MET  36   5.965 -20.418 -18.945
  280   1HE   MET  36          HE1       MET  36   3.067 -19.168 -19.469
  281   2HE   MET  36          HE2       MET  36   2.354 -20.509 -20.385
  282   3HE   MET  36          HE3       MET  36   3.410 -20.848 -18.998
  283    H    GLU  37           H        GLU  37   3.844 -16.396 -19.710
  284    HA   GLU  37           HA       GLU  37   4.823 -13.870 -18.527
  285   1HB   GLU  37          HB2       GLU  37   2.229 -14.154 -20.099
  286   2HB   GLU  37          HB3       GLU  37   2.779 -12.751 -19.197
  287   1HG   GLU  37          HG2       GLU  37   3.305 -12.137 -21.348
  288   2HG   GLU  37          HG3       GLU  37   4.847 -12.731 -20.751
  289    H    ILE  38           H        ILE  38   3.898 -13.458 -16.535
  290    HA   ILE  38           HA       ILE  38   2.056 -15.474 -15.373
  291    HB   ILE  38           HB       ILE  38   4.688 -14.517 -14.139
  292   1HG1  ILE  38          HG12      ILE  38   5.116 -17.179 -14.352
  293   2HG1  ILE  38          HG13      ILE  38   4.097 -16.998 -15.765
  294   1HG2  ILE  38          HG21      ILE  38   2.947 -15.087 -12.484
  295   2HG2  ILE  38          HG22      ILE  38   2.724 -16.678 -13.254
  296   3HG2  ILE  38          HG23      ILE  38   4.250 -16.271 -12.452
  297   1HD1  ILE  38          HD11      ILE  38   6.752 -15.615 -15.166
  298   2HD1  ILE  38          HD12      ILE  38   6.439 -16.849 -16.394
  299   3HD1  ILE  38          HD13      ILE  38   5.771 -15.223 -16.588
  300    HA   PRO  39           HA       PRO  39   0.394 -11.521 -14.082
  301   1HB   PRO  39          HB2       PRO  39  -1.452 -12.265 -12.193
  302   2HB   PRO  39          HB3       PRO  39  -1.663 -12.555 -13.946
  303   1HG   PRO  39          HG2       PRO  39  -0.627 -14.496 -11.859
  304   2HG   PRO  39          HG3       PRO  39  -1.894 -14.774 -13.098
  305   1HD   PRO  39          HD2       PRO  39   0.678 -15.551 -13.492
  306   2HD   PRO  39          HD3       PRO  39  -0.294 -14.891 -14.838
  307    H    ILE  40           H        ILE  40   0.411 -10.037 -12.363
  308    HA   ILE  40           HA       ILE  40   1.748 -10.774  -9.809
  309    HB   ILE  40           HB       ILE  40   1.980  -8.203 -11.409
  310   1HG1  ILE  40          HG12      ILE  40   3.395  -9.964 -12.411
  311   2HG1  ILE  40          HG13      ILE  40   4.306  -8.610 -11.774
  312   1HG2  ILE  40          HG21      ILE  40   3.132  -8.921  -8.688
  313   2HG2  ILE  40          HG22      ILE  40   3.671  -7.536  -9.660
  314   3HG2  ILE  40          HG23      ILE  40   2.000  -7.616  -9.086
  315   1HD1  ILE  40          HD11      ILE  40   5.379 -10.779 -11.272
  316   2HD1  ILE  40          HD12      ILE  40   4.972  -9.900  -9.797
  317   3HD1  ILE  40          HD13      ILE  40   3.965 -11.270 -10.322
  318    H    VAL  41           H        VAL  41   0.429 -10.318  -8.134
  319    HA   VAL  41           HA       VAL  41  -2.125  -8.914  -8.679
  320    HB   VAL  41           HB       VAL  41  -3.056 -10.549  -6.962
  321   1HG1  VAL  41          HG11      VAL  41  -3.632 -10.787  -9.280
  322   2HG1  VAL  41          HG12      VAL  41  -2.119 -11.661  -9.633
  323   3HG1  VAL  41          HG13      VAL  41  -3.367 -12.375  -8.582
  324   1HG2  VAL  41          HG21      VAL  41  -1.960 -12.670  -6.610
  325   2HG2  VAL  41          HG22      VAL  41  -0.591 -12.209  -7.634
  326   3HG2  VAL  41          HG23      VAL  41  -0.865 -11.387  -6.077
  327    H    ALA  42           H        ALA  42  -3.186  -7.976  -6.838
  328    HA   ALA  42           HA       ALA  42  -1.467  -6.425  -5.152
  329   1HB   ALA  42          HB1       ALA  42  -3.536  -5.646  -4.147
  330   2HB   ALA  42          HB2       ALA  42  -3.792  -5.782  -5.908
  331   3HB   ALA  42          HB3       ALA  42  -4.427  -7.022  -4.817
  332    H    ASP  43           H        ASP  43  -0.403  -7.164  -3.373
  333    HA   ASP  43           HA       ASP  43  -0.946  -9.660  -2.081
  334   1HB   ASP  43          HB2       ASP  43   1.269  -8.617  -2.055
  335   2HB   ASP  43          HB3       ASP  43   0.637  -7.226  -1.172
  336    H    ARG  44           H        ARG  44  -2.258  -6.428  -1.632
  337    HA   ARG  44           HA       ARG  44  -4.375  -7.497  -0.038
  338   1HB   ARG  44          HB2       ARG  44  -4.224  -5.823   1.792
  339   2HB   ARG  44          HB3       ARG  44  -3.021  -7.083   1.890
  340   1HG   ARG  44          HG2       ARG  44  -2.251  -4.487   0.516
  341   2HG   ARG  44          HG3       ARG  44  -2.476  -4.499   2.273
  342   1HD   ARG  44          HD2       ARG  44  -0.902  -6.630   2.174
  343   2HD   ARG  44          HD3       ARG  44  -0.399  -5.934   0.623
  344    HE   ARG  44           HE       ARG  44  -0.368  -3.886   2.593
  345   1HH1  ARG  44          HH21      ARG  44   1.382  -6.941   1.982
  346   2HH1  ARG  44          HH22      ARG  44   2.760  -6.459   2.920
  347   1HH2  ARG  44          HH11      ARG  44   1.347  -3.311   3.839
  348   2HH2  ARG  44          HH12      ARG  44   2.750  -4.325   4.017
  349    H    SER  45           H        SER  45  -6.122  -5.840   0.194
  350    HA   SER  45           HA       SER  45  -6.443  -4.195  -2.099
  351   1HB   SER  45          HB2       SER  45  -7.931  -4.026   0.553
  352   2HB   SER  45          HB3       SER  45  -8.553  -3.653  -1.059
  353    HG   SER  45           HG       SER  45  -9.162  -5.753  -0.151
  354    H    GLY  46           H        GLY  46  -6.708  -1.816  -2.126
  355   1HA   GLY  46          HA2       GLY  46  -6.446  -0.068  -0.034
  356   2HA   GLY  46          HA3       GLY  46  -4.767  -0.361  -0.503
  357    H    ILE  47           H        ILE  47  -5.284   2.122  -0.780
  358    HA   ILE  47           HA       ILE  47  -6.120   2.713  -3.577
  359    HB   ILE  47           HB       ILE  47  -5.265   4.539  -1.284
  360   1HG1  ILE  47          HG12      ILE  47  -7.460   3.657  -0.778
  361   2HG1  ILE  47          HG13      ILE  47  -7.586   5.345  -1.233
  362   1HG2  ILE  47          HG21      ILE  47  -6.213   5.237  -4.092
  363   2HG2  ILE  47          HG22      ILE  47  -6.074   6.398  -2.755
  364   3HG2  ILE  47          HG23      ILE  47  -4.635   5.584  -3.364
  365   1HD1  ILE  47          HD11      ILE  47  -8.354   4.644  -3.528
  366   2HD1  ILE  47          HD12      ILE  47  -8.291   2.951  -2.979
  367   3HD1  ILE  47          HD13      ILE  47  -9.418   4.086  -2.222
  368    H    VAL  48           H        VAL  48  -4.528   3.075  -5.075
  369    HA   VAL  48           HA       VAL  48  -1.770   2.339  -4.516
  370    HB   VAL  48           HB       VAL  48  -3.005   3.589  -6.966
  371   1HG1  VAL  48          HG11      VAL  48  -0.506   3.717  -6.888
  372   2HG1  VAL  48          HG12      VAL  48  -0.429   1.967  -6.578
  373   3HG1  VAL  48          HG13      VAL  48  -1.064   2.580  -8.121
  374   1HG2  VAL  48          HG21      VAL  48  -3.056   1.259  -7.846
  375   2HG2  VAL  48          HG22      VAL  48  -2.586   0.649  -6.241
  376   3HG2  VAL  48          HG23      VAL  48  -4.145   1.466  -6.484
  377    H    LYS  49           H        LYS  49  -0.606   3.653  -3.243
  378    HA   LYS  49           HA       LYS  49  -0.978   6.555  -3.152
  379   1HB   LYS  49          HB2       LYS  49  -0.223   5.406  -1.147
  380   2HB   LYS  49          HB3       LYS  49   1.139   4.676  -2.011
  381   1HG   LYS  49          HG2       LYS  49   2.148   6.891  -2.353
  382   2HG   LYS  49          HG3       LYS  49   0.789   7.659  -1.505
  383   1HD   LYS  49          HD2       LYS  49   1.352   6.491   0.561
  384   2HD   LYS  49          HD3       LYS  49   2.591   5.536  -0.245
  385   1HE   LYS  49          HE2       LYS  49   2.663   8.559   0.151
  386   2HE   LYS  49          HE3       LYS  49   3.541   7.365   1.109
  387   1HZ   LYS  49          HZ1       LYS  49   3.988   7.980  -1.745
  388   2HZ   LYS  49          HZ2       LYS  49   5.019   8.216  -0.507
  389   3HZ   LYS  49          HZ3       LYS  49   4.677   6.690  -1.005
  390    H    GLU  50           H        GLU  50   1.407   4.177  -4.562
  391    HA   GLU  50           HA       GLU  50   1.838   6.010  -6.788
  392   1HB   GLU  50          HB2       GLU  50   3.291   6.972  -4.961
  393   2HB   GLU  50          HB3       GLU  50   4.166   5.445  -4.885
  394   1HG   GLU  50          HG2       GLU  50   5.020   5.750  -7.122
  395   2HG   GLU  50          HG3       GLU  50   3.898   7.079  -7.444
  396    H    VAL  51           H        VAL  51   2.979   4.946  -8.536
  397    HA   VAL  51           HA       VAL  51   3.272   1.997  -8.219
  398    HB   VAL  51           HB       VAL  51   3.094   3.599 -10.807
  399   1HG1  VAL  51          HG11      VAL  51   2.501   1.413 -11.788
  400   2HG1  VAL  51          HG12      VAL  51   4.079   1.322 -11.008
  401   3HG1  VAL  51          HG13      VAL  51   2.655   0.630 -10.202
  402   1HG2  VAL  51          HG21      VAL  51   0.951   3.932  -9.631
  403   2HG2  VAL  51          HG22      VAL  51   0.745   2.827 -10.986
  404   3HG2  VAL  51          HG23      VAL  51   0.839   2.182  -9.331
  405    H    LYS  52           H        LYS  52   5.322   1.109  -8.584
  406    HA   LYS  52           HA       LYS  52   7.530   3.128  -8.599
  407   1HB   LYS  52          HB2       LYS  52   7.405   0.350  -7.372
  408   2HB   LYS  52          HB3       LYS  52   8.738   1.493  -7.210
  409   1HG   LYS  52          HG2       LYS  52   5.926   1.873  -6.092
  410   2HG   LYS  52          HG3       LYS  52   7.346   1.349  -5.199
  411   1HD   LYS  52          HD2       LYS  52   8.449   3.521  -5.586
  412   2HD   LYS  52          HD3       LYS  52   7.007   4.098  -6.467
  413   1HE   LYS  52          HE2       LYS  52   5.598   3.732  -4.508
  414   2HE   LYS  52          HE3       LYS  52   6.931   2.978  -3.628
  415   1HZ   LYS  52          HZ1       LYS  52   6.498   5.252  -2.946
  416   2HZ   LYS  52          HZ2       LYS  52   8.031   5.101  -3.528
  417   3HZ   LYS  52          HZ3       LYS  52   6.873   5.828  -4.442
  418    H    LYS  53           H        LYS  53   6.187   1.368 -10.903
  419    HA   LYS  53           HA       LYS  53   8.679   0.849 -12.330
  420   1HB   LYS  53          HB2       LYS  53   6.567  -1.317 -11.848
  421   2HB   LYS  53          HB3       LYS  53   7.879  -1.441 -13.024
  422   1HG   LYS  53          HG2       LYS  53   8.260  -1.263 -10.030
  423   2HG   LYS  53          HG3       LYS  53   8.302  -2.740 -10.976
  424   1HD   LYS  53          HD2       LYS  53  10.243  -2.027 -12.232
  425   2HD   LYS  53          HD3       LYS  53  10.209  -0.416 -11.523
  426   1HE   LYS  53          HE2       LYS  53  10.727  -2.989  -9.989
  427   2HE   LYS  53          HE3       LYS  53  11.946  -1.830 -10.523
  428   1HZ   LYS  53          HZ1       LYS  53   9.810  -1.377  -8.548
  429   2HZ   LYS  53          HZ2       LYS  53  11.413  -1.456  -8.268
  430   3HZ   LYS  53          HZ3       LYS  53  10.771  -0.161  -9.117
  431    H    LYS  54           H        LYS  54   7.804  -0.142 -14.627
  432    HA   LYS  54           HA       LYS  54   5.263   1.032 -15.431
  433   1HB   LYS  54          HB2       LYS  54   6.183   2.239 -17.333
  434   2HB   LYS  54          HB3       LYS  54   6.796   2.925 -15.834
  435   1HG   LYS  54          HG2       LYS  54   8.957   1.845 -16.130
  436   2HG   LYS  54          HG3       LYS  54   8.391   0.942 -17.534
  437   1HD   LYS  54          HD2       LYS  54   8.571   3.973 -17.393
  438   2HD   LYS  54          HD3       LYS  54   9.820   2.938 -18.072
  439   1HE   LYS  54          HE2       LYS  54   6.952   3.114 -19.114
  440   2HE   LYS  54          HE3       LYS  54   8.327   3.993 -19.776
  441   1HZ   LYS  54          HZ1       LYS  54   8.038   1.033 -19.770
  442   2HZ   LYS  54          HZ2       LYS  54   7.932   2.029 -21.054
  443   3HZ   LYS  54          HZ3       LYS  54   9.362   1.851 -20.301
  444    H    GLU  55           H        GLU  55   4.794   0.327 -17.704
  445    HA   GLU  55           HA       GLU  55   5.107  -2.428 -18.094
  446   1HB   GLU  55          HB2       GLU  55   4.694  -0.351 -20.293
  447   2HB   GLU  55          HB3       GLU  55   4.283  -2.060 -20.333
  448   1HG   GLU  55          HG2       GLU  55   2.213  -1.276 -19.863
  449   2HG   GLU  55          HG3       GLU  55   2.785  -1.401 -18.206
  450    H    GLY  56           H        GLY  56   6.698  -3.665 -18.891
  451   1HA   GLY  56          HA2       GLY  56   8.441  -4.369 -20.187
  452   2HA   GLY  56          HA3       GLY  56   8.579  -2.754 -20.895
  453    H    ASP  57           H        ASP  57   8.715  -2.259 -17.535
  454    HA   ASP  57           HA       ASP  57  11.560  -1.741 -17.684
  455   1HB   ASP  57          HB2       ASP  57   9.901  -0.427 -16.321
  456   2HB   ASP  57          HB3       ASP  57   9.805  -1.792 -15.204
  457    H    PHE  58           H        PHE  58  13.184  -2.698 -16.254
  458    HA   PHE  58           HA       PHE  58  13.059  -5.622 -16.095
  459   1HB   PHE  58          HB2       PHE  58  15.170  -4.477 -16.598
  460   2HB   PHE  58          HB3       PHE  58  15.057  -3.551 -15.108
  461    HD1  PHE  58           HD1      PHE  58  15.620  -6.964 -16.509
  462    HD2  PHE  58           HD2      PHE  58  15.768  -4.476 -12.986
  463    HE1  PHE  58           HE1      PHE  58  16.934  -8.705 -15.333
  464    HE2  PHE  58           HE2      PHE  58  17.088  -6.220 -11.816
  465    HZ   PHE  58           HZ       PHE  58  17.698  -8.324 -12.996
  466    H    VAL  59           H        VAL  59  12.808  -6.845 -14.192
  467    HA   VAL  59           HA       VAL  59  12.408  -5.469 -11.630
  468    HB   VAL  59           HB       VAL  59  10.315  -6.901 -11.276
  469   1HG1  VAL  59          HG11      VAL  59  10.299  -4.465 -11.424
  470   2HG1  VAL  59          HG12      VAL  59  10.084  -4.554 -13.189
  471   3HG1  VAL  59          HG13      VAL  59   8.828  -5.173 -12.104
  472   1HG2  VAL  59          HG21      VAL  59   8.919  -7.417 -13.202
  473   2HG2  VAL  59          HG22      VAL  59  10.166  -6.838 -14.319
  474   3HG2  VAL  59          HG23      VAL  59  10.462  -8.289 -13.332
  475    H    ASN  60           H        ASN  60  12.323  -7.026  -9.819
  476    HA   ASN  60           HA       ASN  60  13.541  -9.608 -10.367
  477   1HB   ASN  60          HB2       ASN  60  15.246  -7.419  -9.968
  478   2HB   ASN  60          HB3       ASN  60  15.109  -8.120  -8.357
  479   1HD2  ASN  60          HD22      ASN  60  15.566  -9.047 -11.819
  480   2HD2  ASN  60          HD21      ASN  60  16.699 -10.344 -11.492
  481    H    GLU  61           H        GLU  61  13.867 -10.853  -8.365
  482    HA   GLU  61           HA       GLU  61  11.470 -10.936  -6.886
  483   1HB   GLU  61          HB2       GLU  61  12.886 -12.851  -7.420
  484   2HB   GLU  61          HB3       GLU  61  14.184 -12.252  -6.400
  485   1HG   GLU  61          HG2       GLU  61  11.396 -12.938  -5.360
  486   2HG   GLU  61          HG3       GLU  61  12.675 -14.131  -5.503
  487    H    GLY  62           H        GLY  62  10.825  -9.435  -5.467
  488   1HA   GLY  62          HA2       GLY  62  10.891  -8.554  -3.289
  489   2HA   GLY  62          HA3       GLY  62  12.659  -8.528  -3.318
  490    H    ASP  63           H        ASP  63  11.813  -7.362  -6.354
  491    HA   ASP  63           HA       ASP  63  12.346  -4.606  -5.566
  492   1HB   ASP  63          HB2       ASP  63  13.078  -5.826  -7.742
  493   2HB   ASP  63          HB3       ASP  63  11.431  -5.548  -8.302
  494    H    VAL  64           H        VAL  64  10.807  -2.897  -5.600
  495    HA   VAL  64           HA       VAL  64   8.156  -3.779  -4.810
  496    HB   VAL  64           HB       VAL  64   9.266  -0.957  -5.112
  497   1HG1  VAL  64          HG11      VAL  64   6.820  -2.057  -3.657
  498   2HG1  VAL  64          HG12      VAL  64   7.440  -0.403  -3.466
  499   3HG1  VAL  64          HG13      VAL  64   6.814  -0.939  -5.027
  500   1HG2  VAL  64          HG21      VAL  64  10.606  -2.224  -3.469
  501   2HG2  VAL  64          HG22      VAL  64   9.567  -1.070  -2.635
  502   3HG2  VAL  64          HG23      VAL  64   9.123  -2.791  -2.672
  503    H    LEU  65           H        LEU  65   6.241  -3.481  -5.866
  504    HA   LEU  65           HA       LEU  65   6.317  -2.853  -8.769
  505   1HB   LEU  65          HB2       LEU  65   5.428  -5.062  -7.997
  506   2HB   LEU  65          HB3       LEU  65   4.221  -4.259  -7.025
  507    HG   LEU  65           HG       LEU  65   3.476  -5.262  -9.156
  508   1HD1  LEU  65          HD11      LEU  65   1.887  -3.597  -9.810
  509   2HD1  LEU  65          HD12      LEU  65   2.069  -3.620  -8.058
  510   3HD1  LEU  65          HD13      LEU  65   2.816  -2.315  -9.028
  511   1HD2  LEU  65          HD21      LEU  65   4.826  -2.888 -10.501
  512   2HD2  LEU  65          HD22      LEU  65   5.365  -4.585 -10.595
  513   3HD2  LEU  65          HD23      LEU  65   3.803  -4.109 -11.269
  514    H    LEU  66           H        LEU  66   4.381  -2.291  -5.762
  515    HA   LEU  66           HA       LEU  66   4.119   0.531  -6.466
  516   1HB   LEU  66          HB2       LEU  66   1.708   0.658  -6.478
  517   2HB   LEU  66          HB3       LEU  66   2.283  -0.378  -7.756
  518    HG   LEU  66           HG       LEU  66   1.703  -2.363  -6.232
  519   1HD1  LEU  66          HD11      LEU  66   0.235  -0.173  -4.731
  520   2HD1  LEU  66          HD12      LEU  66  -0.196  -1.900  -4.636
  521   3HD1  LEU  66          HD13      LEU  66   1.367  -1.370  -4.059
  522   1HD2  LEU  66          HD21      LEU  66   0.378  -1.762  -8.186
  523   2HD2  LEU  66          HD22      LEU  66  -0.661  -2.319  -6.885
  524   3HD2  LEU  66          HD23      LEU  66  -0.541  -0.575  -7.227
  525    H    GLU  67           H        GLU  67   2.838   1.714  -4.796
  526    HA   GLU  67           HA       GLU  67   3.259   0.630  -2.058
  527   1HB   GLU  67          HB2       GLU  67   5.056   2.182  -2.796
  528   2HB   GLU  67          HB3       GLU  67   3.837   3.426  -3.127
  529   1HG   GLU  67          HG2       GLU  67   3.241   3.431  -0.709
  530   2HG   GLU  67          HG3       GLU  67   4.439   2.163  -0.424
  531    H    LEU  68           H        LEU  68   1.612   1.388  -0.573
  532    HA   LEU  68           HA       LEU  68  -0.911   2.252  -1.926
  533   1HB   LEU  68          HB2       LEU  68  -0.431   0.083   0.170
  534   2HB   LEU  68          HB3       LEU  68  -2.028   0.657  -0.290
  535    HG   LEU  68           HG       LEU  68  -0.110  -0.804  -2.123
  536   1HD1  LEU  68          HD11      LEU  68  -1.730  -2.644  -1.974
  537   2HD1  LEU  68          HD12      LEU  68  -1.106  -2.246  -0.366
  538   3HD1  LEU  68          HD13      LEU  68  -2.727  -1.707  -0.847
  539   1HD2  LEU  68          HD21      LEU  68  -2.078  -0.888  -3.665
  540   2HD2  LEU  68          HD22      LEU  68  -2.968   0.187  -2.574
  541   3HD2  LEU  68          HD23      LEU  68  -1.483   0.724  -3.396
  542    H    SER  69           H        SER  69  -2.579   2.941  -0.348
  543    HA   SER  69           HA       SER  69  -1.773   4.917   1.513
  544   1HB   SER  69          HB2       SER  69  -4.174   4.511   2.322
  545   2HB   SER  69          HB3       SER  69  -3.959   4.919   0.606
  546    HG   SER  69           HG       SER  69  -5.358   3.009   1.326
  547    H    ASN  70           H        ASN  70  -2.599   1.471   1.905
  548    HA   ASN  70           HA       ASN  70  -2.204   1.023   4.605
  549   1HB   ASN  70          HB2       ASN  70  -2.973  -0.741   3.170
  550   2HB   ASN  70          HB3       ASN  70  -1.518  -0.671   2.174
  551   1HD2  ASN  70          HD22      ASN  70  -2.598  -1.477   5.540
  552   2HD2  ASN  70          HD21      ASN  70  -1.325  -2.636   5.802
  553    H    SER  71           H        SER  71   0.424   1.627   2.203
  554    HA   SER  71           HA       SER  71   2.543   0.632   3.797
  555   1HB   SER  71          HB2       SER  71   2.611   2.827   1.695
  556   2HB   SER  71          HB3       SER  71   3.969   1.861   2.271
  557    HG   SER  71           HG       SER  71   3.474   0.462   0.868
  558    H    THR  72           H        THR  72   0.624   3.530   4.265
  559    HA   THR  72           HA       THR  72   2.609   5.120   5.574
  560    HB   THR  72           HB       THR  72   0.672   6.245   6.646
  561    HG1  THR  72           HG1      THR  72  -0.959   4.512   5.105
  562   1HG2  THR  72          HG21      THR  72  -0.311   7.151   4.584
  563   2HG2  THR  72          HG22      THR  72   1.444   6.978   4.438
  564   3HG2  THR  72          HG23      THR  72   0.375   5.811   3.639
  565    H    GLN  73           H        GLN  73   0.911   2.242   6.595
  566    HA   GLN  73           HA       GLN  73   0.846   1.041   8.509
  567   1HB   GLN  73          HB2       GLN  73   3.749   1.928   8.431
  568   2HB   GLN  73          HB3       GLN  73   3.147   0.613   9.443
  569   1HG   GLN  73          HG2       GLN  73   2.622  -0.770   7.600
  570   2HG   GLN  73          HG3       GLN  73   2.686   0.553   6.444
  571   1HE2  GLN  73          HE22      GLN  73   4.740   1.462   5.811
  572   2HE2  GLN  73          HE21      GLN  73   6.221   0.539   6.012
  Start of MODEL    3
    1   1H    THR   2          H1        THR   2   2.834  -2.798   1.314
    2   2H    THR   2          H2        THR   2   2.951  -1.163   1.200
    3   3H    THR   2          H3        THR   2   1.744  -1.954   0.422
    4    HA   THR   2           HA       THR   2   3.394  -1.344  -1.172
    5    HB   THR   2           HB       THR   2   5.322  -2.912   0.590
    6    HG1  THR   2           HG1      THR   2   6.055  -0.886   1.185
    7   1HG2  THR   2          HG21      THR   2   6.055  -2.837  -1.779
    8   2HG2  THR   2          HG22      THR   2   5.808  -1.070  -1.799
    9   3HG2  THR   2          HG23      THR   2   7.068  -1.793  -0.776
   10    H    VAL   3           H        VAL   3   3.772  -2.751  -3.018
   11    HA   VAL   3           HA       VAL   3   3.306  -5.644  -2.597
   12    HB   VAL   3           HB       VAL   3   1.928  -4.030  -4.780
   13   1HG1  VAL   3          HG11      VAL   3   1.670  -6.948  -3.972
   14   2HG1  VAL   3          HG12      VAL   3   0.709  -6.120  -5.227
   15   3HG1  VAL   3          HG13      VAL   3   2.436  -6.332  -5.451
   16   1HG2  VAL   3          HG21      VAL   3   0.697  -5.220  -2.257
   17   2HG2  VAL   3          HG22      VAL   3   0.765  -3.504  -2.695
   18   3HG2  VAL   3          HG23      VAL   3  -0.225  -4.600  -3.648
   19    H    SER   4           H        SER   4   4.578  -6.857  -4.040
   20    HA   SER   4           HA       SER   4   6.562  -5.391  -5.705
   21   1HB   SER   4          HB2       SER   4   7.111  -7.478  -3.561
   22   2HB   SER   4          HB3       SER   4   8.325  -6.631  -4.526
   23    HG   SER   4           HG       SER   4   8.026  -5.735  -2.404
   24    H    ILE   5           H        ILE   5   7.829  -6.782  -7.039
   25    HA   ILE   5           HA       ILE   5   6.387  -9.097  -8.149
   26    HB   ILE   5           HB       ILE   5   9.075  -7.864  -8.945
   27   1HG1  ILE   5          HG12      ILE   5   7.567  -7.132 -11.007
   28   2HG1  ILE   5          HG13      ILE   5   6.246  -7.209  -9.856
   29   1HG2  ILE   5          HG21      ILE   5   7.200  -9.767 -10.427
   30   2HG2  ILE   5          HG22      ILE   5   8.696  -9.067 -11.082
   31   3HG2  ILE   5          HG23      ILE   5   8.788 -10.175  -9.736
   32   1HD1  ILE   5          HD11      ILE   5   8.775  -5.514  -9.534
   33   2HD1  ILE   5          HD12      ILE   5   7.235  -4.930 -10.197
   34   3HD1  ILE   5          HD13      ILE   5   7.329  -5.435  -8.512
   35    H    GLN   6           H        GLN   6   7.449 -11.209  -8.122
   36    HA   GLN   6           HA       GLN   6   9.266 -11.646  -5.805
   37   1HB   GLN   6          HB2       GLN   6   7.850 -13.397  -5.020
   38   2HB   GLN   6          HB3       GLN   6   6.916 -11.920  -5.158
   39   1HG   GLN   6          HG2       GLN   6   6.824 -14.269  -7.110
   40   2HG   GLN   6          HG3       GLN   6   5.647 -13.921  -5.853
   41   1HE2  GLN   6          HE22      GLN   6   4.196 -12.042  -6.129
   42   2HE2  GLN   6          HE21      GLN   6   3.995 -11.338  -7.714
   43    H    MET   7           H        MET   7   9.612 -11.685  -8.879
   44    HA   MET   7           HA       MET   7  11.372 -13.964  -8.932
   45   1HB   MET   7          HB2       MET   7  10.419 -14.938 -11.017
   46   2HB   MET   7          HB3       MET   7   9.350 -15.138  -9.628
   47   1HG   MET   7          HG2       MET   7   8.022 -13.178 -10.384
   48   2HG   MET   7          HG3       MET   7   9.012 -13.097 -11.844
   49   1HE   MET   7          HE1       MET   7   5.140 -14.755 -11.978
   50   2HE   MET   7          HE2       MET   7   5.799 -14.034 -10.504
   51   3HE   MET   7          HE3       MET   7   5.954 -13.182 -12.057
   52    H    ALA   8           H        ALA   8  12.817 -13.769 -10.826
   53    HA   ALA   8           HA       ALA   8  13.258 -10.984 -11.605
   54   1HB   ALA   8          HB1       ALA   8  15.252 -11.884 -12.699
   55   2HB   ALA   8          HB2       ALA   8  15.133 -12.475 -11.023
   56   3HB   ALA   8          HB3       ALA   8  14.700 -13.545 -12.383
   57    H    GLY   9           H        GLY   9  12.839 -10.026 -13.571
   58   1HA   GLY   9          HA2       GLY   9  12.589 -11.358 -16.028
   59   2HA   GLY   9          HA3       GLY   9  10.967 -11.281 -15.348
   60    H    ASN  10           H        ASN  10  10.235  -9.870 -16.978
   61    HA   ASN  10           HA       ASN  10  11.053  -7.015 -16.648
   62   1HB   ASN  10          HB2       ASN  10  10.803  -8.612 -19.211
   63   2HB   ASN  10          HB3       ASN  10  10.281  -6.932 -19.178
   64   1HD2  ASN  10          HD21      ASN  10  13.107  -7.920 -17.173
   65   2HD2  ASN  10          HD22      ASN  10  14.273  -7.146 -18.226
   66    H    LEU  11           H        LEU  11   9.305  -5.674 -16.536
   67    HA   LEU  11           HA       LEU  11   6.879  -6.992 -15.691
   68   1HB   LEU  11          HB2       LEU  11   8.133  -5.135 -14.523
   69   2HB   LEU  11          HB3       LEU  11   7.564  -4.037 -15.771
   70    HG   LEU  11           HG       LEU  11   5.184  -4.628 -15.110
   71   1HD1  LEU  11          HD11      LEU  11   5.430  -6.818 -14.064
   72   2HD1  LEU  11          HD12      LEU  11   6.605  -6.181 -12.897
   73   3HD1  LEU  11          HD13      LEU  11   4.909  -5.686 -12.820
   74   1HD2  LEU  11          HD21      LEU  11   7.016  -3.621 -12.890
   75   2HD2  LEU  11          HD22      LEU  11   6.405  -2.657 -14.262
   76   3HD2  LEU  11          HD23      LEU  11   5.285  -3.283 -13.056
   77    H    TRP  12           H        TRP  12   6.389  -7.794 -17.851
   78    HA   TRP  12           HA       TRP  12   5.987  -6.841 -20.225
   79   1HB   TRP  12          HB2       TRP  12   5.241  -9.065 -19.193
   80   2HB   TRP  12          HB3       TRP  12   3.702  -8.298 -18.868
   81    HD1  TRP  12           HD1      TRP  12   6.012  -9.042 -21.818
   82    HE1  TRP  12           HE1      TRP  12   4.660  -9.648 -23.896
   83    HE3  TRP  12           HE3      TRP  12   1.325  -8.253 -19.950
   84    HZ2  TRP  12           HZ2      TRP  12   1.858  -9.805 -24.646
   85    HZ3  TRP  12           HZ3      TRP  12  -0.675  -8.691 -21.346
   86    HH2  TRP  12           HH2      TRP  12  -0.421  -9.457 -23.696
   87    H    LYS  13           H        LYS  13   3.294  -6.312 -17.853
   88    HA   LYS  13           HA       LYS  13   2.737  -3.685 -19.010
   89   1HB   LYS  13          HB2       LYS  13   0.698  -5.958 -19.005
   90   2HB   LYS  13          HB3       LYS  13   0.253  -4.250 -19.125
   91   1HG   LYS  13          HG2       LYS  13   1.647  -4.066 -21.203
   92   2HG   LYS  13          HG3       LYS  13   1.919  -5.818 -21.127
   93   1HD   LYS  13          HD2       LYS  13  -0.592  -6.133 -21.147
   94   2HD   LYS  13          HD3       LYS  13  -0.764  -4.405 -21.461
   95   1HE   LYS  13          HE2       LYS  13   0.776  -6.391 -23.204
   96   2HE   LYS  13          HE3       LYS  13  -0.876  -5.853 -23.509
   97   1HZ   LYS  13          HZ1       LYS  13  -0.031  -3.592 -23.775
   98   2HZ   LYS  13          HZ2       LYS  13   1.509  -4.095 -23.530
   99   3HZ   LYS  13          HZ3       LYS  13   0.678  -4.603 -24.833
  100    H    VAL  14           H        VAL  14   1.107  -2.543 -17.588
  101    HA   VAL  14           HA       VAL  14   0.923  -3.550 -14.818
  102    HB   VAL  14           HB       VAL  14   2.038  -0.820 -15.626
  103   1HG1  VAL  14          HG11      VAL  14   1.495  -2.001 -12.857
  104   2HG1  VAL  14          HG12      VAL  14   2.430  -0.523 -13.163
  105   3HG1  VAL  14          HG13      VAL  14   0.721  -0.567 -13.579
  106   1HG2  VAL  14          HG21      VAL  14   3.764  -2.534 -15.856
  107   2HG2  VAL  14          HG22      VAL  14   4.075  -1.613 -14.390
  108   3HG2  VAL  14          HG23      VAL  14   3.317  -3.226 -14.279
  109    H    HIS  15           H        HIS  15  -0.940  -2.739 -13.785
  110    HA   HIS  15           HA       HIS  15  -2.918  -1.403 -15.574
  111   1HB   HIS  15          HB2       HIS  15  -3.609  -3.648 -13.684
  112   2HB   HIS  15          HB3       HIS  15  -4.491  -3.085 -15.096
  113    HD1  HIS  15           HD1      HIS  15  -2.337  -3.507 -17.390
  114    HD2  HIS  15           HD2      HIS  15  -2.888  -6.038 -14.080
  115    HE1  HIS  15           HE1      HIS  15  -1.250  -5.745 -17.989
  116    H    VAL  16           H        VAL  16  -1.300  -0.259 -13.273
  117    HA   VAL  16           HA       VAL  16  -3.587   0.714 -11.653
  118    HB   VAL  16           HB       VAL  16  -2.081   0.840  -9.690
  119   1HG1  VAL  16          HG11      VAL  16  -3.756  -0.938  -9.835
  120   2HG1  VAL  16          HG12      VAL  16  -2.593  -1.992 -10.667
  121   3HG1  VAL  16          HG13      VAL  16  -2.297  -1.484  -8.985
  122   1HG2  VAL  16          HG21      VAL  16   0.115   0.555 -10.901
  123   2HG2  VAL  16          HG22      VAL  16  -0.099  -0.418  -9.442
  124   3HG2  VAL  16          HG23      VAL  16  -0.263  -1.174 -11.047
  125    H    LYS  17           H        LYS  17  -3.149   2.796 -10.630
  126    HA   LYS  17           HA       LYS  17  -0.953   4.409 -11.608
  127   1HB   LYS  17          HB2       LYS  17  -2.410   6.226 -12.435
  128   2HB   LYS  17          HB3       LYS  17  -2.541   4.774 -13.424
  129   1HG   LYS  17          HG2       LYS  17  -4.703   4.203 -12.340
  130   2HG   LYS  17          HG3       LYS  17  -4.548   5.599 -11.270
  131   1HD   LYS  17          HD2       LYS  17  -6.088   6.140 -13.026
  132   2HD   LYS  17          HD3       LYS  17  -4.627   7.118 -13.232
  133   1HE   LYS  17          HE2       LYS  17  -3.829   5.554 -14.997
  134   2HE   LYS  17          HE3       LYS  17  -5.262   4.544 -14.756
  135   1HZ   LYS  17          HZ1       LYS  17  -6.619   6.414 -15.499
  136   2HZ   LYS  17          HZ2       LYS  17  -5.296   7.348 -15.719
  137   3HZ   LYS  17          HZ3       LYS  17  -5.525   6.025 -16.640
  138    H    ALA  18           H        ALA  18  -0.906   6.464 -10.270
  139    HA   ALA  18           HA       ALA  18  -1.544   6.021  -7.535
  140   1HB   ALA  18          HB1       ALA  18   0.188   7.619  -8.266
  141   2HB   ALA  18          HB2       ALA  18  -1.063   8.652  -9.003
  142   3HB   ALA  18          HB3       ALA  18  -1.024   8.413  -7.243
  143    H    GLY  19           H        GLY  19  -3.340   6.415  -6.343
  144   1HA   GLY  19          HA2       GLY  19  -5.382   7.314  -5.748
  145   2HA   GLY  19          HA3       GLY  19  -5.568   8.045  -7.346
  146    H    ASP  20           H        ASP  20  -4.729   4.918  -8.133
  147    HA   ASP  20           HA       ASP  20  -7.461   4.081  -8.633
  148   1HB   ASP  20          HB2       ASP  20  -5.438   3.505 -10.058
  149   2HB   ASP  20          HB3       ASP  20  -4.914   2.425  -8.761
  150    H    GLN  21           H        GLN  21  -8.178   1.850  -7.855
  151    HA   GLN  21           HA       GLN  21  -7.491   1.355  -4.977
  152   1HB   GLN  21          HB2       GLN  21  -9.797   2.209  -5.209
  153   2HB   GLN  21          HB3       GLN  21 -10.111   1.069  -6.508
  154   1HG   GLN  21          HG2       GLN  21 -11.217   0.206  -4.630
  155   2HG   GLN  21          HG3       GLN  21  -9.834  -0.835  -4.864
  156   1HE2  GLN  21          HE22      GLN  21  -8.737  -1.340  -2.923
  157   2HE2  GLN  21          HE21      GLN  21  -8.852  -0.357  -1.481
  158    H    ILE  22           H        ILE  22  -6.829  -0.736  -4.563
  159    HA   ILE  22           HA       ILE  22  -7.401  -2.828  -6.589
  160    HB   ILE  22           HB       ILE  22  -5.255  -3.812  -6.392
  161   1HG1  ILE  22          HG12      ILE  22  -4.521  -1.671  -4.354
  162   2HG1  ILE  22          HG13      ILE  22  -4.709  -3.405  -4.066
  163   1HG2  ILE  22          HG21      ILE  22  -5.564  -1.951  -8.027
  164   2HG2  ILE  22          HG22      ILE  22  -4.798  -0.841  -6.869
  165   3HG2  ILE  22          HG23      ILE  22  -3.889  -2.199  -7.545
  166   1HD1  ILE  22          HD11      ILE  22  -2.518  -2.035  -5.655
  167   2HD1  ILE  22          HD12      ILE  22  -2.380  -3.008  -4.173
  168   3HD1  ILE  22          HD13      ILE  22  -2.792  -3.789  -5.700
  169    H    GLU  23           H        GLU  23  -7.227  -5.044  -5.581
  170    HA   GLU  23           HA       GLU  23  -7.996  -5.093  -2.734
  171   1HB   GLU  23          HB2       GLU  23 -10.051  -4.853  -4.046
  172   2HB   GLU  23          HB3       GLU  23  -9.593  -6.241  -5.056
  173   1HG   GLU  23          HG2       GLU  23  -9.713  -7.720  -3.069
  174   2HG   GLU  23          HG3       GLU  23 -10.074  -6.333  -2.041
  175    H    LYS  24           H        LYS  24  -7.219  -6.998  -1.754
  176    HA   LYS  24           HA       LYS  24  -5.037  -8.331  -2.718
  177   1HB   LYS  24          HB2       LYS  24  -5.949  -8.378  -0.392
  178   2HB   LYS  24          HB3       LYS  24  -7.193  -9.518  -0.915
  179   1HG   LYS  24          HG2       LYS  24  -5.422 -11.157  -1.543
  180   2HG   LYS  24          HG3       LYS  24  -4.186  -9.997  -1.052
  181   1HD   LYS  24          HD2       LYS  24  -5.226 -10.033   1.294
  182   2HD   LYS  24          HD3       LYS  24  -6.306 -11.302   0.708
  183   1HE   LYS  24          HE2       LYS  24  -4.628 -12.547   1.722
  184   2HE   LYS  24          HE3       LYS  24  -4.150 -12.580   0.023
  185   1HZ   LYS  24          HZ1       LYS  24  -2.615 -10.685   0.586
  186   2HZ   LYS  24          HZ2       LYS  24  -3.007 -10.877   2.160
  187   3HZ   LYS  24          HZ3       LYS  24  -2.252 -12.082   1.367
  188    H    GLY  25           H        GLY  25  -4.625  -9.721  -4.369
  189   1HA   GLY  25          HA2       GLY  25  -4.892 -11.679  -5.582
  190   2HA   GLY  25          HA3       GLY  25  -6.591 -11.784  -5.114
  191    H    GLN  26           H        GLN  26  -6.494  -8.630  -6.074
  192    HA   GLN  26           HA       GLN  26  -7.523  -9.092  -8.728
  193   1HB   GLN  26          HB2       GLN  26  -7.952  -7.057  -7.179
  194   2HB   GLN  26          HB3       GLN  26  -6.317  -6.520  -7.624
  195   1HG   GLN  26          HG2       GLN  26  -7.271  -6.829 -10.112
  196   2HG   GLN  26          HG3       GLN  26  -8.828  -6.727  -9.309
  197   1HE2  GLN  26          HE22      GLN  26  -6.039  -4.994 -10.445
  198   2HE2  GLN  26          HE21      GLN  26  -6.551  -3.391  -9.930
  199    H    GLU  27           H        GLU  27  -6.396  -8.975 -10.695
  200    HA   GLU  27           HA       GLU  27  -3.502  -9.179 -10.782
  201   1HB   GLU  27          HB2       GLU  27  -5.117 -10.177 -12.435
  202   2HB   GLU  27          HB3       GLU  27  -5.558  -8.546 -12.948
  203   1HG   GLU  27          HG2       GLU  27  -3.153  -8.191 -13.640
  204   2HG   GLU  27          HG3       GLU  27  -2.818  -9.863 -13.195
  205    H    VAL  28           H        VAL  28  -2.035  -7.519 -11.078
  206    HA   VAL  28           HA       VAL  28  -3.020  -4.758 -11.563
  207    HB   VAL  28           HB       VAL  28  -1.416  -3.958  -9.794
  208   1HG1  VAL  28          HG11      VAL  28  -3.862  -4.013  -9.433
  209   2HG1  VAL  28          HG12      VAL  28  -3.736  -5.660  -8.779
  210   3HG1  VAL  28          HG13      VAL  28  -2.956  -4.309  -7.943
  211   1HG2  VAL  28          HG21      VAL  28  -0.782  -5.458  -7.979
  212   2HG2  VAL  28          HG22      VAL  28  -1.540  -6.823  -8.814
  213   3HG2  VAL  28          HG23      VAL  28  -0.092  -6.059  -9.500
  214    H    ALA  29           H        ALA  29  -0.540  -7.215 -12.113
  215    HA   ALA  29           HA       ALA  29   0.337  -5.604 -14.348
  216   1HB   ALA  29          HB1       ALA  29   2.758  -5.702 -13.765
  217   2HB   ALA  29          HB2       ALA  29   1.862  -4.690 -12.632
  218   3HB   ALA  29          HB3       ALA  29   2.354  -6.326 -12.157
  219    H    ILE  30           H        ILE  30   2.204  -6.953 -15.449
  220    HA   ILE  30           HA       ILE  30   1.839  -9.869 -15.073
  221    HB   ILE  30           HB       ILE  30   1.530  -8.342 -17.689
  222   1HG1  ILE  30          HG12      ILE  30  -0.298 -10.413 -16.380
  223   2HG1  ILE  30          HG13      ILE  30  -0.522  -8.678 -16.247
  224   1HG2  ILE  30          HG21      ILE  30   3.019 -10.313 -18.095
  225   2HG2  ILE  30          HG22      ILE  30   1.819 -11.368 -17.320
  226   3HG2  ILE  30          HG23      ILE  30   1.465 -10.544 -18.851
  227   1HD1  ILE  30          HD11      ILE  30  -2.028  -9.483 -17.908
  228   2HD1  ILE  30          HD12      ILE  30  -0.792  -8.498 -18.707
  229   3HD1  ILE  30          HD13      ILE  30  -0.736 -10.279 -18.812
  230    H    LEU  31           H        LEU  31   3.696 -10.978 -15.520
  231    HA   LEU  31           HA       LEU  31   6.228  -9.428 -15.836
  232   1HB   LEU  31          HB2       LEU  31   5.833 -10.158 -13.583
  233   2HB   LEU  31          HB3       LEU  31   5.391 -11.790 -14.085
  234    HG   LEU  31           HG       LEU  31   7.552 -11.512 -12.917
  235   1HD1  LEU  31          HD11      LEU  31   8.808 -13.090 -14.186
  236   2HD1  LEU  31          HD12      LEU  31   7.088 -13.482 -14.340
  237   3HD1  LEU  31          HD13      LEU  31   7.939 -12.702 -15.677
  238   1HD2  LEU  31          HD21      LEU  31   8.681 -10.368 -15.471
  239   2HD2  LEU  31          HD22      LEU  31   8.141  -9.358 -14.116
  240   3HD2  LEU  31          HD23      LEU  31   9.445 -10.532 -13.868
  241    H    GLU  32           H        GLU  32   7.516 -10.165 -17.480
  242    HA   GLU  32           HA       GLU  32   6.823 -12.707 -18.875
  243   1HB   GLU  32          HB2       GLU  32   6.656 -10.711 -20.293
  244   2HB   GLU  32          HB3       GLU  32   8.287 -10.207 -19.829
  245   1HG   GLU  32          HG2       GLU  32   9.180 -12.326 -20.860
  246   2HG   GLU  32          HG3       GLU  32   7.542 -12.737 -21.365
  247    H    SER  33           H        SER  33   8.283 -14.323 -18.561
  248    HA   SER  33           HA       SER  33  11.092 -13.966 -18.383
  249   1HB   SER  33          HB2       SER  33  10.309 -13.220 -16.016
  250   2HB   SER  33          HB3       SER  33   9.846 -14.905 -15.758
  251    HG   SER  33           HG       SER  33  12.013 -14.113 -15.117
  252    H    MET  34           H        MET  34  12.062 -16.231 -17.825
  253    HA   MET  34           HA       MET  34  12.232 -18.365 -18.602
  254   1HB   MET  34          HB2       MET  34  10.902 -19.938 -17.227
  255   2HB   MET  34          HB3       MET  34  11.700 -18.655 -16.331
  256   1HG   MET  34          HG2       MET  34   9.571 -17.425 -16.144
  257   2HG   MET  34          HG3       MET  34   8.738 -18.716 -17.017
  258   1HE   MET  34          HE1       MET  34   7.049 -18.411 -14.809
  259   2HE   MET  34          HE2       MET  34   7.616 -18.654 -13.144
  260   3HE   MET  34          HE3       MET  34   8.201 -17.266 -14.083
  261    H    LYS  35           H        LYS  35  11.074 -16.950 -20.603
  262    HA   LYS  35           HA       LYS  35   9.885 -17.012 -22.503
  263   1HB   LYS  35          HB2       LYS  35  10.193 -20.024 -22.218
  264   2HB   LYS  35          HB3       LYS  35   9.780 -19.154 -23.699
  265   1HG   LYS  35          HG2       LYS  35  11.949 -17.939 -23.599
  266   2HG   LYS  35          HG3       LYS  35  12.394 -18.879 -22.160
  267   1HD   LYS  35          HD2       LYS  35  12.220 -20.984 -23.475
  268   2HD   LYS  35          HD3       LYS  35  11.721 -20.056 -24.890
  269   1HE   LYS  35          HE2       LYS  35  14.033 -20.578 -25.170
  270   2HE   LYS  35          HE3       LYS  35  13.900 -18.844 -24.870
  271   1HZ   LYS  35          HZ1       LYS  35  15.702 -19.857 -23.614
  272   2HZ   LYS  35          HZ2       LYS  35  14.599 -19.260 -22.579
  273   3HZ   LYS  35          HZ3       LYS  35  14.686 -20.873 -22.852
  274    H    MET  36           H        MET  36   8.257 -16.762 -20.141
  275    HA   MET  36           HA       MET  36   5.639 -17.552 -21.253
  276   1HB   MET  36          HB2       MET  36   6.651 -18.113 -18.421
  277   2HB   MET  36          HB3       MET  36   4.950 -18.166 -18.886
  278   1HG   MET  36          HG2       MET  36   5.440 -19.955 -20.519
  279   2HG   MET  36          HG3       MET  36   7.131 -19.947 -20.011
  280   1HE   MET  36          HE1       MET  36   7.127 -22.510 -19.567
  281   2HE   MET  36          HE2       MET  36   5.907 -23.350 -18.585
  282   3HE   MET  36          HE3       MET  36   5.437 -22.583 -20.118
  283    H    GLU  37           H        GLU  37   3.912 -16.388 -19.895
  284    HA   GLU  37           HA       GLU  37   4.861 -13.852 -18.719
  285   1HB   GLU  37          HB2       GLU  37   2.359 -14.121 -20.435
  286   2HB   GLU  37          HB3       GLU  37   2.884 -12.709 -19.531
  287   1HG   GLU  37          HG2       GLU  37   3.535 -12.162 -21.673
  288   2HG   GLU  37          HG3       GLU  37   5.031 -12.749 -20.962
  289    H    ILE  38           H        ILE  38   3.866 -13.450 -16.757
  290    HA   ILE  38           HA       ILE  38   1.914 -15.442 -15.736
  291    HB   ILE  38           HB       ILE  38   4.450 -14.529 -14.287
  292   1HG1  ILE  38          HG12      ILE  38   4.923 -17.169 -14.567
  293   2HG1  ILE  38          HG13      ILE  38   4.013 -16.951 -16.047
  294   1HG2  ILE  38          HG21      ILE  38   2.605 -15.162 -12.791
  295   2HG2  ILE  38          HG22      ILE  38   2.393 -16.702 -13.665
  296   3HG2  ILE  38          HG23      ILE  38   3.861 -16.391 -12.729
  297   1HD1  ILE  38          HD11      ILE  38   6.405 -16.745 -16.476
  298   2HD1  ILE  38          HD12      ILE  38   5.714 -15.133 -16.687
  299   3HD1  ILE  38          HD13      ILE  38   6.583 -15.540 -15.197
  300    HA   PRO  39           HA       PRO  39   0.238 -11.487 -14.401
  301   1HB   PRO  39          HB2       PRO  39  -1.709 -12.289 -12.641
  302   2HB   PRO  39          HB3       PRO  39  -1.850 -12.466 -14.417
  303   1HG   PRO  39          HG2       PRO  39  -0.968 -14.560 -12.409
  304   2HG   PRO  39          HG3       PRO  39  -2.175 -14.725 -13.726
  305   1HD   PRO  39          HD2       PRO  39   0.397 -15.549 -14.028
  306   2HD   PRO  39          HD3       PRO  39  -0.490 -14.795 -15.384
  307    H    ILE  40           H        ILE  40   0.305 -10.094 -12.629
  308    HA   ILE  40           HA       ILE  40   1.580 -11.023 -10.104
  309    HB   ILE  40           HB       ILE  40   1.975  -8.417 -11.613
  310   1HG1  ILE  40          HG12      ILE  40   3.282 -10.206 -12.661
  311   2HG1  ILE  40          HG13      ILE  40   4.275  -8.952 -11.944
  312   1HG2  ILE  40          HG21      ILE  40   3.674  -7.903  -9.818
  313   2HG2  ILE  40          HG22      ILE  40   1.995  -7.902  -9.266
  314   3HG2  ILE  40          HG23      ILE  40   3.043  -9.281  -8.898
  315   1HD1  ILE  40          HD11      ILE  40   3.746 -11.686 -10.693
  316   2HD1  ILE  40          HD12      ILE  40   5.227 -11.164 -11.512
  317   3HD1  ILE  40          HD13      ILE  40   4.762 -10.399  -9.997
  318    H    VAL  41           H        VAL  41   0.335 -10.551  -8.393
  319    HA   VAL  41           HA       VAL  41  -2.179  -9.057  -8.863
  320    HB   VAL  41           HB       VAL  41  -3.107 -10.641  -7.103
  321   1HG1  VAL  41          HG11      VAL  41  -3.497 -12.485  -8.684
  322   2HG1  VAL  41          HG12      VAL  41  -3.731 -10.905  -9.414
  323   3HG1  VAL  41          HG13      VAL  41  -2.247 -11.827  -9.770
  324   1HG2  VAL  41          HG21      VAL  41  -0.694 -12.365  -7.800
  325   2HG2  VAL  41          HG22      VAL  41  -0.915 -11.511  -6.251
  326   3HG2  VAL  41          HG23      VAL  41  -2.049 -12.779  -6.738
  327    H    ALA  42           H        ALA  42  -3.158  -8.067  -7.041
  328    HA   ALA  42           HA       ALA  42  -1.452  -6.509  -5.375
  329   1HB   ALA  42          HB1       ALA  42  -4.401  -7.201  -5.154
  330   2HB   ALA  42          HB2       ALA  42  -3.597  -5.857  -4.323
  331   3HB   ALA  42          HB3       ALA  42  -3.744  -5.857  -6.098
  332    H    ASP  43           H        ASP  43  -0.253  -7.390  -3.737
  333    HA   ASP  43           HA       ASP  43  -0.836  -9.843  -2.377
  334   1HB   ASP  43          HB2       ASP  43   1.420  -8.959  -2.449
  335   2HB   ASP  43          HB3       ASP  43   0.912  -7.457  -1.675
  336    H    ARG  44           H        ARG  44  -2.029  -6.568  -1.934
  337    HA   ARG  44           HA       ARG  44  -3.854  -7.406   0.156
  338   1HB   ARG  44          HB2       ARG  44  -3.130  -5.744   1.791
  339   2HB   ARG  44          HB3       ARG  44  -1.840  -6.904   1.479
  340   1HG   ARG  44          HG2       ARG  44  -0.953  -5.087  -0.244
  341   2HG   ARG  44          HG3       ARG  44  -2.053  -4.008   0.617
  342   1HD   ARG  44          HD2       ARG  44   0.121  -3.746   1.547
  343   2HD   ARG  44          HD3       ARG  44  -0.851  -4.618   2.751
  344    HE   ARG  44           HE       ARG  44   0.444  -6.583   1.220
  345   1HH1  ARG  44          HH21      ARG  44   1.458  -3.980   3.480
  346   2HH1  ARG  44          HH22      ARG  44   2.931  -4.789   3.876
  347   1HH2  ARG  44          HH11      ARG  44   2.239  -7.583   1.771
  348   2HH2  ARG  44          HH12      ARG  44   3.422  -6.927   2.888
  349    H    SER  45           H        SER  45  -5.524  -5.739   0.472
  350    HA   SER  45           HA       SER  45  -6.100  -4.246  -1.920
  351   1HB   SER  45          HB2       SER  45  -7.472  -4.134   0.800
  352   2HB   SER  45          HB3       SER  45  -8.187  -3.782  -0.781
  353    HG   SER  45           HG       SER  45  -8.642  -5.918   0.136
  354    H    GLY  46           H        GLY  46  -6.440  -1.904  -2.049
  355   1HA   GLY  46          HA2       GLY  46  -6.378  -0.088  -0.013
  356   2HA   GLY  46          HA3       GLY  46  -4.662  -0.280  -0.399
  357    H    ILE  47           H        ILE  47  -5.505   2.166  -0.702
  358    HA   ILE  47           HA       ILE  47  -6.142   2.663  -3.547
  359    HB   ILE  47           HB       ILE  47  -5.594   4.474  -1.162
  360   1HG1  ILE  47          HG12      ILE  47  -7.862   3.453  -1.246
  361   2HG1  ILE  47          HG13      ILE  47  -7.862   5.205  -1.329
  362   1HG2  ILE  47          HG21      ILE  47  -4.606   5.641  -3.009
  363   2HG2  ILE  47          HG22      ILE  47  -5.993   5.298  -4.062
  364   3HG2  ILE  47          HG23      ILE  47  -6.161   6.401  -2.676
  365   1HD1  ILE  47          HD11      ILE  47  -8.236   3.360  -3.729
  366   2HD1  ILE  47          HD12      ILE  47  -9.520   4.214  -2.856
  367   3HD1  ILE  47          HD13      ILE  47  -8.313   5.138  -3.756
  368    H    VAL  48           H        VAL  48  -4.535   3.094  -4.991
  369    HA   VAL  48           HA       VAL  48  -1.775   2.450  -4.394
  370    HB   VAL  48           HB       VAL  48  -3.082   3.661  -6.833
  371   1HG1  VAL  48          HG11      VAL  48  -1.079   2.803  -8.022
  372   2HG1  VAL  48          HG12      VAL  48  -0.618   4.008  -6.817
  373   3HG1  VAL  48          HG13      VAL  48  -0.369   2.284  -6.477
  374   1HG2  VAL  48          HG21      VAL  48  -2.394   0.754  -6.187
  375   2HG2  VAL  48          HG22      VAL  48  -4.030   1.432  -6.324
  376   3HG2  VAL  48          HG23      VAL  48  -2.998   1.362  -7.743
  377    H    LYS  49           H        LYS  49  -0.566   3.801  -3.186
  378    HA   LYS  49           HA       LYS  49  -1.056   6.683  -3.093
  379   1HB   LYS  49          HB2       LYS  49  -0.200   5.457  -1.106
  380   2HB   LYS  49          HB3       LYS  49   1.234   4.973  -2.006
  381   1HG   LYS  49          HG2       LYS  49   1.766   6.791  -0.520
  382   2HG   LYS  49          HG3       LYS  49   1.929   7.344  -2.187
  383   1HD   LYS  49          HD2       LYS  49  -0.255   8.504  -2.035
  384   2HD   LYS  49          HD3       LYS  49  -0.491   7.863  -0.392
  385   1HE   LYS  49          HE2       LYS  49   1.556   9.060   0.356
  386   2HE   LYS  49          HE3       LYS  49   1.790   9.691  -1.279
  387   1HZ   LYS  49          HZ1       LYS  49  -0.318  10.874  -1.053
  388   2HZ   LYS  49          HZ2       LYS  49  -0.536  10.289   0.460
  389   3HZ   LYS  49          HZ3       LYS  49   0.698  11.302   0.144
  390    H    GLU  50           H        GLU  50   1.367   4.361  -4.506
  391    HA   GLU  50           HA       GLU  50   1.795   6.195  -6.723
  392   1HB   GLU  50          HB2       GLU  50   3.266   7.157  -4.913
  393   2HB   GLU  50          HB3       GLU  50   4.082   5.605  -4.776
  394   1HG   GLU  50          HG2       GLU  50   5.377   7.264  -6.044
  395   2HG   GLU  50          HG3       GLU  50   5.025   5.841  -6.998
  396    H    VAL  51           H        VAL  51   3.138   5.173  -8.400
  397    HA   VAL  51           HA       VAL  51   3.363   2.199  -8.118
  398    HB   VAL  51           HB       VAL  51   2.968   3.804 -10.683
  399   1HG1  VAL  51          HG11      VAL  51   4.103   1.628 -11.015
  400   2HG1  VAL  51          HG12      VAL  51   2.815   0.800 -10.115
  401   3HG1  VAL  51          HG13      VAL  51   2.470   1.584 -11.672
  402   1HG2  VAL  51          HG21      VAL  51   0.918   2.199  -9.099
  403   2HG2  VAL  51          HG22      VAL  51   0.891   3.958  -9.371
  404   3HG2  VAL  51          HG23      VAL  51   0.675   2.862 -10.733
  405    H    LYS  52           H        LYS  52   5.383   1.347  -8.537
  406    HA   LYS  52           HA       LYS  52   7.562   3.389  -8.632
  407   1HB   LYS  52          HB2       LYS  52   7.546   0.561  -7.514
  408   2HB   LYS  52          HB3       LYS  52   8.852   1.735  -7.356
  409   1HG   LYS  52          HG2       LYS  52   6.085   1.916  -6.088
  410   2HG   LYS  52          HG3       LYS  52   7.607   1.537  -5.289
  411   1HD   LYS  52          HD2       LYS  52   8.463   3.803  -5.763
  412   2HD   LYS  52          HD3       LYS  52   6.913   4.227  -6.540
  413   1HE   LYS  52          HE2       LYS  52   5.692   3.801  -4.488
  414   2HE   LYS  52          HE3       LYS  52   7.144   3.190  -3.688
  415   1HZ   LYS  52          HZ1       LYS  52   6.821   5.996  -4.586
  416   2HZ   LYS  52          HZ2       LYS  52   6.575   5.449  -3.056
  417   3HZ   LYS  52          HZ3       LYS  52   8.075   5.387  -3.725
  418    H    LYS  53           H        LYS  53   6.140   1.430 -10.853
  419    HA   LYS  53           HA       LYS  53   8.643   0.930 -12.340
  420   1HB   LYS  53          HB2       LYS  53   6.514  -1.156 -11.653
  421   2HB   LYS  53          HB3       LYS  53   7.739  -1.371 -12.902
  422   1HG   LYS  53          HG2       LYS  53   8.432  -0.952  -9.978
  423   2HG   LYS  53          HG3       LYS  53   8.244  -2.531 -10.753
  424   1HD   LYS  53          HD2       LYS  53   9.997  -1.971 -12.390
  425   2HD   LYS  53          HD3       LYS  53  10.234  -0.388 -11.619
  426   1HE   LYS  53          HE2       LYS  53  10.999  -1.427  -9.560
  427   2HE   LYS  53          HE3       LYS  53  10.604  -3.032 -10.151
  428   1HZ   LYS  53          HZ1       LYS  53  12.246  -2.639 -11.970
  429   2HZ   LYS  53          HZ2       LYS  53  12.709  -1.251 -11.223
  430   3HZ   LYS  53          HZ3       LYS  53  12.876  -2.720 -10.463
  431    H    LYS  54           H        LYS  54   7.841  -0.099 -14.592
  432    HA   LYS  54           HA       LYS  54   5.373   1.119 -15.555
  433   1HB   LYS  54          HB2       LYS  54   6.464   2.350 -17.358
  434   2HB   LYS  54          HB3       LYS  54   6.948   2.993 -15.791
  435   1HG   LYS  54          HG2       LYS  54   9.108   1.778 -15.934
  436   2HG   LYS  54          HG3       LYS  54   8.646   1.102 -17.499
  437   1HD   LYS  54          HD2       LYS  54   8.964   4.075 -16.906
  438   2HD   LYS  54          HD3       LYS  54  10.195   3.039 -17.647
  439   1HE   LYS  54          HE2       LYS  54   8.629   2.524 -19.521
  440   2HE   LYS  54          HE3       LYS  54   7.432   3.615 -18.811
  441   1HZ   LYS  54          HZ1       LYS  54   9.010   5.436 -19.111
  442   2HZ   LYS  54          HZ2       LYS  54  10.114   4.426 -19.773
  443   3HZ   LYS  54          HZ3       LYS  54   8.705   4.710 -20.536
  444    H    GLU  55           H        GLU  55   4.961   0.405 -17.785
  445    HA   GLU  55           HA       GLU  55   5.268  -2.349 -18.114
  446   1HB   GLU  55          HB2       GLU  55   4.799  -0.324 -20.351
  447   2HB   GLU  55          HB3       GLU  55   4.410  -2.039 -20.352
  448   1HG   GLU  55          HG2       GLU  55   2.341  -1.272 -19.850
  449   2HG   GLU  55          HG3       GLU  55   2.950  -1.369 -18.204
  450    H    GLY  56           H        GLY  56   6.864  -3.604 -18.817
  451   1HA   GLY  56          HA2       GLY  56   8.568  -4.379 -20.132
  452   2HA   GLY  56          HA3       GLY  56   8.756  -2.784 -20.871
  453    H    ASP  57           H        ASP  57   8.872  -2.198 -17.525
  454    HA   ASP  57           HA       ASP  57  11.740  -1.816 -17.640
  455   1HB   ASP  57          HB2       ASP  57  10.205  -0.365 -16.317
  456   2HB   ASP  57          HB3       ASP  57   9.925  -1.711 -15.205
  457    H    PHE  58           H        PHE  58  13.285  -2.787 -16.153
  458    HA   PHE  58           HA       PHE  58  13.091  -5.698 -15.971
  459   1HB   PHE  58          HB2       PHE  58  15.232  -4.547 -16.393
  460   2HB   PHE  58          HB3       PHE  58  15.076  -3.671 -14.878
  461    HD1  PHE  58           HD1      PHE  58  15.733  -6.999 -16.402
  462    HD2  PHE  58           HD2      PHE  58  15.638  -4.711 -12.743
  463    HE1  PHE  58           HE1      PHE  58  16.994  -8.792 -15.244
  464    HE2  PHE  58           HE2      PHE  58  16.911  -6.505 -11.595
  465    HZ   PHE  58           HZ       PHE  58  17.612  -8.537 -12.851
  466    H    VAL  59           H        VAL  59  12.748  -6.912 -14.079
  467    HA   VAL  59           HA       VAL  59  12.268  -5.528 -11.537
  468    HB   VAL  59           HB       VAL  59  10.144  -6.938 -11.273
  469   1HG1  VAL  59          HG11      VAL  59  10.142  -4.508 -11.398
  470   2HG1  VAL  59          HG12      VAL  59  10.037  -4.566 -13.175
  471   3HG1  VAL  59          HG13      VAL  59   8.712  -5.186 -12.175
  472   1HG2  VAL  59          HG21      VAL  59   8.818  -7.399 -13.261
  473   2HG2  VAL  59          HG22      VAL  59  10.125  -6.847 -14.317
  474   3HG2  VAL  59          HG23      VAL  59  10.345  -8.308 -13.326
  475    H    ASN  60           H        ASN  60  12.054  -7.105  -9.742
  476    HA   ASN  60           HA       ASN  60  13.407  -9.635 -10.261
  477   1HB   ASN  60          HB2       ASN  60  14.969  -7.390  -9.746
  478   2HB   ASN  60          HB3       ASN  60  14.754  -8.080  -8.137
  479   1HD2  ASN  60          HD22      ASN  60  15.453  -9.044 -11.548
  480   2HD2  ASN  60          HD21      ASN  60  16.619 -10.286 -11.135
  481    H    GLU  61           H        GLU  61  13.805 -10.831  -8.196
  482    HA   GLU  61           HA       GLU  61  11.348 -11.128  -6.768
  483   1HB   GLU  61          HB2       GLU  61  12.875 -12.970  -7.210
  484   2HB   GLU  61          HB3       GLU  61  14.174 -12.176  -6.328
  485   1HG   GLU  61          HG2       GLU  61  12.774 -12.339  -4.228
  486   2HG   GLU  61          HG3       GLU  61  11.531 -13.173  -5.158
  487    H    GLY  62           H        GLY  62  10.598  -9.565  -5.458
  488   1HA   GLY  62          HA2       GLY  62  10.519  -8.545  -3.366
  489   2HA   GLY  62          HA3       GLY  62  12.284  -8.560  -3.247
  490    H    ASP  63           H        ASP  63  11.398  -7.485  -6.409
  491    HA   ASP  63           HA       ASP  63  12.191  -4.753  -5.743
  492   1HB   ASP  63          HB2       ASP  63  12.879  -6.148  -7.803
  493   2HB   ASP  63          HB3       ASP  63  11.251  -5.863  -8.416
  494    H    VAL  64           H        VAL  64  10.709  -3.041  -5.555
  495    HA   VAL  64           HA       VAL  64   8.011  -3.770  -4.942
  496    HB   VAL  64           HB       VAL  64   9.285  -1.019  -5.257
  497   1HG1  VAL  64          HG11      VAL  64   6.671  -1.900  -3.954
  498   2HG1  VAL  64          HG12      VAL  64   7.419  -0.308  -3.705
  499   3HG1  VAL  64          HG13      VAL  64   6.864  -0.777  -5.312
  500   1HG2  VAL  64          HG21      VAL  64  10.433  -2.349  -3.518
  501   2HG2  VAL  64          HG22      VAL  64   9.445  -1.098  -2.768
  502   3HG2  VAL  64          HG23      VAL  64   8.869  -2.779  -2.794
  503    H    LEU  65           H        LEU  65   6.105  -3.365  -6.010
  504    HA   LEU  65           HA       LEU  65   6.220  -2.571  -8.881
  505   1HB   LEU  65          HB2       LEU  65   5.164  -4.775  -8.482
  506   2HB   LEU  65          HB3       LEU  65   4.109  -4.076  -7.265
  507    HG   LEU  65           HG       LEU  65   3.033  -2.652  -9.012
  508   1HD1  LEU  65          HD11      LEU  65   4.814  -2.413 -10.632
  509   2HD1  LEU  65          HD12      LEU  65   4.839  -4.172 -10.918
  510   3HD1  LEU  65          HD13      LEU  65   3.434  -3.188 -11.403
  511   1HD2  LEU  65          HD21      LEU  65   1.781  -4.436 -10.091
  512   2HD2  LEU  65          HD22      LEU  65   3.073  -5.605  -9.735
  513   3HD2  LEU  65          HD23      LEU  65   2.118  -4.896  -8.416
  514    H    LEU  66           H        LEU  66   4.367  -2.112  -5.763
  515    HA   LEU  66           HA       LEU  66   4.087   0.698  -6.418
  516   1HB   LEU  66          HB2       LEU  66   1.730   0.902  -6.425
  517   2HB   LEU  66          HB3       LEU  66   2.230  -0.111  -7.736
  518    HG   LEU  66           HG       LEU  66   0.059  -0.619  -6.636
  519   1HD1  LEU  66          HD11      LEU  66   1.030  -2.276  -8.052
  520   2HD1  LEU  66          HD12      LEU  66   2.051  -2.894  -6.731
  521   3HD1  LEU  66          HD13      LEU  66   0.284  -3.074  -6.669
  522   1HD2  LEU  66          HD21      LEU  66  -0.095  -1.860  -4.593
  523   2HD2  LEU  66          HD22      LEU  66   1.651  -1.817  -4.357
  524   3HD2  LEU  66          HD23      LEU  66   0.711  -0.310  -4.284
  525    H    GLU  67           H        GLU  67   2.780   1.863  -4.750
  526    HA   GLU  67           HA       GLU  67   3.283   0.803  -2.018
  527   1HB   GLU  67          HB2       GLU  67   5.075   2.333  -2.716
  528   2HB   GLU  67          HB3       GLU  67   3.884   3.555  -3.191
  529   1HG   GLU  67          HG2       GLU  67   3.189   3.829  -0.859
  530   2HG   GLU  67          HG3       GLU  67   4.230   2.481  -0.370
  531    H    LEU  68           H        LEU  68   1.613   1.459  -0.533
  532    HA   LEU  68           HA       LEU  68  -0.885   2.406  -1.863
  533   1HB   LEU  68          HB2       LEU  68  -0.509   0.260   0.255
  534   2HB   LEU  68          HB3       LEU  68  -2.061   0.836  -0.324
  535    HG   LEU  68           HG       LEU  68  -0.007  -0.666  -1.984
  536   1HD1  LEU  68          HD11      LEU  68  -1.094  -2.029  -0.235
  537   2HD1  LEU  68          HD12      LEU  68  -2.687  -1.577  -0.867
  538   3HD1  LEU  68          HD13      LEU  68  -1.574  -2.537  -1.864
  539   1HD2  LEU  68          HD21      LEU  68  -1.248   0.756  -3.445
  540   2HD2  LEU  68          HD22      LEU  68  -1.931  -0.843  -3.626
  541   3HD2  LEU  68          HD23      LEU  68  -2.803   0.356  -2.664
  542    H    SER  69           H        SER  69  -2.374   3.487  -0.552
  543    HA   SER  69           HA       SER  69  -1.350   4.969   1.739
  544   1HB   SER  69          HB2       SER  69  -4.149   4.843   0.560
  545   2HB   SER  69          HB3       SER  69  -3.475   6.124   1.583
  546    HG   SER  69           HG       SER  69  -3.439   6.718  -0.607
  547    H    ASN  70           H        ASN  70  -1.987   1.832   1.751
  548    HA   ASN  70           HA       ASN  70  -3.395   1.720   4.337
  549   1HB   ASN  70          HB2       ASN  70  -5.215   1.493   2.651
  550   2HB   ASN  70          HB3       ASN  70  -4.277   0.254   1.806
  551   1HD2  ASN  70          HD22      ASN  70  -5.053  -1.831   2.248
  552   2HD2  ASN  70          HD21      ASN  70  -5.566  -2.333   3.837
  553    H    SER  71           H        SER  71  -2.878  -0.260   5.431
  554    HA   SER  71           HA       SER  71  -1.315  -1.747   6.165
  555   1HB   SER  71          HB2       SER  71  -2.111  -2.920   3.482
  556   2HB   SER  71          HB3       SER  71  -1.440  -3.833   4.851
  557    HG   SER  71           HG       SER  71  -3.263  -3.320   6.056
  558    H    THR  72           H        THR  72   0.108   0.358   5.356
  559    HA   THR  72           HA       THR  72   2.626  -0.717   4.295
  560    HB   THR  72           HB       THR  72   1.092   1.675   3.159
  561    HG1  THR  72           HG1      THR  72   0.349  -0.183   2.288
  562   1HG2  THR  72          HG21      THR  72   3.882   0.644   2.498
  563   2HG2  THR  72          HG22      THR  72   2.953   1.775   1.484
  564   3HG2  THR  72          HG23      THR  72   3.442   2.252   3.111
  565    H    GLN  73           H        GLN  73   4.403   0.555   5.128
  566    HA   GLN  73           HA       GLN  73   3.872   2.811   6.923
  567   1HB   GLN  73          HB2       GLN  73   5.278   0.240   7.808
  568   2HB   GLN  73          HB3       GLN  73   5.321   1.772   8.678
  569   1HG   GLN  73          HG2       GLN  73   2.835   1.671   8.951
  570   2HG   GLN  73          HG3       GLN  73   2.836   0.082   8.172
  571   1HE2  GLN  73          HE22      GLN  73   3.812   1.877  11.093
  572   2HE2  GLN  73          HE21      GLN  73   4.115   0.470  12.080
  Start of MODEL    4
    1   1H    THR   2          H1        THR   2   5.677  -4.122   0.639
    2   2H    THR   2          H2        THR   2   5.972  -3.141  -0.656
    3   3H    THR   2          H3        THR   2   5.812  -2.506   0.855
    4    HA   THR   2           HA       THR   2   3.575  -3.299   1.005
    5    HB   THR   2           HB       THR   2   3.942  -1.341  -1.273
    6    HG1  THR   2           HG1      THR   2   4.949  -0.216   0.174
    7   1HG2  THR   2          HG21      THR   2   1.786  -1.794   0.844
    8   2HG2  THR   2          HG22      THR   2   1.920  -0.319  -0.123
    9   3HG2  THR   2          HG23      THR   2   1.600  -1.866  -0.921
   10    H    VAL   3           H        VAL   3   3.947  -3.009  -2.648
   11    HA   VAL   3           HA       VAL   3   3.185  -5.872  -2.794
   12    HB   VAL   3           HB       VAL   3   2.018  -3.711  -4.576
   13   1HG1  VAL   3          HG11      VAL   3   1.383  -6.681  -4.328
   14   2HG1  VAL   3          HG12      VAL   3   0.582  -5.523  -5.421
   15   3HG1  VAL   3          HG13      VAL   3   2.281  -5.924  -5.662
   16   1HG2  VAL   3          HG21      VAL   3  -0.197  -4.286  -3.549
   17   2HG2  VAL   3          HG22      VAL   3   0.664  -5.221  -2.302
   18   3HG2  VAL   3          HG23      VAL   3   0.897  -3.466  -2.441
   19    H    SER   4           H        SER   4   4.550  -6.920  -4.119
   20    HA   SER   4           HA       SER   4   6.527  -5.436  -5.764
   21   1HB   SER   4          HB2       SER   4   7.124  -7.506  -3.618
   22   2HB   SER   4          HB3       SER   4   8.312  -6.622  -4.580
   23    HG   SER   4           HG       SER   4   7.987  -5.755  -2.447
   24    H    ILE   5           H        ILE   5   7.869  -6.886  -7.018
   25    HA   ILE   5           HA       ILE   5   6.413  -9.200  -8.132
   26    HB   ILE   5           HB       ILE   5   9.076  -7.906  -8.926
   27   1HG1  ILE   5          HG12      ILE   5   7.580  -7.263 -11.015
   28   2HG1  ILE   5          HG13      ILE   5   6.233  -7.408  -9.902
   29   1HG2  ILE   5          HG21      ILE   5   7.304  -9.898 -10.419
   30   2HG2  ILE   5          HG22      ILE   5   8.796  -9.159 -11.036
   31   3HG2  ILE   5          HG23      ILE   5   8.880 -10.246  -9.672
   32   1HD1  ILE   5          HD11      ILE   5   8.642  -5.559  -9.532
   33   2HD1  ILE   5          HD12      ILE   5   7.086  -5.079 -10.240
   34   3HD1  ILE   5          HD13      ILE   5   7.167  -5.556  -8.547
   35    H    GLN   6           H        GLN   6   7.488 -11.335  -8.038
   36    HA   GLN   6           HA       GLN   6   9.504 -11.647  -5.874
   37   1HB   GLN   6          HB2       GLN   6   8.223 -13.604  -5.030
   38   2HB   GLN   6          HB3       GLN   6   7.532 -12.038  -4.704
   39   1HG   GLN   6          HG2       GLN   6   6.557 -13.646  -7.092
   40   2HG   GLN   6          HG3       GLN   6   6.007 -14.032  -5.469
   41   1HE2  GLN   6          HE22      GLN   6   5.140 -12.193  -8.153
   42   2HE2  GLN   6          HE21      GLN   6   4.233 -10.941  -7.325
   43    H    MET   7           H        MET   7   9.753 -11.672  -8.825
   44    HA   MET   7           HA       MET   7  11.424 -14.001  -8.997
   45   1HB   MET   7          HB2       MET   7  10.441 -14.830 -11.118
   46   2HB   MET   7          HB3       MET   7   9.413 -15.127  -9.728
   47   1HG   MET   7          HG2       MET   7   8.989 -12.803 -11.638
   48   2HG   MET   7          HG3       MET   7   8.296 -14.401 -11.872
   49   1HE   MET   7          HE1       MET   7   5.815 -13.439 -12.086
   50   2HE   MET   7          HE2       MET   7   6.017 -15.003 -11.262
   51   3HE   MET   7          HE3       MET   7   4.891 -13.793 -10.614
   52    H    ALA   8           H        ALA   8  12.859 -13.778 -10.892
   53    HA   ALA   8           HA       ALA   8  13.327 -10.970 -11.620
   54   1HB   ALA   8          HB1       ALA   8  15.331 -11.862 -12.703
   55   2HB   ALA   8          HB2       ALA   8  15.205 -12.451 -11.028
   56   3HB   ALA   8          HB3       ALA   8  14.785 -13.525 -12.388
   57    H    GLY   9           H        GLY   9  12.921 -10.016 -13.595
   58   1HA   GLY   9          HA2       GLY   9  12.681 -11.325 -16.055
   59   2HA   GLY   9          HA3       GLY   9  11.057 -11.310 -15.373
   60    H    ASN  10           H        ASN  10  10.250  -9.883 -16.959
   61    HA   ASN  10           HA       ASN  10  11.039  -7.017 -16.603
   62   1HB   ASN  10          HB2       ASN  10  10.781  -8.592 -19.177
   63   2HB   ASN  10          HB3       ASN  10  10.219  -6.925 -19.127
   64   1HD2  ASN  10          HD22      ASN  10  13.102  -7.898 -17.186
   65   2HD2  ASN  10          HD21      ASN  10  14.232  -7.074 -18.239
   66    H    LEU  11           H        LEU  11   9.282  -5.644 -16.557
   67    HA   LEU  11           HA       LEU  11   6.867  -6.964 -15.665
   68   1HB   LEU  11          HB2       LEU  11   8.113  -5.075 -14.521
   69   2HB   LEU  11          HB3       LEU  11   7.483  -3.998 -15.758
   70    HG   LEU  11           HG       LEU  11   5.140  -4.680 -15.064
   71   1HD1  LEU  11          HD11      LEU  11   5.459  -6.853 -14.017
   72   2HD1  LEU  11          HD12      LEU  11   6.656  -6.193 -12.886
   73   3HD1  LEU  11          HD13      LEU  11   4.952  -5.742 -12.750
   74   1HD2  LEU  11          HD21      LEU  11   5.193  -3.347 -12.995
   75   2HD2  LEU  11          HD22      LEU  11   6.941  -3.612 -12.847
   76   3HD2  LEU  11          HD23      LEU  11   6.281  -2.660 -14.203
   77    H    TRP  12           H        TRP  12   6.306  -7.815 -17.743
   78    HA   TRP  12           HA       TRP  12   5.954  -6.893 -20.168
   79   1HB   TRP  12          HB2       TRP  12   5.223  -9.111 -19.074
   80   2HB   TRP  12          HB3       TRP  12   3.671  -8.351 -18.807
   81    HD1  TRP  12           HD1      TRP  12   6.049  -9.074 -21.712
   82    HE1  TRP  12           HE1      TRP  12   4.740  -9.775 -23.797
   83    HE3  TRP  12           HE3      TRP  12   1.316  -8.507 -19.882
   84    HZ2  TRP  12           HZ2      TRP  12   1.956 -10.120 -24.544
   85    HZ3  TRP  12           HZ3      TRP  12  -0.647  -9.097 -21.269
   86    HH2  TRP  12           HH2      TRP  12  -0.341  -9.897 -23.604
   87    H    LYS  13           H        LYS  13   3.293  -6.354 -17.770
   88    HA   LYS  13           HA       LYS  13   2.595  -3.805 -19.036
   89   1HB   LYS  13          HB2       LYS  13   0.668  -6.166 -18.864
   90   2HB   LYS  13          HB3       LYS  13   0.148  -4.488 -19.063
   91   1HG   LYS  13          HG2       LYS  13   1.507  -4.359 -21.178
   92   2HG   LYS  13          HG3       LYS  13   1.834  -6.094 -21.017
   93   1HD   LYS  13          HD2       LYS  13  -0.651  -6.510 -21.026
   94   2HD   LYS  13          HD3       LYS  13  -0.893  -4.777 -21.338
   95   1HE   LYS  13          HE2       LYS  13   0.518  -4.982 -23.396
   96   2HE   LYS  13          HE3       LYS  13   0.692  -6.715 -23.090
   97   1HZ   LYS  13          HZ1       LYS  13  -1.056  -6.269 -24.690
   98   2HZ   LYS  13          HZ2       LYS  13  -1.718  -6.928 -23.354
   99   3HZ   LYS  13          HZ3       LYS  13  -1.869  -5.325 -23.643
  100    H    VAL  14           H        VAL  14   1.014  -2.631 -17.639
  101    HA   VAL  14           HA       VAL  14   0.893  -3.557 -14.821
  102    HB   VAL  14           HB       VAL  14   1.939  -0.826 -15.701
  103   1HG1  VAL  14          HG11      VAL  14   0.667  -0.564 -13.622
  104   2HG1  VAL  14          HG12      VAL  14   1.484  -1.971 -12.898
  105   3HG1  VAL  14          HG13      VAL  14   2.387  -0.485 -13.245
  106   1HG2  VAL  14          HG21      VAL  14   4.018  -1.565 -14.495
  107   2HG2  VAL  14          HG22      VAL  14   3.289  -3.184 -14.327
  108   3HG2  VAL  14          HG23      VAL  14   3.692  -2.531 -15.930
  109    H    HIS  15           H        HIS  15  -0.969  -2.787 -13.759
  110    HA   HIS  15           HA       HIS  15  -3.048  -1.625 -15.558
  111   1HB   HIS  15          HB2       HIS  15  -3.577  -3.786 -13.522
  112   2HB   HIS  15          HB3       HIS  15  -4.539  -3.331 -14.918
  113    HD1  HIS  15           HD1      HIS  15  -2.309  -3.743 -17.218
  114    HD2  HIS  15           HD2      HIS  15  -2.985  -6.243 -13.902
  115    HE1  HIS  15           HE1      HIS  15  -1.269  -6.012 -17.783
  116    H    VAL  16           H        VAL  16  -1.420  -0.263 -13.418
  117    HA   VAL  16           HA       VAL  16  -3.674   0.700 -11.749
  118    HB   VAL  16           HB       VAL  16  -2.091   0.947  -9.851
  119   1HG1  VAL  16          HG11      VAL  16  -2.564  -1.945 -10.654
  120   2HG1  VAL  16          HG12      VAL  16  -2.261  -1.325  -9.013
  121   3HG1  VAL  16          HG13      VAL  16  -3.743  -0.871  -9.868
  122   1HG2  VAL  16          HG21      VAL  16   0.042   0.635 -11.220
  123   2HG2  VAL  16          HG22      VAL  16  -0.047  -0.172  -9.659
  124   3HG2  VAL  16          HG23      VAL  16  -0.288  -1.111 -11.154
  125    H    LYS  17           H        LYS  17  -3.236   2.796 -10.787
  126    HA   LYS  17           HA       LYS  17  -1.062   4.406 -11.800
  127   1HB   LYS  17          HB2       LYS  17  -2.528   6.252 -12.544
  128   2HB   LYS  17          HB3       LYS  17  -2.709   4.829 -13.568
  129   1HG   LYS  17          HG2       LYS  17  -4.830   4.244 -12.417
  130   2HG   LYS  17          HG3       LYS  17  -4.648   5.647 -11.346
  131   1HD   LYS  17          HD2       LYS  17  -4.737   7.158 -13.311
  132   2HD   LYS  17          HD3       LYS  17  -4.930   5.750 -14.380
  133   1HE   LYS  17          HE2       LYS  17  -7.019   5.132 -13.180
  134   2HE   LYS  17          HE3       LYS  17  -6.827   6.532 -12.117
  135   1HZ   LYS  17          HZ1       LYS  17  -7.061   7.960 -14.066
  136   2HZ   LYS  17          HZ2       LYS  17  -7.238   6.665 -15.049
  137   3HZ   LYS  17          HZ3       LYS  17  -8.362   6.992 -13.918
  138    H    ALA  18           H        ALA  18  -0.894   6.346 -10.359
  139    HA   ALA  18           HA       ALA  18  -1.616   5.867  -7.652
  140   1HB   ALA  18          HB1       ALA  18  -0.943   8.505  -9.029
  141   2HB   ALA  18          HB2       ALA  18  -0.970   8.218  -7.276
  142   3HB   ALA  18          HB3       ALA  18   0.223   7.380  -8.287
  143    H    GLY  19           H        GLY  19  -3.435   6.318  -6.514
  144   1HA   GLY  19          HA2       GLY  19  -5.449   7.362  -5.975
  145   2HA   GLY  19          HA3       GLY  19  -5.587   8.018  -7.611
  146    H    ASP  20           H        ASP  20  -4.806   4.882  -8.306
  147    HA   ASP  20           HA       ASP  20  -7.553   4.066  -8.773
  148   1HB   ASP  20          HB2       ASP  20  -5.553   3.456 -10.212
  149   2HB   ASP  20          HB3       ASP  20  -5.022   2.382  -8.909
  150    H    GLN  21           H        GLN  21  -8.314   1.884  -7.954
  151    HA   GLN  21           HA       GLN  21  -7.600   1.407  -5.078
  152   1HB   GLN  21          HB2       GLN  21  -9.922   2.212  -5.336
  153   2HB   GLN  21          HB3       GLN  21 -10.203   1.050  -6.622
  154   1HG   GLN  21          HG2       GLN  21 -11.307   0.186  -4.745
  155   2HG   GLN  21          HG3       GLN  21  -9.900  -0.826  -4.950
  156   1HE2  GLN  21          HE22      GLN  21  -8.798  -1.272  -2.997
  157   2HE2  GLN  21          HE21      GLN  21  -8.944  -0.270  -1.571
  158    H    ILE  22           H        ILE  22  -6.913  -0.675  -4.628
  159    HA   ILE  22           HA       ILE  22  -7.447  -2.796  -6.634
  160    HB   ILE  22           HB       ILE  22  -5.299  -3.761  -6.416
  161   1HG1  ILE  22          HG12      ILE  22  -4.594  -1.597  -4.391
  162   2HG1  ILE  22          HG13      ILE  22  -4.783  -3.329  -4.087
  163   1HG2  ILE  22          HG21      ILE  22  -4.883  -0.791  -6.929
  164   2HG2  ILE  22          HG22      ILE  22  -3.922  -2.129  -7.564
  165   3HG2  ILE  22          HG23      ILE  22  -5.596  -1.939  -8.082
  166   1HD1  ILE  22          HD11      ILE  22  -2.581  -1.971  -5.660
  167   2HD1  ILE  22          HD12      ILE  22  -2.457  -2.946  -4.176
  168   3HD1  ILE  22          HD13      ILE  22  -2.854  -3.726  -5.702
  169    H    GLU  23           H        GLU  23  -7.262  -4.986  -5.619
  170    HA   GLU  23           HA       GLU  23  -8.176  -5.043  -2.812
  171   1HB   GLU  23          HB2       GLU  23 -10.117  -4.767  -4.332
  172   2HB   GLU  23          HB3       GLU  23  -9.591  -6.190  -5.246
  173   1HG   GLU  23          HG2       GLU  23 -11.282  -7.034  -3.904
  174   2HG   GLU  23          HG3       GLU  23  -9.852  -7.481  -2.991
  175    H    LYS  24           H        LYS  24  -7.343  -6.909  -1.799
  176    HA   LYS  24           HA       LYS  24  -5.186  -8.288  -2.703
  177   1HB   LYS  24          HB2       LYS  24  -6.133  -8.308  -0.403
  178   2HB   LYS  24          HB3       LYS  24  -7.402  -9.416  -0.938
  179   1HG   LYS  24          HG2       LYS  24  -5.677 -11.117  -1.512
  180   2HG   LYS  24          HG3       LYS  24  -4.408  -9.988  -1.030
  181   1HD   LYS  24          HD2       LYS  24  -5.477  -9.953   1.308
  182   2HD   LYS  24          HD3       LYS  24  -6.582 -11.204   0.729
  183   1HE   LYS  24          HE2       LYS  24  -4.946 -12.474   1.782
  184   2HE   LYS  24          HE3       LYS  24  -4.449 -12.545   0.089
  185   1HZ   LYS  24          HZ1       LYS  24  -3.291 -10.840   2.217
  186   2HZ   LYS  24          HZ2       LYS  24  -2.555 -12.068   1.442
  187   3HZ   LYS  24          HZ3       LYS  24  -2.882 -10.670   0.646
  188    H    GLY  25           H        GLY  25  -4.745  -9.684  -4.323
  189   1HA   GLY  25          HA2       GLY  25  -4.979 -11.668  -5.508
  190   2HA   GLY  25          HA3       GLY  25  -6.695 -11.752  -5.102
  191    H    GLN  26           H        GLN  26  -6.569  -8.627  -6.104
  192    HA   GLN  26           HA       GLN  26  -7.483  -9.124  -8.801
  193   1HB   GLN  26          HB2       GLN  26  -8.006  -7.088  -7.273
  194   2HB   GLN  26          HB3       GLN  26  -6.357  -6.538  -7.648
  195   1HG   GLN  26          HG2       GLN  26  -7.194  -6.859 -10.171
  196   2HG   GLN  26          HG3       GLN  26  -8.787  -6.763  -9.441
  197   1HE2  GLN  26          HE22      GLN  26  -5.971  -5.012 -10.462
  198   2HE2  GLN  26          HE21      GLN  26  -6.507  -3.413  -9.961
  199    H    GLU  27           H        GLU  27  -6.236  -9.045 -10.727
  200    HA   GLU  27           HA       GLU  27  -3.343  -9.092 -10.543
  201   1HB   GLU  27          HB2       GLU  27  -3.323  -9.310 -12.873
  202   2HB   GLU  27          HB3       GLU  27  -4.629 -10.317 -12.286
  203   1HG   GLU  27          HG2       GLU  27  -4.859  -7.623 -13.687
  204   2HG   GLU  27          HG3       GLU  27  -5.198  -9.202 -14.372
  205    H    VAL  28           H        VAL  28  -1.918  -7.451 -10.961
  206    HA   VAL  28           HA       VAL  28  -2.951  -4.714 -11.486
  207    HB   VAL  28           HB       VAL  28  -1.327  -3.907  -9.712
  208   1HG1  VAL  28          HG11      VAL  28  -2.898  -4.218  -7.882
  209   2HG1  VAL  28          HG12      VAL  28  -3.781  -3.910  -9.385
  210   3HG1  VAL  28          HG13      VAL  28  -3.697  -5.556  -8.723
  211   1HG2  VAL  28          HG21      VAL  28  -1.557  -6.753  -8.689
  212   2HG2  VAL  28          HG22      VAL  28  -0.077  -6.070  -9.389
  213   3HG2  VAL  28          HG23      VAL  28  -0.743  -5.404  -7.882
  214    H    ALA  29           H        ALA  29  -0.469  -7.167 -12.011
  215    HA   ALA  29           HA       ALA  29   0.387  -5.594 -14.278
  216   1HB   ALA  29          HB1       ALA  29   2.433  -6.261 -12.095
  217   2HB   ALA  29          HB2       ALA  29   2.811  -5.659 -13.718
  218   3HB   ALA  29          HB3       ALA  29   1.922  -4.638 -12.587
  219    H    ILE  30           H        ILE  30   2.236  -6.959 -15.385
  220    HA   ILE  30           HA       ILE  30   1.889  -9.865 -14.928
  221    HB   ILE  30           HB       ILE  30   1.542  -8.409 -17.578
  222   1HG1  ILE  30          HG12      ILE  30  -0.230 -10.509 -16.240
  223   2HG1  ILE  30          HG13      ILE  30  -0.485  -8.781 -16.087
  224   1HG2  ILE  30          HG21      ILE  30   1.910 -11.412 -17.144
  225   2HG2  ILE  30          HG22      ILE  30   1.505 -10.639 -18.687
  226   3HG2  ILE  30          HG23      ILE  30   3.067 -10.345 -17.966
  227   1HD1  ILE  30          HD11      ILE  30  -0.697 -10.369 -18.662
  228   2HD1  ILE  30          HD12      ILE  30  -1.994  -9.599 -17.742
  229   3HD1  ILE  30          HD13      ILE  30  -0.783  -8.591 -18.552
  230    H    LEU  31           H        LEU  31   3.743 -10.967 -15.347
  231    HA   LEU  31           HA       LEU  31   6.263  -9.422 -15.726
  232   1HB   LEU  31          HB2       LEU  31   5.931 -10.118 -13.465
  233   2HB   LEU  31          HB3       LEU  31   5.436 -11.746 -13.925
  234    HG   LEU  31           HG       LEU  31   7.644 -11.454 -12.820
  235   1HD1  LEU  31          HD11      LEU  31   7.822 -12.850 -15.510
  236   2HD1  LEU  31          HD12      LEU  31   8.828 -13.133 -14.080
  237   3HD1  LEU  31          HD13      LEU  31   7.101 -13.515 -14.038
  238   1HD2  LEU  31          HD21      LEU  31   9.529 -10.602 -13.871
  239   2HD2  LEU  31          HD22      LEU  31   8.746 -10.538 -15.469
  240   3HD2  LEU  31          HD23      LEU  31   8.261  -9.407 -14.195
  241    H    GLU  32           H        GLU  32   7.548 -10.196 -17.348
  242    HA   GLU  32           HA       GLU  32   6.786 -12.715 -18.727
  243   1HB   GLU  32          HB2       GLU  32   6.574 -10.700 -20.086
  244   2HB   GLU  32          HB3       GLU  32   8.247 -10.251 -19.772
  245   1HG   GLU  32          HG2       GLU  32   7.396 -12.851 -21.127
  246   2HG   GLU  32          HG3       GLU  32   7.682 -11.362 -22.013
  247    H    SER  33           H        SER  33   8.178 -14.340 -18.358
  248    HA   SER  33           HA       SER  33  10.982 -14.059 -18.339
  249   1HB   SER  33          HB2       SER  33  10.283 -13.264 -15.931
  250   2HB   SER  33          HB3       SER  33   9.956 -14.973 -15.629
  251    HG   SER  33           HG       SER  33  12.104 -14.063 -15.155
  252    H    MET  34           H        MET  34  11.943 -16.335 -17.826
  253    HA   MET  34           HA       MET  34  12.085 -18.429 -18.675
  254   1HB   MET  34          HB2       MET  34   9.365 -18.827 -17.359
  255   2HB   MET  34          HB3       MET  34  10.478 -20.082 -17.862
  256   1HG   MET  34          HG2       MET  34  10.749 -19.958 -15.574
  257   2HG   MET  34          HG3       MET  34  12.179 -19.214 -16.264
  258   1HE   MET  34          HE1       MET  34   8.589 -17.429 -15.745
  259   2HE   MET  34          HE2       MET  34   8.731 -18.591 -14.404
  260   3HE   MET  34          HE3       MET  34   8.795 -16.842 -14.087
  261    H    LYS  35           H        LYS  35  10.965 -16.435 -20.488
  262    HA   LYS  35           HA       LYS  35   9.818 -16.104 -22.383
  263   1HB   LYS  35          HB2       LYS  35  10.371 -19.053 -22.883
  264   2HB   LYS  35          HB3       LYS  35   9.892 -17.862 -24.096
  265   1HG   LYS  35          HG2       LYS  35  11.952 -16.551 -23.633
  266   2HG   LYS  35          HG3       LYS  35  12.474 -17.792 -22.475
  267   1HD   LYS  35          HD2       LYS  35  12.418 -19.496 -24.279
  268   2HD   LYS  35          HD3       LYS  35  11.963 -18.257 -25.453
  269   1HE   LYS  35          HE2       LYS  35  14.533 -18.265 -23.797
  270   2HE   LYS  35          HE3       LYS  35  14.402 -18.864 -25.452
  271   1HZ   LYS  35          HZ1       LYS  35  13.786 -16.627 -26.157
  272   2HZ   LYS  35          HZ2       LYS  35  13.934 -16.058 -24.628
  273   3HZ   LYS  35          HZ3       LYS  35  15.238 -16.620 -25.423
  274    H    MET  36           H        MET  36   8.178 -16.480 -20.131
  275    HA   MET  36           HA       MET  36   5.633 -17.239 -21.418
  276   1HB   MET  36          HB2       MET  36   6.635 -18.150 -18.676
  277   2HB   MET  36          HB3       MET  36   4.943 -18.219 -19.176
  278   1HG   MET  36          HG2       MET  36   5.543 -19.689 -21.068
  279   2HG   MET  36          HG3       MET  36   7.219 -19.706 -20.530
  280   1HE   MET  36          HE1       MET  36   7.145 -21.782 -17.250
  281   2HE   MET  36          HE2       MET  36   8.141 -20.957 -18.469
  282   3HE   MET  36          HE3       MET  36   7.109 -20.011 -17.368
  283    H    GLU  37           H        GLU  37   3.819 -16.313 -19.925
  284    HA   GLU  37           HA       GLU  37   4.707 -13.788 -18.628
  285   1HB   GLU  37          HB2       GLU  37   2.170 -14.198 -20.259
  286   2HB   GLU  37          HB3       GLU  37   2.587 -12.785 -19.306
  287   1HG   GLU  37          HG2       GLU  37   3.124 -12.113 -21.449
  288   2HG   GLU  37          HG3       GLU  37   4.684 -12.536 -20.757
  289    H    ILE  38           H        ILE  38   3.810 -13.423 -16.637
  290    HA   ILE  38           HA       ILE  38   1.952 -15.433 -15.486
  291    HB   ILE  38           HB       ILE  38   4.560 -14.455 -14.211
  292   1HG1  ILE  38          HG12      ILE  38   5.014 -17.106 -14.396
  293   2HG1  ILE  38          HG13      ILE  38   4.011 -16.955 -15.824
  294   1HG2  ILE  38          HG21      ILE  38   2.769 -15.022 -12.601
  295   2HG2  ILE  38          HG22      ILE  38   2.584 -16.620 -13.360
  296   3HG2  ILE  38          HG23      ILE  38   4.085 -16.187 -12.520
  297   1HD1  ILE  38          HD11      ILE  38   5.673 -15.180 -16.657
  298   2HD1  ILE  38          HD12      ILE  38   6.639 -15.523 -15.214
  299   3HD1  ILE  38          HD13      ILE  38   6.362 -16.790 -16.421
  300    HA   PRO  39           HA       PRO  39   0.345 -11.408 -14.218
  301   1HB   PRO  39          HB2       PRO  39  -1.627 -12.146 -12.459
  302   2HB   PRO  39          HB3       PRO  39  -1.772 -12.301 -14.237
  303   1HG   PRO  39          HG2       PRO  39  -1.000 -14.434 -12.232
  304   2HG   PRO  39          HG3       PRO  39  -2.170 -14.551 -13.586
  305   1HD   PRO  39          HD2       PRO  39   0.405 -15.462 -13.785
  306   2HD   PRO  39          HD3       PRO  39  -0.440 -14.730 -15.182
  307    H    ILE  40           H        ILE  40   0.394 -10.015 -12.446
  308    HA   ILE  40           HA       ILE  40   1.678 -10.925  -9.919
  309    HB   ILE  40           HB       ILE  40   2.032  -8.301 -11.414
  310   1HG1  ILE  40          HG12      ILE  40   3.344 -10.058 -12.513
  311   2HG1  ILE  40          HG13      ILE  40   4.349  -8.827 -11.772
  312   1HG2  ILE  40          HG21      ILE  40   3.730  -7.768  -9.645
  313   2HG2  ILE  40          HG22      ILE  40   2.072  -7.855  -9.043
  314   3HG2  ILE  40          HG23      ILE  40   3.186  -9.198  -8.743
  315   1HD1  ILE  40          HD11      ILE  40   3.800 -11.570 -10.548
  316   2HD1  ILE  40          HD12      ILE  40   5.260 -11.095 -11.425
  317   3HD1  ILE  40          HD13      ILE  40   4.882 -10.321  -9.887
  318    H    VAL  41           H        VAL  41   0.382 -10.504  -8.236
  319    HA   VAL  41           HA       VAL  41  -2.142  -9.039  -8.740
  320    HB   VAL  41           HB       VAL  41  -3.057 -10.611  -6.967
  321   1HG1  VAL  41          HG11      VAL  41  -3.636 -10.925  -9.286
  322   2HG1  VAL  41          HG12      VAL  41  -2.130 -11.827  -9.599
  323   3HG1  VAL  41          HG13      VAL  41  -3.387 -12.488  -8.524
  324   1HG2  VAL  41          HG21      VAL  41  -0.592 -12.300  -7.586
  325   2HG2  VAL  41          HG22      VAL  41  -0.863 -11.419  -6.060
  326   3HG2  VAL  41          HG23      VAL  41  -1.959 -12.720  -6.541
  327    H    ALA  42           H        ALA  42  -3.154  -8.017  -6.983
  328    HA   ALA  42           HA       ALA  42  -1.508  -6.448  -5.251
  329   1HB   ALA  42          HB1       ALA  42  -3.772  -5.792  -6.077
  330   2HB   ALA  42          HB2       ALA  42  -4.475  -7.133  -5.165
  331   3HB   ALA  42          HB3       ALA  42  -3.701  -5.792  -4.299
  332    H    ASP  43           H        ASP  43  -0.351  -7.398  -3.617
  333    HA   ASP  43           HA       ASP  43  -1.039  -9.852  -2.304
  334   1HB   ASP  43          HB2       ASP  43   1.244  -8.968  -2.319
  335   2HB   ASP  43          HB3       ASP  43   0.725  -7.521  -1.449
  336    H    ARG  44           H        ARG  44  -2.157  -6.561  -1.877
  337    HA   ARG  44           HA       ARG  44  -4.046  -7.320   0.190
  338   1HB   ARG  44          HB2       ARG  44  -3.280  -5.646   1.802
  339   2HB   ARG  44          HB3       ARG  44  -2.039  -6.873   1.538
  340   1HG   ARG  44          HG2       ARG  44  -1.077  -5.119  -0.238
  341   2HG   ARG  44          HG3       ARG  44  -2.100  -3.984   0.640
  342   1HD   ARG  44          HD2       ARG  44   0.127  -3.852   1.469
  343   2HD   ARG  44          HD3       ARG  44  -0.871  -4.583   2.744
  344    HE   ARG  44           HE       ARG  44   0.157  -6.774   1.410
  345   1HH1  ARG  44          HH11      ARG  44   1.704  -3.936   2.909
  346   2HH1  ARG  44          HH12      ARG  44   3.284  -4.674   2.943
  347   1HH2  ARG  44          HH21      ARG  44   2.055  -7.784   1.698
  348   2HH2  ARG  44          HH22      ARG  44   3.454  -7.005   2.420
  349    H    SER  45           H        SER  45  -5.670  -5.604   0.440
  350    HA   SER  45           HA       SER  45  -6.115  -4.123  -1.991
  351   1HB   SER  45          HB2       SER  45  -7.682  -3.916   0.610
  352   2HB   SER  45          HB3       SER  45  -8.262  -3.711  -1.041
  353    HG   SER  45           HG       SER  45  -8.880  -5.721  -0.540
  354    H    GLY  46           H        GLY  46  -6.511  -1.775  -2.100
  355   1HA   GLY  46          HA2       GLY  46  -6.466   0.061  -0.081
  356   2HA   GLY  46          HA3       GLY  46  -4.746  -0.135  -0.438
  357    H    ILE  47           H        ILE  47  -5.479   2.330  -0.854
  358    HA   ILE  47           HA       ILE  47  -6.183   2.694  -3.711
  359    HB   ILE  47           HB       ILE  47  -5.588   4.644  -1.452
  360   1HG1  ILE  47          HG12      ILE  47  -7.843   3.627  -1.347
  361   2HG1  ILE  47          HG13      ILE  47  -7.864   5.363  -1.591
  362   1HG2  ILE  47          HG21      ILE  47  -6.218   6.458  -3.062
  363   2HG2  ILE  47          HG22      ILE  47  -4.680   5.673  -3.418
  364   3HG2  ILE  47          HG23      ILE  47  -6.115   5.266  -4.378
  365   1HD1  ILE  47          HD11      ILE  47  -9.575   4.233  -2.949
  366   2HD1  ILE  47          HD12      ILE  47  -8.409   5.063  -3.985
  367   3HD1  ILE  47          HD13      ILE  47  -8.323   3.298  -3.787
  368    H    VAL  48           H        VAL  48  -4.563   3.054  -5.177
  369    HA   VAL  48           HA       VAL  48  -1.815   2.398  -4.528
  370    HB   VAL  48           HB       VAL  48  -3.009   3.545  -7.047
  371   1HG1  VAL  48          HG11      VAL  48  -1.059   2.506  -8.133
  372   2HG1  VAL  48          HG12      VAL  48  -0.509   3.677  -6.930
  373   3HG1  VAL  48          HG13      VAL  48  -0.441   1.936  -6.567
  374   1HG2  VAL  48          HG21      VAL  48  -4.147   1.433  -6.498
  375   2HG2  VAL  48          HG22      VAL  48  -3.050   1.197  -7.847
  376   3HG2  VAL  48          HG23      VAL  48  -2.584   0.635  -6.223
  377    H    LYS  49           H        LYS  49  -0.650   3.769  -3.320
  378    HA   LYS  49           HA       LYS  49  -1.108   6.668  -3.386
  379   1HB   LYS  49          HB2       LYS  49  -0.551   5.517  -1.264
  380   2HB   LYS  49          HB3       LYS  49   0.973   4.948  -1.951
  381   1HG   LYS  49          HG2       LYS  49   1.350   6.822  -0.467
  382   2HG   LYS  49          HG3       LYS  49   1.790   7.267  -2.116
  383   1HD   LYS  49          HD2       LYS  49  -0.334   8.541  -2.353
  384   2HD   LYS  49          HD3       LYS  49  -0.858   7.968  -0.766
  385   1HE   LYS  49          HE2       LYS  49  -0.083  10.216  -0.509
  386   2HE   LYS  49          HE3       LYS  49   1.070   9.146   0.289
  387   1HZ   LYS  49          HZ1       LYS  49   1.440  10.353  -2.397
  388   2HZ   LYS  49          HZ2       LYS  49   2.160  10.860  -1.029
  389   3HZ   LYS  49          HZ3       LYS  49   2.532   9.397  -1.635
  390    H    GLU  50           H        GLU  50   1.285   4.224  -4.594
  391    HA   GLU  50           HA       GLU  50   2.055   6.138  -6.659
  392   1HB   GLU  50          HB2       GLU  50   3.527   6.756  -4.705
  393   2HB   GLU  50          HB3       GLU  50   4.140   5.106  -4.670
  394   1HG   GLU  50          HG2       GLU  50   5.704   6.664  -5.720
  395   2HG   GLU  50          HG3       GLU  50   5.223   5.389  -6.818
  396    H    VAL  51           H        VAL  51   3.392   5.082  -8.324
  397    HA   VAL  51           HA       VAL  51   3.393   2.097  -8.209
  398    HB   VAL  51           HB       VAL  51   2.985   3.790 -10.715
  399   1HG1  VAL  51          HG11      VAL  51   2.403   1.614 -11.749
  400   2HG1  VAL  51          HG12      VAL  51   4.048   1.582 -11.115
  401   3HG1  VAL  51          HG13      VAL  51   2.742   0.777 -10.219
  402   1HG2  VAL  51          HG21      VAL  51   0.934   2.186  -9.140
  403   2HG2  VAL  51          HG22      VAL  51   0.942   3.956  -9.335
  404   3HG2  VAL  51          HG23      VAL  51   0.662   2.924 -10.737
  405    H    LYS  52           H        LYS  52   5.406   1.294  -8.386
  406    HA   LYS  52           HA       LYS  52   7.601   3.279  -8.457
  407   1HB   LYS  52          HB2       LYS  52   7.537   0.335  -7.672
  408   2HB   LYS  52          HB3       LYS  52   8.900   1.427  -7.433
  409   1HG   LYS  52          HG2       LYS  52   6.184   1.607  -6.057
  410   2HG   LYS  52          HG3       LYS  52   7.692   1.026  -5.363
  411   1HD   LYS  52          HD2       LYS  52   8.702   3.281  -5.627
  412   2HD   LYS  52          HD3       LYS  52   7.139   3.891  -6.242
  413   1HE   LYS  52          HE2       LYS  52   6.018   3.306  -4.188
  414   2HE   LYS  52          HE3       LYS  52   7.450   2.477  -3.565
  415   1HZ   LYS  52          HZ1       LYS  52   7.285   5.395  -4.048
  416   2HZ   LYS  52          HZ2       LYS  52   7.148   4.640  -2.593
  417   3HZ   LYS  52          HZ3       LYS  52   8.569   4.595  -3.415
  418    H    LYS  53           H        LYS  53   6.130   1.316 -10.774
  419    HA   LYS  53           HA       LYS  53   8.647   0.937 -12.308
  420   1HB   LYS  53          HB2       LYS  53   6.492  -1.138 -11.666
  421   2HB   LYS  53          HB3       LYS  53   7.715  -1.351 -12.917
  422   1HG   LYS  53          HG2       LYS  53   8.415  -0.954  -9.988
  423   2HG   LYS  53          HG3       LYS  53   8.212  -2.530 -10.765
  424   1HD   LYS  53          HD2       LYS  53   9.969  -1.983 -12.401
  425   2HD   LYS  53          HD3       LYS  53  10.216  -0.401 -11.634
  426   1HE   LYS  53          HE2       LYS  53  10.978  -1.439  -9.573
  427   2HE   LYS  53          HE3       LYS  53  10.584  -3.043 -10.165
  428   1HZ   LYS  53          HZ1       LYS  53  12.222  -2.644 -11.988
  429   2HZ   LYS  53          HZ2       LYS  53  12.683  -1.258 -11.239
  430   3HZ   LYS  53          HZ3       LYS  53  12.855  -2.728 -10.480
  431    H    LYS  54           H        LYS  54   7.853  -0.053 -14.575
  432    HA   LYS  54           HA       LYS  54   5.404   1.211 -15.515
  433   1HB   LYS  54          HB2       LYS  54   6.459   2.372 -17.369
  434   2HB   LYS  54          HB3       LYS  54   7.047   3.033 -15.849
  435   1HG   LYS  54          HG2       LYS  54   9.160   1.847 -16.060
  436   2HG   LYS  54          HG3       LYS  54   8.605   0.970 -17.487
  437   1HD   LYS  54          HD2       LYS  54   8.947   3.986 -17.331
  438   2HD   LYS  54          HD3       LYS  54  10.150   2.881 -17.981
  439   1HE   LYS  54          HE2       LYS  54   7.329   3.250 -19.103
  440   2HE   LYS  54          HE3       LYS  54   8.782   4.025 -19.724
  441   1HZ   LYS  54          HZ1       LYS  54   8.270   1.097 -19.740
  442   2HZ   LYS  54          HZ2       LYS  54   8.288   2.101 -21.019
  443   3HZ   LYS  54          HZ3       LYS  54   9.673   1.809 -20.219
  444    H    GLU  55           H        GLU  55   5.035   0.481 -17.809
  445    HA   GLU  55           HA       GLU  55   5.326  -2.337 -17.989
  446   1HB   GLU  55          HB2       GLU  55   4.695  -0.396 -20.255
  447   2HB   GLU  55          HB3       GLU  55   4.301  -2.123 -20.163
  448   1HG   GLU  55          HG2       GLU  55   2.975  -1.534 -18.035
  449   2HG   GLU  55          HG3       GLU  55   3.139   0.154 -18.503
  450    H    GLY  56           H        GLY  56   6.873  -3.577 -18.895
  451   1HA   GLY  56          HA2       GLY  56   8.603  -4.236 -20.242
  452   2HA   GLY  56          HA3       GLY  56   8.748  -2.596 -20.889
  453    H    ASP  57           H        ASP  57   8.869  -2.197 -17.515
  454    HA   ASP  57           HA       ASP  57  11.743  -1.775 -17.633
  455   1HB   ASP  57          HB2       ASP  57  10.200  -0.357 -16.277
  456   2HB   ASP  57          HB3       ASP  57   9.934  -1.728 -15.192
  457    H    PHE  58           H        PHE  58  13.285  -2.780 -16.154
  458    HA   PHE  58           HA       PHE  58  13.085  -5.690 -15.989
  459   1HB   PHE  58          HB2       PHE  58  15.225  -4.521 -16.392
  460   2HB   PHE  58          HB3       PHE  58  15.059  -3.664 -14.867
  461    HD1  PHE  58           HD1      PHE  58  15.636  -4.720 -12.749
  462    HD2  PHE  58           HD2      PHE  58  15.720  -6.975 -16.428
  463    HE1  PHE  58           HE1      PHE  58  16.931  -6.514 -11.626
  464    HE2  PHE  58           HE2      PHE  58  17.001  -8.771 -15.296
  465    HZ   PHE  58           HZ       PHE  58  17.637  -8.531 -12.905
  466    H    VAL  59           H        VAL  59  12.745  -6.907 -14.092
  467    HA   VAL  59           HA       VAL  59  12.261  -5.523 -11.553
  468    HB   VAL  59           HB       VAL  59  10.156  -6.963 -11.268
  469   1HG1  VAL  59          HG11      VAL  59  10.010  -4.577 -13.151
  470   2HG1  VAL  59          HG12      VAL  59   8.692  -5.222 -12.156
  471   3HG1  VAL  59          HG13      VAL  59  10.114  -4.535 -11.373
  472   1HG2  VAL  59          HG21      VAL  59   8.815  -7.434 -13.242
  473   2HG2  VAL  59          HG22      VAL  59  10.099  -6.848 -14.310
  474   3HG2  VAL  59          HG23      VAL  59  10.357  -8.315 -13.338
  475    H    ASN  60           H        ASN  60  12.071  -7.109  -9.754
  476    HA   ASN  60           HA       ASN  60  13.459  -9.615 -10.285
  477   1HB   ASN  60          HB2       ASN  60  14.998  -7.355  -9.791
  478   2HB   ASN  60          HB3       ASN  60  14.799  -8.033  -8.175
  479   1HD2  ASN  60          HD22      ASN  60  15.487  -9.014 -11.582
  480   2HD2  ASN  60          HD21      ASN  60  16.667 -10.243 -11.167
  481    H    GLU  61           H        GLU  61  13.910 -10.795  -8.214
  482    HA   GLU  61           HA       GLU  61  11.459 -11.146  -6.796
  483   1HB   GLU  61          HB2       GLU  61  13.026 -12.955  -7.240
  484   2HB   GLU  61          HB3       GLU  61  14.295 -12.147  -6.326
  485   1HG   GLU  61          HG2       GLU  61  12.855 -12.354  -4.256
  486   2HG   GLU  61          HG3       GLU  61  11.648 -13.202  -5.220
  487    H    GLY  62           H        GLY  62  10.671  -9.588  -5.500
  488   1HA   GLY  62          HA2       GLY  62  10.556  -8.588  -3.397
  489   2HA   GLY  62          HA3       GLY  62  12.320  -8.549  -3.275
  490    H    ASP  63           H        ASP  63  11.406  -7.506  -6.440
  491    HA   ASP  63           HA       ASP  63  12.168  -4.768  -5.775
  492   1HB   ASP  63          HB2       ASP  63  12.890  -6.157  -7.814
  493   2HB   ASP  63          HB3       ASP  63  11.263  -5.902  -8.449
  494    H    VAL  64           H        VAL  64  10.685  -3.090  -5.537
  495    HA   VAL  64           HA       VAL  64   8.006  -3.880  -4.945
  496    HB   VAL  64           HB       VAL  64   9.109  -1.051  -5.127
  497   1HG1  VAL  64          HG11      VAL  64   6.656  -1.147  -4.867
  498   2HG1  VAL  64          HG12      VAL  64   6.820  -2.275  -3.508
  499   3HG1  VAL  64          HG13      VAL  64   7.395  -0.600  -3.364
  500   1HG2  VAL  64          HG21      VAL  64   9.208  -3.024  -2.798
  501   2HG2  VAL  64          HG22      VAL  64  10.602  -2.317  -3.644
  502   3HG2  VAL  64          HG23      VAL  64   9.560  -1.286  -2.673
  503    H    LEU  65           H        LEU  65   6.102  -3.531  -6.019
  504    HA   LEU  65           HA       LEU  65   6.189  -2.656  -8.859
  505   1HB   LEU  65          HB2       LEU  65   5.002  -4.777  -8.455
  506   2HB   LEU  65          HB3       LEU  65   4.052  -4.041  -7.169
  507    HG   LEU  65           HG       LEU  65   2.945  -2.537  -8.808
  508   1HD1  LEU  65          HD11      LEU  65   4.533  -4.112 -10.875
  509   2HD1  LEU  65          HD12      LEU  65   3.190  -2.999 -11.234
  510   3HD1  LEU  65          HD13      LEU  65   4.680  -2.371 -10.538
  511   1HD2  LEU  65          HD21      LEU  65   1.935  -4.700  -8.213
  512   2HD2  LEU  65          HD22      LEU  65   1.567  -4.232  -9.881
  513   3HD2  LEU  65          HD23      LEU  65   2.797  -5.474  -9.563
  514    H    LEU  66           H        LEU  66   4.448  -2.088  -5.697
  515    HA   LEU  66           HA       LEU  66   4.052   0.718  -6.433
  516   1HB   LEU  66          HB2       LEU  66   1.624   0.667  -6.485
  517   2HB   LEU  66          HB3       LEU  66   2.308  -0.313  -7.753
  518    HG   LEU  66           HG       LEU  66   1.851  -2.340  -6.250
  519   1HD1  LEU  66          HD11      LEU  66  -0.124  -2.001  -4.683
  520   2HD1  LEU  66          HD12      LEU  66   1.377  -1.331  -4.077
  521   3HD1  LEU  66          HD13      LEU  66   0.168  -0.251  -4.801
  522   1HD2  LEU  66          HD21      LEU  66  -0.490  -2.479  -6.962
  523   2HD2  LEU  66          HD22      LEU  66  -0.489  -0.733  -7.310
  524   3HD2  LEU  66          HD23      LEU  66   0.549  -1.851  -8.236
  525    H    GLU  67           H        GLU  67   2.655   1.827  -4.776
  526    HA   GLU  67           HA       GLU  67   3.121   0.771  -2.039
  527   1HB   GLU  67          HB2       GLU  67   4.889   2.399  -2.754
  528   2HB   GLU  67          HB3       GLU  67   3.625   3.612  -3.017
  529   1HG   GLU  67          HG2       GLU  67   3.022   3.378  -0.572
  530   2HG   GLU  67          HG3       GLU  67   4.409   2.297  -0.387
  531    H    LEU  68           H        LEU  68   1.486   1.575  -0.547
  532    HA   LEU  68           HA       LEU  68  -1.034   2.359  -1.912
  533   1HB   LEU  68          HB2       LEU  68  -0.566   0.281   0.260
  534   2HB   LEU  68          HB3       LEU  68  -2.155   0.808  -0.276
  535    HG   LEU  68           HG       LEU  68  -0.115  -0.614  -2.028
  536   1HD1  LEU  68          HD11      LEU  68  -2.708  -1.616  -0.793
  537   2HD1  LEU  68          HD12      LEU  68  -1.643  -2.526  -1.882
  538   3HD1  LEU  68          HD13      LEU  68  -1.065  -2.053  -0.273
  539   1HD2  LEU  68          HD21      LEU  68  -2.037  -0.835  -3.612
  540   2HD2  LEU  68          HD22      LEU  68  -2.981   0.267  -2.594
  541   3HD2  LEU  68          HD23      LEU  68  -1.479   0.797  -3.393
  542    H    SER  69           H        SER  69  -2.716   3.116  -0.415
  543    HA   SER  69           HA       SER  69  -1.966   5.345   1.096
  544   1HB   SER  69          HB2       SER  69  -4.445   5.131   1.814
  545   2HB   SER  69          HB3       SER  69  -4.078   5.262   0.092
  546    HG   SER  69           HG       SER  69  -4.990   3.041   1.548
  547    H    ASN  70           H        ASN  70  -2.163   1.984   2.115
  548    HA   ASN  70           HA       ASN  70  -1.453   2.629   4.880
  549   1HB   ASN  70          HB2       ASN  70  -3.997   2.705   4.774
  550   2HB   ASN  70          HB3       ASN  70  -3.971   1.041   4.187
  551   1HD2  ASN  70          HD22      ASN  70  -5.272   0.431   6.081
  552   2HD2  ASN  70          HD21      ASN  70  -4.516   0.274   7.643
  553    H    SER  71           H        SER  71  -1.144   0.419   6.040
  554    HA   SER  71           HA       SER  71   0.000  -1.518   6.192
  555   1HB   SER  71          HB2       SER  71  -1.656  -2.296   3.766
  556   2HB   SER  71          HB3       SER  71  -0.979  -3.377   4.997
  557    HG   SER  71           HG       SER  71  -3.191  -2.898   5.379
  558    H    THR  72           H        THR  72   1.600   0.382   4.969
  559    HA   THR  72           HA       THR  72   2.771  -0.588   2.549
  560    HB   THR  72           HB       THR  72   4.394   1.383   3.159
  561    HG1  THR  72           HG1      THR  72   3.933   1.654   5.320
  562   1HG2  THR  72          HG21      THR  72   2.693   3.015   2.456
  563   2HG2  THR  72          HG22      THR  72   2.591   1.526   1.504
  564   3HG2  THR  72          HG23      THR  72   1.402   1.837   2.787
  565    H    GLN  73           H        GLN  73   2.890  -2.538   4.739
  566    HA   GLN  73           HA       GLN  73   5.553  -2.760   5.803
  567   1HB   GLN  73          HB2       GLN  73   3.432  -4.902   5.298
  568   2HB   GLN  73          HB3       GLN  73   4.905  -5.109   6.244
  569   1HG   GLN  73          HG2       GLN  73   4.133  -3.340   7.827
  570   2HG   GLN  73          HG3       GLN  73   2.636  -3.172   6.905
  571   1HE2  GLN  73          HE21      GLN  73   4.513  -5.388   9.000
  572   2HE2  GLN  73          HE22      GLN  73   3.171  -6.429   9.402
  Start of MODEL    5
    1   1H    THR   2          H1        THR   2   5.192  -0.215  -0.643
    2   2H    THR   2          H2        THR   2   6.045  -1.437  -1.351
    3   3H    THR   2          H3        THR   2   4.624  -0.916  -2.000
    4    HA   THR   2           HA       THR   2   4.967  -2.324   0.547
    5    HB   THR   2           HB       THR   2   2.431  -2.374   0.532
    6    HG1  THR   2           HG1      THR   2   1.391  -1.160  -0.835
    7   1HG2  THR   2          HG21      THR   2   3.717  -0.895   2.075
    8   2HG2  THR   2          HG22      THR   2   3.657   0.394   0.851
    9   3HG2  THR   2          HG23      THR   2   2.158  -0.206   1.581
   10    H    VAL   3           H        VAL   3   3.098  -2.526  -2.592
   11    HA   VAL   3           HA       VAL   3   3.306  -5.468  -2.449
   12    HB   VAL   3           HB       VAL   3   2.038  -3.685  -4.556
   13   1HG1  VAL   3          HG11      VAL   3   2.502  -5.931  -5.429
   14   2HG1  VAL   3          HG12      VAL   3   1.721  -6.664  -4.012
   15   3HG1  VAL   3          HG13      VAL   3   0.771  -5.720  -5.189
   16   1HG2  VAL   3          HG21      VAL   3   0.867  -3.319  -2.452
   17   2HG2  VAL   3          HG22      VAL   3  -0.137  -4.323  -3.498
   18   3HG2  VAL   3          HG23      VAL   3   0.766  -5.068  -2.159
   19    H    SER   4           H        SER   4   4.576  -6.660  -3.839
   20    HA   SER   4           HA       SER   4   6.627  -5.293  -5.486
   21   1HB   SER   4          HB2       SER   4   7.106  -7.354  -3.296
   22   2HB   SER   4          HB3       SER   4   8.346  -6.574  -4.287
   23    HG   SER   4           HG       SER   4   8.064  -5.635  -2.168
   24    H    ILE   5           H        ILE   5   7.937  -6.928  -6.661
   25    HA   ILE   5           HA       ILE   5   6.281  -9.196  -7.658
   26    HB   ILE   5           HB       ILE   5   8.484  -7.477  -8.806
   27   1HG1  ILE   5          HG12      ILE   5   5.796  -8.366  -9.955
   28   2HG1  ILE   5          HG13      ILE   5   5.913  -6.997  -8.861
   29   1HG2  ILE   5          HG21      ILE   5   7.531 -10.120 -10.003
   30   2HG2  ILE   5          HG22      ILE   5   8.540  -8.918 -10.819
   31   3HG2  ILE   5          HG23      ILE   5   9.173  -9.743  -9.409
   32   1HD1  ILE   5          HD11      ILE   5   7.440  -5.849 -10.399
   33   2HD1  ILE   5          HD12      ILE   5   7.239  -7.188 -11.572
   34   3HD1  ILE   5          HD13      ILE   5   5.855  -6.197 -11.111
   35    H    GLN   6           H        GLN   6   7.386 -11.270  -7.876
   36    HA   GLN   6           HA       GLN   6   9.456 -11.738  -5.794
   37   1HB   GLN   6          HB2       GLN   6   8.085 -13.698  -5.034
   38   2HB   GLN   6          HB3       GLN   6   7.517 -12.114  -4.587
   39   1HG   GLN   6          HG2       GLN   6   6.363 -13.499  -7.035
   40   2HG   GLN   6          HG3       GLN   6   5.825 -13.931  -5.419
   41   1HE2  GLN   6          HE22      GLN   6   4.950 -11.952  -7.968
   42   2HE2  GLN   6          HE21      GLN   6   4.187 -10.663  -7.058
   43    H    MET   7           H        MET   7   9.646 -11.655  -8.754
   44    HA   MET   7           HA       MET   7  11.204 -14.066  -9.020
   45   1HB   MET   7          HB2       MET   7  10.196 -14.719 -11.192
   46   2HB   MET   7          HB3       MET   7   9.133 -15.027  -9.828
   47   1HG   MET   7          HG2       MET   7   8.874 -12.556 -11.575
   48   2HG   MET   7          HG3       MET   7   8.115 -14.091 -11.965
   49   1HE   MET   7          HE1       MET   7   5.629 -13.568 -12.029
   50   2HE   MET   7          HE2       MET   7   5.961 -15.005 -11.030
   51   3HE   MET   7          HE3       MET   7   4.761 -13.805 -10.501
   52    H    ALA   8           H        ALA   8  12.715 -13.819 -10.802
   53    HA   ALA   8           HA       ALA   8  13.298 -11.028 -11.509
   54   1HB   ALA   8          HB1       ALA   8  14.656 -13.637 -12.291
   55   2HB   ALA   8          HB2       ALA   8  15.271 -11.996 -12.588
   56   3HB   ALA   8          HB3       ALA   8  15.116 -12.594 -10.920
   57    H    GLY   9           H        GLY   9  12.860 -10.044 -13.460
   58   1HA   GLY   9          HA2       GLY   9  12.628 -11.375 -15.925
   59   2HA   GLY   9          HA3       GLY   9  10.999 -11.278 -15.263
   60    H    ASN  10           H        ASN  10  10.320  -9.861 -16.920
   61    HA   ASN  10           HA       ASN  10  11.079  -6.998 -16.535
   62   1HB   ASN  10          HB2       ASN  10  11.126  -8.585 -19.129
   63   2HB   ASN  10          HB3       ASN  10  10.544  -6.927 -19.135
   64   1HD2  ASN  10          HD22      ASN  10  13.279  -7.960 -17.004
   65   2HD2  ASN  10          HD21      ASN  10  14.479  -7.097 -17.942
   66    H    LEU  11           H        LEU  11   9.330  -5.708 -16.577
   67    HA   LEU  11           HA       LEU  11   6.773  -6.970 -16.151
   68   1HB   LEU  11          HB2       LEU  11   7.910  -4.194 -16.195
   69   2HB   LEU  11          HB3       LEU  11   6.188  -4.341 -16.470
   70    HG   LEU  11           HG       LEU  11   7.561  -5.712 -14.125
   71   1HD1  LEU  11          HD11      LEU  11   6.237  -2.980 -14.217
   72   2HD1  LEU  11          HD12      LEU  11   6.791  -3.821 -12.746
   73   3HD1  LEU  11          HD13      LEU  11   7.963  -3.321 -13.981
   74   1HD2  LEU  11          HD21      LEU  11   5.167  -5.527 -13.190
   75   2HD2  LEU  11          HD22      LEU  11   4.665  -5.130 -14.844
   76   3HD2  LEU  11          HD23      LEU  11   5.407  -6.697 -14.485
   77    H    TRP  12           H        TRP  12   5.357  -7.629 -17.625
   78    HA   TRP  12           HA       TRP  12   5.739  -7.102 -20.468
   79   1HB   TRP  12          HB2       TRP  12   4.846  -9.253 -19.376
   80   2HB   TRP  12          HB3       TRP  12   3.361  -8.378 -19.059
   81    HD1  TRP  12           HD1      TRP  12   5.594  -9.281 -22.039
   82    HE1  TRP  12           HE1      TRP  12   4.172  -9.821 -24.090
   83    HE3  TRP  12           HE3      TRP  12   0.986  -8.290 -20.071
   84    HZ2  TRP  12           HZ2      TRP  12   1.348  -9.868 -24.777
   85    HZ3  TRP  12           HZ3      TRP  12  -1.061  -8.644 -21.422
   86    HH2  TRP  12           HH2      TRP  12  -0.892  -9.424 -23.777
   87    H    LYS  13           H        LYS  13   3.221  -6.368 -17.984
   88    HA   LYS  13           HA       LYS  13   2.722  -3.713 -19.124
   89   1HB   LYS  13          HB2       LYS  13   0.620  -5.924 -18.958
   90   2HB   LYS  13          HB3       LYS  13   0.211  -4.208 -19.054
   91   1HG   LYS  13          HG2       LYS  13   1.474  -4.082 -21.235
   92   2HG   LYS  13          HG3       LYS  13   1.672  -5.844 -21.160
   93   1HD   LYS  13          HD2       LYS  13  -0.832  -6.074 -21.054
   94   2HD   LYS  13          HD3       LYS  13  -0.959  -4.315 -21.282
   95   1HE   LYS  13          HE2       LYS  13   0.330  -4.532 -23.421
   96   2HE   LYS  13          HE3       LYS  13   0.386  -6.285 -23.193
   97   1HZ   LYS  13          HZ1       LYS  13  -2.043  -6.308 -23.338
   98   2HZ   LYS  13          HZ2       LYS  13  -2.085  -4.687 -23.553
   99   3HZ   LYS  13          HZ3       LYS  13  -1.401  -5.642 -24.678
  100    H    VAL  14           H        VAL  14   1.342  -2.460 -17.593
  101    HA   VAL  14           HA       VAL  14   0.990  -3.545 -14.872
  102    HB   VAL  14           HB       VAL  14   2.292  -0.863 -15.540
  103   1HG1  VAL  14          HG11      VAL  14   1.501  -2.059 -12.840
  104   2HG1  VAL  14          HG12      VAL  14   2.487  -0.599 -13.062
  105   3HG1  VAL  14          HG13      VAL  14   0.812  -0.603 -13.601
  106   1HG2  VAL  14          HG21      VAL  14   3.936  -2.700 -15.666
  107   2HG2  VAL  14          HG22      VAL  14   4.217  -1.713 -14.231
  108   3HG2  VAL  14          HG23      VAL  14   3.410  -3.288 -14.070
  109    H    HIS  15           H        HIS  15  -0.986  -2.782 -14.029
  110    HA   HIS  15           HA       HIS  15  -2.689  -1.338 -16.017
  111   1HB   HIS  15          HB2       HIS  15  -3.663  -3.291 -13.938
  112   2HB   HIS  15          HB3       HIS  15  -4.445  -2.789 -15.434
  113    HD1  HIS  15           HD1      HIS  15  -2.266  -3.571 -17.593
  114    HD2  HIS  15           HD2      HIS  15  -3.126  -5.769 -14.113
  115    HE1  HIS  15           HE1      HIS  15  -1.329  -5.923 -17.963
  116    H    VAL  16           H        VAL  16  -1.557  -1.274 -12.698
  117    HA   VAL  16           HA       VAL  16  -3.709   0.393 -11.681
  118    HB   VAL  16           HB       VAL  16  -2.134   0.771  -9.790
  119   1HG1  VAL  16          HG11      VAL  16  -2.593  -2.143 -10.517
  120   2HG1  VAL  16          HG12      VAL  16  -2.265  -1.488  -8.891
  121   3HG1  VAL  16          HG13      VAL  16  -3.753  -1.051  -9.738
  122   1HG2  VAL  16          HG21      VAL  16  -0.043  -0.279  -9.588
  123   2HG2  VAL  16          HG22      VAL  16  -0.270  -1.280 -11.040
  124   3HG2  VAL  16          HG23      VAL  16   0.005   0.472 -11.171
  125    H    LYS  17           H        LYS  17  -3.284   2.543 -10.794
  126    HA   LYS  17           HA       LYS  17  -1.146   4.137 -11.891
  127   1HB   LYS  17          HB2       LYS  17  -2.622   5.951 -12.678
  128   2HB   LYS  17          HB3       LYS  17  -2.803   4.498 -13.658
  129   1HG   LYS  17          HG2       LYS  17  -4.913   3.942 -12.486
  130   2HG   LYS  17          HG3       LYS  17  -4.731   5.377 -11.455
  131   1HD   LYS  17          HD2       LYS  17  -4.837   6.831 -13.459
  132   2HD   LYS  17          HD3       LYS  17  -5.025   5.393 -14.489
  133   1HE   LYS  17          HE2       LYS  17  -7.109   4.797 -13.267
  134   2HE   LYS  17          HE3       LYS  17  -6.921   6.227 -12.243
  135   1HZ   LYS  17          HZ1       LYS  17  -7.167   7.600 -14.231
  136   2HZ   LYS  17          HZ2       LYS  17  -7.340   6.278 -15.178
  137   3HZ   LYS  17          HZ3       LYS  17  -8.462   6.630 -14.053
  138    H    ALA  18           H        ALA  18  -0.934   6.078 -10.472
  139    HA   ALA  18           HA       ALA  18  -1.691   5.596  -7.759
  140   1HB   ALA  18          HB1       ALA  18   0.260   6.960  -8.400
  141   2HB   ALA  18          HB2       ALA  18  -0.822   8.194  -9.095
  142   3HB   ALA  18          HB3       ALA  18  -0.852   7.868  -7.348
  143    H    GLY  19           H        GLY  19  -3.548   6.080  -6.675
  144   1HA   GLY  19          HA2       GLY  19  -5.525   7.274  -6.219
  145   2HA   GLY  19          HA3       GLY  19  -5.605   7.843  -7.892
  146    H    ASP  20           H        ASP  20  -4.846   4.718  -8.467
  147    HA   ASP  20           HA       ASP  20  -7.585   3.798  -8.835
  148   1HB   ASP  20          HB2       ASP  20  -5.623   3.201 -10.313
  149   2HB   ASP  20          HB3       ASP  20  -4.986   2.222  -8.982
  150    H    GLN  21           H        GLN  21  -8.128   1.526  -7.907
  151    HA   GLN  21           HA       GLN  21  -7.242   1.259  -5.071
  152   1HB   GLN  21          HB2       GLN  21  -9.422   2.343  -5.102
  153   2HB   GLN  21          HB3       GLN  21 -10.079   1.124  -6.180
  154   1HG   GLN  21          HG2       GLN  21  -8.898   0.198  -3.551
  155   2HG   GLN  21          HG3       GLN  21 -10.415   1.081  -3.498
  156   1HE2  GLN  21          HE22      GLN  21  -9.288  -2.029  -3.481
  157   2HE2  GLN  21          HE21      GLN  21 -10.661  -2.808  -4.234
  158    H    ILE  22           H        ILE  22  -6.795  -0.798  -4.466
  159    HA   ILE  22           HA       ILE  22  -7.466  -2.988  -6.339
  160    HB   ILE  22           HB       ILE  22  -5.321  -3.954  -6.195
  161   1HG1  ILE  22          HG12      ILE  22  -4.517  -1.713  -4.294
  162   2HG1  ILE  22          HG13      ILE  22  -4.661  -3.435  -3.924
  163   1HG2  ILE  22          HG21      ILE  22  -5.685  -2.153  -7.912
  164   2HG2  ILE  22          HG22      ILE  22  -4.847  -1.017  -6.840
  165   3HG2  ILE  22          HG23      ILE  22  -3.995  -2.419  -7.501
  166   1HD1  ILE  22          HD11      ILE  22  -2.828  -3.818  -5.707
  167   2HD1  ILE  22          HD12      ILE  22  -2.571  -2.064  -5.634
  168   3HD1  ILE  22          HD13      ILE  22  -2.344  -3.069  -4.184
  169    H    GLU  23           H        GLU  23  -7.410  -5.092  -5.317
  170    HA   GLU  23           HA       GLU  23  -7.925  -5.105  -2.416
  171   1HB   GLU  23          HB2       GLU  23 -10.083  -4.847  -3.587
  172   2HB   GLU  23          HB3       GLU  23  -9.714  -6.254  -4.601
  173   1HG   GLU  23          HG2       GLU  23  -9.702  -7.697  -2.580
  174   2HG   GLU  23          HG3       GLU  23  -9.994  -6.286  -1.561
  175    H    LYS  24           H        LYS  24  -7.148  -7.087  -1.512
  176    HA   LYS  24           HA       LYS  24  -5.020  -8.354  -2.683
  177   1HB   LYS  24          HB2       LYS  24  -5.672  -8.483  -0.309
  178   2HB   LYS  24          HB3       LYS  24  -6.994  -9.583  -0.711
  179   1HG   LYS  24          HG2       LYS  24  -5.462 -11.314  -1.418
  180   2HG   LYS  24          HG3       LYS  24  -4.089 -10.191  -1.384
  181   1HD   LYS  24          HD2       LYS  24  -4.304  -9.970   1.072
  182   2HD   LYS  24          HD3       LYS  24  -5.731 -11.009   1.058
  183   1HE   LYS  24          HE2       LYS  24  -3.754 -12.218   1.828
  184   2HE   LYS  24          HE3       LYS  24  -4.402 -12.936   0.351
  185   1HZ   LYS  24          HZ1       LYS  24  -2.160 -11.004   0.288
  186   2HZ   LYS  24          HZ2       LYS  24  -1.915 -12.623   0.476
  187   3HZ   LYS  24          HZ3       LYS  24  -2.617 -12.053  -0.880
  188    H    GLY  25           H        GLY  25  -4.723  -9.640  -4.421
  189   1HA   GLY  25          HA2       GLY  25  -5.061 -11.572  -5.685
  190   2HA   GLY  25          HA3       GLY  25  -6.738 -11.676  -5.149
  191    H    GLN  26           H        GLN  26  -6.670  -8.494  -5.961
  192    HA   GLN  26           HA       GLN  26  -7.807  -8.795  -8.585
  193   1HB   GLN  26          HB2       GLN  26  -8.270  -6.969  -6.908
  194   2HB   GLN  26          HB3       GLN  26  -6.641  -6.339  -7.195
  195   1HG   GLN  26          HG2       GLN  26  -7.257  -5.932  -9.579
  196   2HG   GLN  26          HG3       GLN  26  -8.885  -6.537  -9.254
  197   1HE2  GLN  26          HE22      GLN  26  -7.135  -3.704  -9.541
  198   2HE2  GLN  26          HE21      GLN  26  -8.064  -2.659  -8.478
  199    H    GLU  27           H        GLU  27  -6.784  -8.402 -10.611
  200    HA   GLU  27           HA       GLU  27  -3.939  -8.924 -10.778
  201   1HB   GLU  27          HB2       GLU  27  -5.699  -9.650 -12.428
  202   2HB   GLU  27          HB3       GLU  27  -5.864  -7.963 -12.934
  203   1HG   GLU  27          HG2       GLU  27  -3.483  -7.956 -13.644
  204   2HG   GLU  27          HG3       GLU  27  -3.287  -9.600 -13.040
  205    H    VAL  28           H        VAL  28  -2.284  -7.501 -11.276
  206    HA   VAL  28           HA       VAL  28  -2.851  -4.570 -11.102
  207    HB   VAL  28           HB       VAL  28  -1.056  -6.376  -9.440
  208   1HG1  VAL  28          HG11      VAL  28  -0.018  -4.452  -8.392
  209   2HG1  VAL  28          HG12      VAL  28   0.372  -4.477 -10.113
  210   3HG1  VAL  28          HG13      VAL  28  -0.847  -3.347  -9.513
  211   1HG2  VAL  28          HG21      VAL  28  -3.333  -5.975  -8.578
  212   2HG2  VAL  28          HG22      VAL  28  -2.135  -5.167  -7.560
  213   3HG2  VAL  28          HG23      VAL  28  -3.099  -4.228  -8.718
  214    H    ALA  29           H        ALA  29  -0.625  -7.207 -12.187
  215    HA   ALA  29           HA       ALA  29   0.199  -5.597 -14.455
  216   1HB   ALA  29          HB1       ALA  29   2.217  -6.343 -12.265
  217   2HB   ALA  29          HB2       ALA  29   2.633  -5.733 -13.867
  218   3HB   ALA  29          HB3       ALA  29   1.748  -4.703 -12.740
  219    H    ILE  30           H        ILE  30   2.083  -6.985 -15.555
  220    HA   ILE  30           HA       ILE  30   1.694  -9.887 -15.149
  221    HB   ILE  30           HB       ILE  30   1.338  -8.407 -17.791
  222   1HG1  ILE  30          HG12      ILE  30  -0.505 -10.373 -16.350
  223   2HG1  ILE  30          HG13      ILE  30  -0.701  -8.628 -16.347
  224   1HG2  ILE  30          HG21      ILE  30   1.245 -10.612 -18.901
  225   2HG2  ILE  30          HG22      ILE  30   2.794 -10.435 -18.114
  226   3HG2  ILE  30          HG23      ILE  30   1.538 -11.428 -17.349
  227   1HD1  ILE  30          HD11      ILE  30  -2.245  -9.551 -17.914
  228   2HD1  ILE  30          HD12      ILE  30  -1.021  -8.629 -18.799
  229   3HD1  ILE  30          HD13      ILE  30  -0.970 -10.413 -18.782
  230    H    LEU  31           H        LEU  31   3.603 -10.943 -15.439
  231    HA   LEU  31           HA       LEU  31   6.075  -9.326 -15.898
  232   1HB   LEU  31          HB2       LEU  31   5.809  -9.976 -13.631
  233   2HB   LEU  31          HB3       LEU  31   5.326 -11.629 -14.040
  234    HG   LEU  31           HG       LEU  31   7.519 -11.252 -12.946
  235   1HD1  LEU  31          HD11      LEU  31   8.734 -12.954 -14.139
  236   2HD1  LEU  31          HD12      LEU  31   7.014 -13.361 -14.066
  237   3HD1  LEU  31          HD13      LEU  31   7.713 -12.752 -15.575
  238   1HD2  LEU  31          HD21      LEU  31   9.388 -10.398 -14.017
  239   2HD2  LEU  31          HD22      LEU  31   8.628 -10.429 -15.624
  240   3HD2  LEU  31          HD23      LEU  31   8.106  -9.239 -14.417
  241    H    GLU  32           H        GLU  32   7.425 -10.072 -17.501
  242    HA   GLU  32           HA       GLU  32   6.757 -12.615 -18.890
  243   1HB   GLU  32          HB2       GLU  32   6.692 -10.563 -20.286
  244   2HB   GLU  32          HB3       GLU  32   8.348 -10.177 -19.804
  245   1HG   GLU  32          HG2       GLU  32   9.080 -12.381 -20.820
  246   2HG   GLU  32          HG3       GLU  32   7.427 -12.618 -21.383
  247    H    SER  33           H        SER  33   8.157 -14.264 -18.472
  248    HA   SER  33           HA       SER  33  10.964 -13.932 -18.302
  249   1HB   SER  33          HB2       SER  33  10.210 -13.169 -15.945
  250   2HB   SER  33          HB3       SER  33   9.746 -14.844 -15.660
  251    HG   SER  33           HG       SER  33  11.929 -14.077 -15.057
  252    H    MET  34           H        MET  34  11.953 -16.158 -17.771
  253    HA   MET  34           HA       MET  34  12.227 -18.141 -18.838
  254   1HB   MET  34          HB2       MET  34  11.106 -19.987 -17.701
  255   2HB   MET  34          HB3       MET  34  11.823 -18.815 -16.618
  256   1HG   MET  34          HG2       MET  34   8.859 -18.717 -17.244
  257   2HG   MET  34          HG3       MET  34   9.517 -19.852 -16.071
  258   1HE   MET  34          HE1       MET  34   7.263 -18.081 -15.268
  259   2HE   MET  34          HE2       MET  34   8.074 -18.931 -13.938
  260   3HE   MET  34          HE3       MET  34   7.739 -17.186 -13.808
  261    H    LYS  35           H        LYS  35  11.023 -16.641 -20.651
  262    HA   LYS  35           HA       LYS  35   9.834 -16.576 -22.560
  263   1HB   LYS  35          HB2       LYS  35  10.132 -19.603 -22.511
  264   2HB   LYS  35          HB3       LYS  35   9.821 -18.616 -23.926
  265   1HG   LYS  35          HG2       LYS  35  12.365 -18.620 -22.250
  266   2HG   LYS  35          HG3       LYS  35  12.152 -19.337 -23.836
  267   1HD   LYS  35          HD2       LYS  35  12.052 -16.351 -23.214
  268   2HD   LYS  35          HD3       LYS  35  13.394 -17.231 -23.949
  269   1HE   LYS  35          HE2       LYS  35  11.933 -17.867 -25.868
  270   2HE   LYS  35          HE3       LYS  35  10.606 -16.938 -25.159
  271   1HZ   LYS  35          HZ1       LYS  35  11.779 -15.663 -26.832
  272   2HZ   LYS  35          HZ2       LYS  35  11.973 -14.942 -25.387
  273   3HZ   LYS  35          HZ3       LYS  35  13.196 -15.804 -26.045
  274    H    MET  36           H        MET  36   8.199 -16.613 -20.159
  275    HA   MET  36           HA       MET  36   5.606 -17.368 -21.365
  276   1HB   MET  36          HB2       MET  36   6.640 -18.049 -18.569
  277   2HB   MET  36          HB3       MET  36   4.931 -18.078 -18.995
  278   1HG   MET  36          HG2       MET  36   7.059 -19.783 -20.328
  279   2HG   MET  36          HG3       MET  36   5.993 -20.308 -19.030
  280   1HE   MET  36          HE1       MET  36   4.730 -22.306 -22.168
  281   2HE   MET  36          HE2       MET  36   6.403 -21.808 -21.834
  282   3HE   MET  36          HE3       MET  36   5.375 -22.417 -20.516
  283    H    GLU  37           H        GLU  37   3.839 -16.281 -20.022
  284    HA   GLU  37           HA       GLU  37   4.721 -13.726 -18.803
  285   1HB   GLU  37          HB2       GLU  37   2.194 -14.144 -20.455
  286   2HB   GLU  37          HB3       GLU  37   2.627 -12.712 -19.534
  287   1HG   GLU  37          HG2       GLU  37   3.189 -12.102 -21.691
  288   2HG   GLU  37          HG3       GLU  37   4.738 -12.542 -20.986
  289    H    ILE  38           H        ILE  38   3.761 -13.347 -16.822
  290    HA   ILE  38           HA       ILE  38   1.993 -15.454 -15.697
  291    HB   ILE  38           HB       ILE  38   4.502 -14.299 -14.389
  292   1HG1  ILE  38          HG12      ILE  38   5.131 -16.910 -14.593
  293   2HG1  ILE  38          HG13      ILE  38   4.126 -16.820 -16.024
  294   1HG2  ILE  38          HG21      ILE  38   2.731 -14.996 -12.809
  295   2HG2  ILE  38          HG22      ILE  38   2.655 -16.594 -13.583
  296   3HG2  ILE  38          HG23      ILE  38   4.117 -16.076 -12.718
  297   1HD1  ILE  38          HD11      ILE  38   5.676 -14.912 -16.823
  298   2HD1  ILE  38          HD12      ILE  38   6.672 -15.259 -15.402
  299   3HD1  ILE  38          HD13      ILE  38   6.440 -16.490 -16.652
  300    HA   PRO  39           HA       PRO  39  -0.113 -11.631 -14.427
  301   1HB   PRO  39          HB2       PRO  39  -1.330 -13.435 -12.348
  302   2HB   PRO  39          HB3       PRO  39  -2.136 -12.282 -13.451
  303   1HG   PRO  39          HG2       PRO  39  -2.206 -14.968 -13.890
  304   2HG   PRO  39          HG3       PRO  39  -2.031 -13.813 -15.254
  305   1HD   PRO  39          HD2       PRO  39   0.108 -15.463 -13.900
  306   2HD   PRO  39          HD3       PRO  39  -0.128 -15.103 -15.638
  307    H    ILE  40           H        ILE  40   0.057 -10.156 -12.725
  308    HA   ILE  40           HA       ILE  40   1.350 -10.991 -10.184
  309    HB   ILE  40           HB       ILE  40   1.789  -8.420 -11.735
  310   1HG1  ILE  40          HG12      ILE  40   3.115 -10.228 -12.735
  311   2HG1  ILE  40          HG13      ILE  40   4.095  -8.967 -12.016
  312   1HG2  ILE  40          HG21      ILE  40   3.451  -7.906  -9.915
  313   2HG2  ILE  40          HG22      ILE  40   1.764  -7.880  -9.398
  314   3HG2  ILE  40          HG23      ILE  40   2.793  -9.269  -8.993
  315   1HD1  ILE  40          HD11      ILE  40   5.020 -11.194 -11.568
  316   2HD1  ILE  40          HD12      ILE  40   4.577 -10.400 -10.056
  317   3HD1  ILE  40          HD13      ILE  40   3.538 -11.675 -10.725
  318    H    VAL  41           H        VAL  41   0.170 -10.337  -8.469
  319    HA   VAL  41           HA       VAL  41  -2.347  -8.839  -8.970
  320    HB   VAL  41           HB       VAL  41  -3.275 -10.491  -7.215
  321   1HG1  VAL  41          HG11      VAL  41  -3.757 -12.247  -8.910
  322   2HG1  VAL  41          HG12      VAL  41  -4.063 -10.615  -9.470
  323   3HG1  VAL  41          HG13      VAL  41  -2.596 -11.471 -10.016
  324   1HG2  VAL  41          HG21      VAL  41  -2.287 -12.676  -7.032
  325   2HG2  VAL  41          HG22      VAL  41  -0.998 -12.276  -8.173
  326   3HG2  VAL  41          HG23      VAL  41  -1.051 -11.498  -6.567
  327    H    ALA  42           H        ALA  42  -3.304  -7.930  -7.066
  328    HA   ALA  42           HA       ALA  42  -1.571  -6.429  -5.391
  329   1HB   ALA  42          HB1       ALA  42  -3.686  -5.859  -4.233
  330   2HB   ALA  42          HB2       ALA  42  -3.925  -5.819  -5.998
  331   3HB   ALA  42          HB3       ALA  42  -4.498  -7.200  -5.060
  332    H    ASP  43           H        ASP  43  -0.305  -7.318  -3.831
  333    HA   ASP  43           HA       ASP  43  -0.782  -9.828  -2.537
  334   1HB   ASP  43          HB2       ASP  43   1.452  -8.877  -2.700
  335   2HB   ASP  43          HB3       ASP  43   0.950  -7.436  -1.811
  336    H    ARG  44           H        ARG  44  -1.948  -6.566  -1.912
  337    HA   ARG  44           HA       ARG  44  -3.739  -7.463   0.168
  338   1HB   ARG  44          HB2       ARG  44  -2.946  -5.888   1.875
  339   2HB   ARG  44          HB3       ARG  44  -1.767  -7.140   1.523
  340   1HG   ARG  44          HG2       ARG  44  -0.648  -5.354  -0.060
  341   2HG   ARG  44          HG3       ARG  44  -1.707  -4.201   0.764
  342   1HD   ARG  44          HD2       ARG  44   0.432  -4.195   1.866
  343   2HD   ARG  44          HD3       ARG  44  -0.741  -4.982   2.946
  344    HE   ARG  44           HE       ARG  44   0.679  -6.876   1.255
  345   1HH1  ARG  44          HH21      ARG  44   0.814  -5.280   4.455
  346   2HH1  ARG  44          HH22      ARG  44   2.263  -6.107   4.904
  347   1HH2  ARG  44          HH11      ARG  44   2.263  -8.100   1.943
  348   2HH2  ARG  44          HH12      ARG  44   3.067  -7.887   3.489
  349    H    SER  45           H        SER  45  -5.237  -5.623   0.763
  350    HA   SER  45           HA       SER  45  -5.962  -4.223  -1.679
  351   1HB   SER  45          HB2       SER  45  -7.234  -4.127   1.087
  352   2HB   SER  45          HB3       SER  45  -8.007  -3.765  -0.464
  353    HG   SER  45           HG       SER  45  -8.470  -5.899   0.370
  354    H    GLY  46           H        GLY  46  -6.400  -1.898  -1.793
  355   1HA   GLY  46          HA2       GLY  46  -6.327  -0.022   0.153
  356   2HA   GLY  46          HA3       GLY  46  -4.610  -0.175  -0.243
  357    H    ILE  47           H        ILE  47  -5.342   2.233  -0.717
  358    HA   ILE  47           HA       ILE  47  -6.180   2.565  -3.551
  359    HB   ILE  47           HB       ILE  47  -5.381   4.603  -1.421
  360   1HG1  ILE  47          HG12      ILE  47  -7.539   3.655  -0.826
  361   2HG1  ILE  47          HG13      ILE  47  -7.731   5.307  -1.386
  362   1HG2  ILE  47          HG21      ILE  47  -6.388   5.042  -4.257
  363   2HG2  ILE  47          HG22      ILE  47  -6.279   6.304  -3.013
  364   3HG2  ILE  47          HG23      ILE  47  -4.817   5.503  -3.580
  365   1HD1  ILE  47          HD11      ILE  47  -8.500   4.443  -3.618
  366   2HD1  ILE  47          HD12      ILE  47  -8.355   2.787  -2.980
  367   3HD1  ILE  47          HD13      ILE  47  -9.523   3.911  -2.269
  368    H    VAL  48           H        VAL  48  -4.620   2.940  -5.078
  369    HA   VAL  48           HA       VAL  48  -1.828   2.338  -4.526
  370    HB   VAL  48           HB       VAL  48  -3.166   3.420  -7.019
  371   1HG1  VAL  48          HG11      VAL  48  -0.538   1.893  -6.624
  372   2HG1  VAL  48          HG12      VAL  48  -1.226   2.445  -8.169
  373   3HG1  VAL  48          HG13      VAL  48  -0.666   3.628  -6.979
  374   1HG2  VAL  48          HG21      VAL  48  -3.155   1.059  -7.793
  375   2HG2  VAL  48          HG22      VAL  48  -2.616   0.532  -6.180
  376   3HG2  VAL  48          HG23      VAL  48  -4.214   1.274  -6.407
  377    H    LYS  49           H        LYS  49  -0.867   3.776  -3.201
  378    HA   LYS  49           HA       LYS  49  -1.378   6.640  -3.306
  379   1HB   LYS  49          HB2       LYS  49  -0.762   5.479  -1.197
  380   2HB   LYS  49          HB3       LYS  49   0.773   4.979  -1.904
  381   1HG   LYS  49          HG2       LYS  49   1.117   6.823  -0.399
  382   2HG   LYS  49          HG3       LYS  49   1.509   7.331  -2.042
  383   1HD   LYS  49          HD2       LYS  49  -0.682   8.485  -2.221
  384   2HD   LYS  49          HD3       LYS  49  -1.118   7.953  -0.593
  385   1HE   LYS  49          HE2       LYS  49   1.272   9.726  -1.298
  386   2HE   LYS  49          HE3       LYS  49  -0.299  10.329  -0.770
  387   1HZ   LYS  49          HZ1       LYS  49   1.231  10.220   1.067
  388   2HZ   LYS  49          HZ2       LYS  49   0.021   9.167   1.335
  389   3HZ   LYS  49          HZ3       LYS  49   1.494   8.628   0.863
  390    H    GLU  50           H        GLU  50   1.105   4.314  -4.539
  391    HA   GLU  50           HA       GLU  50   1.766   6.234  -6.629
  392   1HB   GLU  50          HB2       GLU  50   3.220   6.778  -4.507
  393   2HB   GLU  50          HB3       GLU  50   4.095   5.298  -4.905
  394   1HG   GLU  50          HG2       GLU  50   4.723   6.216  -7.085
  395   2HG   GLU  50          HG3       GLU  50   3.654   7.602  -6.856
  396    H    VAL  51           H        VAL  51   3.417   5.158  -8.182
  397    HA   VAL  51           HA       VAL  51   3.346   2.193  -8.047
  398    HB   VAL  51           HB       VAL  51   3.006   3.803 -10.613
  399   1HG1  VAL  51          HG11      VAL  51   2.633   0.825  -9.999
  400   2HG1  VAL  51          HG12      VAL  51   2.340   1.603 -11.564
  401   3HG1  VAL  51          HG13      VAL  51   3.979   1.537 -10.915
  402   1HG2  VAL  51          HG21      VAL  51   0.873   2.369  -8.992
  403   2HG2  VAL  51          HG22      VAL  51   0.944   4.124  -9.306
  404   3HG2  VAL  51          HG23      VAL  51   0.648   3.001 -10.638
  405    H    LYS  52           H        LYS  52   5.373   1.319  -8.459
  406    HA   LYS  52           HA       LYS  52   7.582   3.325  -8.511
  407   1HB   LYS  52          HB2       LYS  52   7.465   0.451  -7.488
  408   2HB   LYS  52          HB3       LYS  52   8.867   1.507  -7.386
  409   1HG   LYS  52          HG2       LYS  52   6.214   1.933  -5.946
  410   2HG   LYS  52          HG3       LYS  52   7.733   1.364  -5.254
  411   1HD   LYS  52          HD2       LYS  52   8.791   3.566  -5.966
  412   2HD   LYS  52          HD3       LYS  52   7.153   4.141  -6.360
  413   1HE   LYS  52          HE2       LYS  52   6.432   3.718  -4.040
  414   2HE   LYS  52          HE3       LYS  52   8.030   3.070  -3.638
  415   1HZ   LYS  52          HZ1       LYS  52   8.952   5.276  -4.116
  416   2HZ   LYS  52          HZ2       LYS  52   7.453   5.864  -4.456
  417   3HZ   LYS  52          HZ3       LYS  52   7.824   5.366  -2.941
  418    H    LYS  53           H        LYS  53   6.110   1.451 -10.786
  419    HA   LYS  53           HA       LYS  53   8.599   0.858 -12.276
  420   1HB   LYS  53          HB2       LYS  53   6.399  -1.132 -11.544
  421   2HB   LYS  53          HB3       LYS  53   7.612  -1.419 -12.775
  422   1HG   LYS  53          HG2       LYS  53   8.300  -0.992  -9.848
  423   2HG   LYS  53          HG3       LYS  53   8.090  -2.566 -10.625
  424   1HD   LYS  53          HD2       LYS  53   9.863  -2.030 -12.253
  425   2HD   LYS  53          HD3       LYS  53  10.127  -0.461 -11.466
  426   1HE   LYS  53          HE2       LYS  53  10.859  -1.546  -9.411
  427   2HE   LYS  53          HE3       LYS  53  10.468  -3.135 -10.050
  428   1HZ   LYS  53          HZ1       LYS  53  12.559  -1.315 -11.089
  429   2HZ   LYS  53          HZ2       LYS  53  12.757  -2.783 -10.332
  430   3HZ   LYS  53          HZ3       LYS  53  12.124  -2.706 -11.839
  431    H    LYS  54           H        LYS  54   7.800  -0.199 -14.495
  432    HA   LYS  54           HA       LYS  54   5.352   0.982 -15.526
  433   1HB   LYS  54          HB2       LYS  54   6.477   2.193 -17.336
  434   2HB   LYS  54          HB3       LYS  54   6.882   2.888 -15.772
  435   1HG   LYS  54          HG2       LYS  54   9.082   1.809 -15.787
  436   2HG   LYS  54          HG3       LYS  54   8.709   0.952 -17.283
  437   1HD   LYS  54          HD2       LYS  54   8.847   3.984 -17.035
  438   2HD   LYS  54          HD3       LYS  54  10.178   2.945 -17.571
  439   1HE   LYS  54          HE2       LYS  54   8.752   2.087 -19.435
  440   2HE   LYS  54          HE3       LYS  54   7.463   3.192 -18.943
  441   1HZ   LYS  54          HZ1       LYS  54   8.960   5.045 -19.406
  442   2HZ   LYS  54          HZ2       LYS  54  10.152   4.023 -19.867
  443   3HZ   LYS  54          HZ3       LYS  54   8.777   4.120 -20.734
  444    H    GLU  55           H        GLU  55   5.046   0.269 -17.790
  445    HA   GLU  55           HA       GLU  55   5.561  -2.474 -18.242
  446   1HB   GLU  55          HB2       GLU  55   5.075  -0.383 -20.412
  447   2HB   GLU  55          HB3       GLU  55   4.733  -2.107 -20.459
  448   1HG   GLU  55          HG2       GLU  55   2.622  -1.391 -20.054
  449   2HG   GLU  55          HG3       GLU  55   3.146  -1.502 -18.379
  450    H    GLY  56           H        GLY  56   7.247  -3.558 -19.234
  451   1HA   GLY  56          HA2       GLY  56   9.078  -3.922 -20.523
  452   2HA   GLY  56          HA3       GLY  56   9.214  -2.195 -20.874
  453    H    ASP  57           H        ASP  57   9.053  -2.147 -17.541
  454    HA   ASP  57           HA       ASP  57  11.922  -1.762 -17.400
  455   1HB   ASP  57          HB2       ASP  57  10.262  -0.390 -16.117
  456   2HB   ASP  57          HB3       ASP  57   9.952  -1.797 -15.091
  457    H    PHE  58           H        PHE  58  13.341  -2.813 -15.921
  458    HA   PHE  58           HA       PHE  58  13.138  -5.733 -15.831
  459   1HB   PHE  58          HB2       PHE  58  15.295  -4.624 -16.198
  460   2HB   PHE  58          HB3       PHE  58  15.106  -3.697 -14.719
  461    HD1  PHE  58           HD1      PHE  58  15.607  -4.652 -12.535
  462    HD2  PHE  58           HD2      PHE  58  15.833  -7.069 -16.103
  463    HE1  PHE  58           HE1      PHE  58  16.883  -6.376 -11.291
  464    HE2  PHE  58           HE2      PHE  58  17.100  -8.793 -14.851
  465    HZ   PHE  58           HZ       PHE  58  17.658  -8.436 -12.455
  466    H    VAL  59           H        VAL  59  12.811  -6.977 -13.944
  467    HA   VAL  59           HA       VAL  59  12.322  -5.605 -11.399
  468    HB   VAL  59           HB       VAL  59  10.239  -6.966 -11.053
  469   1HG1  VAL  59          HG11      VAL  59  10.186  -4.561 -11.449
  470   2HG1  VAL  59          HG12      VAL  59  10.053  -4.821 -13.208
  471   3HG1  VAL  59          HG13      VAL  59   8.761  -5.342 -12.128
  472   1HG2  VAL  59          HG21      VAL  59  10.474  -8.552 -12.940
  473   2HG2  VAL  59          HG22      VAL  59   8.923  -7.707 -12.948
  474   3HG2  VAL  59          HG23      VAL  59  10.187  -7.220 -14.091
  475    H    ASN  60           H        ASN  60  12.143  -7.182  -9.601
  476    HA   ASN  60           HA       ASN  60  13.494  -9.711 -10.127
  477   1HB   ASN  60          HB2       ASN  60  15.071  -7.491  -9.580
  478   2HB   ASN  60          HB3       ASN  60  14.813  -8.166  -7.970
  479   1HD2  ASN  60          HD22      ASN  60  15.519  -9.193 -11.355
  480   2HD2  ASN  60          HD21      ASN  60  16.679 -10.436 -10.923
  481    H    GLU  61           H        GLU  61  13.842 -10.939  -8.090
  482    HA   GLU  61           HA       GLU  61  11.374 -11.189  -6.669
  483   1HB   GLU  61          HB2       GLU  61  12.839 -13.077  -7.151
  484   2HB   GLU  61          HB3       GLU  61  14.154 -12.355  -6.228
  485   1HG   GLU  61          HG2       GLU  61  12.701 -12.508  -4.159
  486   2HG   GLU  61          HG3       GLU  61  11.454 -13.283  -5.135
  487    H    GLY  62           H        GLY  62  10.695  -9.597  -5.360
  488   1HA   GLY  62          HA2       GLY  62  10.689  -8.650  -3.206
  489   2HA   GLY  62          HA3       GLY  62  12.456  -8.604  -3.189
  490    H    ASP  63           H        ASP  63  11.436  -7.560  -6.306
  491    HA   ASP  63           HA       ASP  63  12.249  -4.845  -5.650
  492   1HB   ASP  63          HB2       ASP  63  12.820  -6.230  -7.749
  493   2HB   ASP  63          HB3       ASP  63  11.182  -5.890  -8.300
  494    H    VAL  64           H        VAL  64  10.839  -3.154  -5.250
  495    HA   VAL  64           HA       VAL  64   8.100  -3.759  -4.722
  496    HB   VAL  64           HB       VAL  64   9.401  -1.012  -4.878
  497   1HG1  VAL  64          HG11      VAL  64   7.640  -0.412  -3.196
  498   2HG1  VAL  64          HG12      VAL  64   6.935  -0.883  -4.738
  499   3HG1  VAL  64          HG13      VAL  64   6.932  -2.034  -3.388
  500   1HG2  VAL  64          HG21      VAL  64  10.689  -2.412  -3.303
  501   2HG2  VAL  64          HG22      VAL  64   9.707  -1.257  -2.408
  502   3HG2  VAL  64          HG23      VAL  64   9.182  -2.950  -2.526
  503    H    LEU  65           H        LEU  65   6.232  -3.095  -5.762
  504    HA   LEU  65           HA       LEU  65   6.490  -2.362  -8.648
  505   1HB   LEU  65          HB2       LEU  65   5.709  -4.624  -8.366
  506   2HB   LEU  65          HB3       LEU  65   4.529  -4.140  -7.149
  507    HG   LEU  65           HG       LEU  65   3.185  -2.955  -8.808
  508   1HD1  LEU  65          HD11      LEU  65   3.725  -3.191 -11.258
  509   2HD1  LEU  65          HD12      LEU  65   4.817  -2.125 -10.386
  510   3HD1  LEU  65          HD13      LEU  65   5.343  -3.773 -10.803
  511   1HD2  LEU  65          HD21      LEU  65   2.780  -5.345  -8.459
  512   2HD2  LEU  65          HD22      LEU  65   2.524  -4.934 -10.167
  513   3HD2  LEU  65          HD23      LEU  65   4.011  -5.748  -9.676
  514    H    LEU  66           H        LEU  66   4.506  -1.945  -5.601
  515    HA   LEU  66           HA       LEU  66   4.024   0.800  -6.450
  516   1HB   LEU  66          HB2       LEU  66   1.599   0.723  -6.479
  517   2HB   LEU  66          HB3       LEU  66   2.282  -0.304  -7.710
  518    HG   LEU  66           HG       LEU  66   1.853  -2.274  -6.150
  519   1HD1  LEU  66          HD11      LEU  66   1.431  -1.197  -3.990
  520   2HD1  LEU  66          HD12      LEU  66   0.177  -0.165  -4.712
  521   3HD1  LEU  66          HD13      LEU  66  -0.072  -1.916  -4.538
  522   1HD2  LEU  66          HD21      LEU  66   0.521  -1.842  -8.105
  523   2HD2  LEU  66          HD22      LEU  66  -0.500  -2.434  -6.801
  524   3HD2  LEU  66          HD23      LEU  66  -0.509  -0.699  -7.199
  525    H    GLU  67           H        GLU  67   2.528   1.906  -4.819
  526    HA   GLU  67           HA       GLU  67   3.259   1.056  -2.065
  527   1HB   GLU  67          HB2       GLU  67   4.745   2.890  -3.115
  528   2HB   GLU  67          HB3       GLU  67   3.291   3.876  -3.205
  529   1HG   GLU  67          HG2       GLU  67   4.272   4.625  -1.262
  530   2HG   GLU  67          HG3       GLU  67   3.090   3.483  -0.633
  531    H    LEU  68           H        LEU  68   1.557   1.341  -0.620
  532    HA   LEU  68           HA       LEU  68  -1.034   2.220  -1.798
  533   1HB   LEU  68          HB2       LEU  68  -0.402   0.039   0.230
  534   2HB   LEU  68          HB3       LEU  68  -2.033   0.565  -0.161
  535    HG   LEU  68           HG       LEU  68  -0.132  -0.687  -2.162
  536   1HD1  LEU  68          HD11      LEU  68  -1.600  -2.668  -1.966
  537   2HD1  LEU  68          HD12      LEU  68  -0.812  -2.287  -0.427
  538   3HD1  LEU  68          HD13      LEU  68  -2.519  -1.862  -0.683
  539   1HD2  LEU  68          HD21      LEU  68  -1.760   0.781  -3.232
  540   2HD2  LEU  68          HD22      LEU  68  -2.141  -0.882  -3.583
  541   3HD2  LEU  68          HD23      LEU  68  -3.098  -0.006  -2.373
  542    H    SER  69           H        SER  69  -2.643   3.057  -0.360
  543    HA   SER  69           HA       SER  69  -1.791   4.851   1.701
  544   1HB   SER  69          HB2       SER  69  -4.281   4.904   2.144
  545   2HB   SER  69          HB3       SER  69  -3.828   5.240   0.464
  546    HG   SER  69           HG       SER  69  -5.588   3.608   1.044
  547    H    ASN  70           H        ASN  70  -2.806   1.494   1.637
  548    HA   ASN  70           HA       ASN  70  -3.551   0.917   4.231
  549   1HB   ASN  70          HB2       ASN  70  -3.757  -0.758   2.534
  550   2HB   ASN  70          HB3       ASN  70  -2.030  -0.704   2.154
  551   1HD2  ASN  70          HD22      ASN  70  -0.760  -2.277   3.102
  552   2HD2  ASN  70          HD21      ASN  70  -1.207  -3.221   4.510
  553    H    SER  71           H        SER  71  -2.596   0.548   6.154
  554    HA   SER  71           HA       SER  71   0.341   0.220   6.361
  555   1HB   SER  71          HB2       SER  71  -1.310   2.109   8.097
  556   2HB   SER  71          HB3       SER  71   0.428   1.803   8.229
  557    HG   SER  71           HG       SER  71  -0.048   3.735   7.097
  558    H    THR  72           H        THR  72  -2.409  -1.415   6.729
  559    HA   THR  72           HA       THR  72  -1.795  -2.439   9.466
  560    HB   THR  72           HB       THR  72  -4.348  -2.728   9.561
  561    HG1  THR  72           HG1      THR  72  -5.531  -1.419   8.229
  562   1HG2  THR  72          HG21      THR  72  -4.699  -0.449  10.384
  563   2HG2  THR  72          HG22      THR  72  -3.100  -1.020  10.879
  564   3HG2  THR  72          HG23      THR  72  -3.251   0.126   9.530
  565    H    GLN  73           H        GLN  73  -3.160  -3.241   6.215
  566    HA   GLN  73           HA       GLN  73  -3.170  -6.107   6.777
  567   1HB   GLN  73          HB2       GLN  73  -3.193  -4.612   4.111
  568   2HB   GLN  73          HB3       GLN  73  -3.378  -6.353   4.334
  569   1HG   GLN  73          HG2       GLN  73  -5.422  -5.903   5.745
  570   2HG   GLN  73          HG3       GLN  73  -5.278  -4.192   5.336
  571   1HE2  GLN  73          HE21      GLN  73  -7.605  -4.798   4.589
  572   2HE2  GLN  73          HE22      GLN  73  -7.766  -5.349   2.938
  Start of MODEL    6
    1   1H    THR   2          H1        THR   2   1.607  -2.284   0.076
    2   2H    THR   2          H2        THR   2   2.784  -2.612   1.167
    3   3H    THR   2          H3        THR   2   2.421  -1.051   0.823
    4    HA   THR   2           HA       THR   2   3.172  -1.354  -1.454
    5    HB   THR   2           HB       THR   2   5.147  -1.908   0.789
    6    HG1  THR   2           HG1      THR   2   5.189   0.324   0.832
    7   1HG2  THR   2          HG21      THR   2   6.246  -2.227  -1.445
    8   2HG2  THR   2          HG22      THR   2   5.689  -0.599  -1.915
    9   3HG2  THR   2          HG23      THR   2   6.833  -0.803  -0.578
   10    H    VAL   3           H        VAL   3   3.918  -2.751  -3.094
   11    HA   VAL   3           HA       VAL   3   3.922  -5.646  -2.448
   12    HB   VAL   3           HB       VAL   3   2.394  -4.668  -4.847
   13   1HG1  VAL   3          HG11      VAL   3   1.122  -6.740  -4.485
   14   2HG1  VAL   3          HG12      VAL   3   2.852  -7.080  -4.552
   15   3HG1  VAL   3          HG13      VAL   3   2.020  -7.035  -2.977
   16   1HG2  VAL   3          HG21      VAL   3   1.098  -4.831  -2.092
   17   2HG2  VAL   3          HG22      VAL   3   1.238  -3.374  -3.115
   18   3HG2  VAL   3          HG23      VAL   3   0.232  -4.718  -3.640
   19    H    SER   4           H        SER   4   5.115  -6.870  -3.971
   20    HA   SER   4           HA       SER   4   6.922  -5.370  -5.797
   21   1HB   SER   4          HB2       SER   4   7.727  -7.370  -3.641
   22   2HB   SER   4          HB3       SER   4   8.815  -6.466  -4.699
   23    HG   SER   4           HG       SER   4   8.574  -5.585  -2.550
   24    H    ILE   5           H        ILE   5   8.151  -6.771  -7.202
   25    HA   ILE   5           HA       ILE   5   6.605  -9.045  -8.218
   26    HB   ILE   5           HB       ILE   5   9.355  -8.030  -9.053
   27   1HG1  ILE   5          HG12      ILE   5   7.900  -6.133  -9.317
   28   2HG1  ILE   5          HG13      ILE   5   8.189  -6.832 -10.894
   29   1HG2  ILE   5          HG21      ILE   5   8.773  -9.080 -11.242
   30   2HG2  ILE   5          HG22      ILE   5   8.880 -10.251  -9.940
   31   3HG2  ILE   5          HG23      ILE   5   7.286  -9.736 -10.523
   32   1HD1  ILE   5          HD11      ILE   5   5.965  -7.904 -10.878
   33   2HD1  ILE   5          HD12      ILE   5   5.645  -7.179  -9.280
   34   3HD1  ILE   5          HD13      ILE   5   5.887  -6.148 -10.699
   35    H    GLN   6           H        GLN   6   7.419 -11.248  -8.173
   36    HA   GLN   6           HA       GLN   6   9.075 -11.743  -5.743
   37   1HB   GLN   6          HB2       GLN   6   7.129 -13.727  -6.915
   38   2HB   GLN   6          HB3       GLN   6   7.779 -13.613  -5.290
   39   1HG   GLN   6          HG2       GLN   6   5.647 -12.874  -4.900
   40   2HG   GLN   6          HG3       GLN   6   6.439 -11.330  -5.177
   41   1HE2  GLN   6          HE22      GLN   6   5.098  -9.995  -6.488
   42   2HE2  GLN   6          HE21      GLN   6   4.110 -10.629  -7.798
   43    H    MET   7           H        MET   7   9.802 -11.616  -8.875
   44    HA   MET   7           HA       MET   7  11.665 -13.839  -8.911
   45   1HB   MET   7          HB2       MET   7  10.691 -14.873 -10.955
   46   2HB   MET   7          HB3       MET   7   9.629 -15.020  -9.556
   47   1HG   MET   7          HG2       MET   7   8.435 -12.907 -10.444
   48   2HG   MET   7          HG3       MET   7   9.298 -13.203 -11.946
   49   1HE   MET   7          HE1       MET   7   5.245 -14.436 -11.246
   50   2HE   MET   7          HE2       MET   7   6.214 -13.474 -10.121
   51   3HE   MET   7          HE3       MET   7   6.108 -13.004 -11.834
   52    H    ALA   8           H        ALA   8  13.043 -13.680 -10.877
   53    HA   ALA   8           HA       ALA   8  13.464 -10.906 -11.720
   54   1HB   ALA   8          HB1       ALA   8  14.874 -13.481 -12.501
   55   2HB   ALA   8          HB2       ALA   8  15.412 -11.827 -12.868
   56   3HB   ALA   8          HB3       ALA   8  15.357 -12.386 -11.178
   57    H    GLY   9           H        GLY   9  12.975  -9.992 -13.686
   58   1HA   GLY   9          HA2       GLY   9  12.589 -11.382 -16.098
   59   2HA   GLY   9          HA3       GLY   9  11.005 -11.250 -15.338
   60    H    ASN  10           H        ASN  10  10.224  -9.863 -16.965
   61    HA   ASN  10           HA       ASN  10  11.103  -7.021 -16.733
   62   1HB   ASN  10          HB2       ASN  10  10.779  -8.673 -19.249
   63   2HB   ASN  10          HB3       ASN  10  10.247  -6.997 -19.249
   64   1HD2  ASN  10          HD22      ASN  10  13.144  -7.974 -17.322
   65   2HD2  ASN  10          HD21      ASN  10  14.271  -7.199 -18.414
   66    H    LEU  11           H        LEU  11   9.381  -5.619 -16.718
   67    HA   LEU  11           HA       LEU  11   6.963  -6.853 -15.721
   68   1HB   LEU  11          HB2       LEU  11   8.248  -4.974 -14.653
   69   2HB   LEU  11          HB3       LEU  11   7.701  -3.918 -15.951
   70    HG   LEU  11           HG       LEU  11   5.323  -4.392 -15.279
   71   1HD1  LEU  11          HD11      LEU  11   5.430  -6.565 -14.205
   72   2HD1  LEU  11          HD12      LEU  11   6.648  -5.994 -13.044
   73   3HD1  LEU  11          HD13      LEU  11   4.980  -5.396 -12.969
   74   1HD2  LEU  11          HD21      LEU  11   7.169  -3.441 -13.050
   75   2HD2  LEU  11          HD22      LEU  11   6.597  -2.458 -14.426
   76   3HD2  LEU  11          HD23      LEU  11   5.451  -3.039 -13.219
   77    H    TRP  12           H        TRP  12   6.260  -7.771 -17.711
   78    HA   TRP  12           HA       TRP  12   5.947  -6.868 -20.176
   79   1HB   TRP  12          HB2       TRP  12   5.224  -9.079 -19.051
   80   2HB   TRP  12          HB3       TRP  12   3.665  -8.325 -18.812
   81    HD1  TRP  12           HD1      TRP  12   6.084  -9.080 -21.675
   82    HE1  TRP  12           HE1      TRP  12   4.803  -9.807 -23.770
   83    HE3  TRP  12           HE3      TRP  12   1.329  -8.466 -19.923
   84    HZ2  TRP  12           HZ2      TRP  12   2.028 -10.134 -24.560
   85    HZ3  TRP  12           HZ3      TRP  12  -0.620  -9.043 -21.342
   86    HH2  TRP  12           HH2      TRP  12  -0.283  -9.869 -23.663
   87    H    LYS  13           H        LYS  13   3.282  -6.334 -17.779
   88    HA   LYS  13           HA       LYS  13   2.612  -3.760 -19.007
   89   1HB   LYS  13          HB2       LYS  13   0.667  -6.108 -18.873
   90   2HB   LYS  13          HB3       LYS  13   0.167  -4.421 -19.075
   91   1HG   LYS  13          HG2       LYS  13   1.517  -4.303 -21.181
   92   2HG   LYS  13          HG3       LYS  13   1.853  -6.039 -21.020
   93   1HD   LYS  13          HD2       LYS  13  -0.630  -6.459 -20.994
   94   2HD   LYS  13          HD3       LYS  13  -0.893  -4.751 -21.354
   95   1HE   LYS  13          HE2       LYS  13   0.707  -6.710 -23.075
   96   2HE   LYS  13          HE3       LYS  13  -0.978  -6.267 -23.356
   97   1HZ   LYS  13          HZ1       LYS  13  -0.259  -3.974 -23.706
   98   2HZ   LYS  13          HZ2       LYS  13   1.310  -4.388 -23.482
   99   3HZ   LYS  13          HZ3       LYS  13   0.480  -4.977 -24.752
  100    H    VAL  14           H        VAL  14   1.039  -2.595 -17.586
  101    HA   VAL  14           HA       VAL  14   0.883  -3.583 -14.788
  102    HB   VAL  14           HB       VAL  14   1.975  -0.849 -15.604
  103   1HG1  VAL  14          HG11      VAL  14   2.445  -0.581 -13.145
  104   2HG1  VAL  14          HG12      VAL  14   0.721  -0.619 -13.509
  105   3HG1  VAL  14          HG13      VAL  14   1.517  -2.058 -12.827
  106   1HG2  VAL  14          HG21      VAL  14   3.695  -2.586 -15.879
  107   2HG2  VAL  14          HG22      VAL  14   4.047  -1.623 -14.452
  108   3HG2  VAL  14          HG23      VAL  14   3.310  -3.241 -14.272
  109    H    HIS  15           H        HIS  15  -0.971  -2.808 -13.719
  110    HA   HIS  15           HA       HIS  15  -2.991  -1.503 -15.489
  111   1HB   HIS  15          HB2       HIS  15  -3.622  -3.745 -13.577
  112   2HB   HIS  15          HB3       HIS  15  -4.529  -3.206 -14.985
  113    HD1  HIS  15           HD1      HIS  15  -2.442  -3.618 -17.320
  114    HD2  HIS  15           HD2      HIS  15  -2.783  -6.091 -13.941
  115    HE1  HIS  15           HE1      HIS  15  -1.281  -5.824 -17.903
  116    H    VAL  16           H        VAL  16  -1.366  -0.319 -13.221
  117    HA   VAL  16           HA       VAL  16  -3.639   0.678 -11.605
  118    HB   VAL  16           HB       VAL  16  -2.093   0.764  -9.632
  119   1HG1  VAL  16          HG11      VAL  16  -3.908  -0.874  -9.745
  120   2HG1  VAL  16          HG12      VAL  16  -2.826  -2.035 -10.539
  121   3HG1  VAL  16          HG13      VAL  16  -2.503  -1.494  -8.870
  122   1HG2  VAL  16          HG21      VAL  16  -0.444  -1.367 -11.040
  123   2HG2  VAL  16          HG22      VAL  16   0.055   0.327 -10.873
  124   3HG2  VAL  16          HG23      VAL  16  -0.191  -0.654  -9.430
  125    H    LYS  17           H        LYS  17  -3.160   2.735 -10.569
  126    HA   LYS  17           HA       LYS  17  -0.880   4.276 -11.465
  127   1HB   LYS  17          HB2       LYS  17  -2.222   6.184 -12.242
  128   2HB   LYS  17          HB3       LYS  17  -2.446   4.788 -13.290
  129   1HG   LYS  17          HG2       LYS  17  -4.621   4.295 -12.280
  130   2HG   LYS  17          HG3       LYS  17  -4.428   5.584 -11.095
  131   1HD   LYS  17          HD2       LYS  17  -4.578   5.973 -14.109
  132   2HD   LYS  17          HD3       LYS  17  -5.932   6.170 -13.005
  133   1HE   LYS  17          HE2       LYS  17  -3.369   7.837 -12.952
  134   2HE   LYS  17          HE3       LYS  17  -4.885   8.318 -13.709
  135   1HZ   LYS  17          HZ1       LYS  17  -4.503   7.858 -10.798
  136   2HZ   LYS  17          HZ2       LYS  17  -4.718   9.288 -11.546
  137   3HZ   LYS  17          HZ3       LYS  17  -5.939   8.214 -11.514
  138    H    ALA  18           H        ALA  18  -0.818   6.324 -10.090
  139    HA   ALA  18           HA       ALA  18  -1.529   5.926  -7.368
  140   1HB   ALA  18          HB1       ALA  18   0.186   7.551  -8.094
  141   2HB   ALA  18          HB2       ALA  18  -1.068   8.528  -8.898
  142   3HB   ALA  18          HB3       ALA  18  -1.075   8.346  -7.132
  143    H    GLY  19           H        GLY  19  -3.394   6.323  -6.229
  144   1HA   GLY  19          HA2       GLY  19  -5.453   7.231  -5.729
  145   2HA   GLY  19          HA3       GLY  19  -5.563   7.956  -7.339
  146    H    ASP  20           H        ASP  20  -4.706   4.837  -8.099
  147    HA   ASP  20           HA       ASP  20  -7.437   4.003  -8.654
  148   1HB   ASP  20          HB2       ASP  20  -5.413   3.444 -10.083
  149   2HB   ASP  20          HB3       ASP  20  -4.892   2.347  -8.795
  150    H    GLN  21           H        GLN  21  -8.149   1.768  -7.916
  151    HA   GLN  21           HA       GLN  21  -7.489   1.299  -5.040
  152   1HB   GLN  21          HB2       GLN  21  -9.635   2.418  -5.227
  153   2HB   GLN  21          HB3       GLN  21 -10.200   1.274  -6.434
  154   1HG   GLN  21          HG2       GLN  21  -9.317   0.185  -3.750
  155   2HG   GLN  21          HG3       GLN  21 -10.813   1.102  -3.806
  156   1HE2  GLN  21          HE22      GLN  21  -9.776  -2.031  -3.817
  157   2HE2  GLN  21          HE21      GLN  21 -11.071  -2.736  -4.758
  158    H    ILE  22           H        ILE  22  -7.210  -0.797  -4.460
  159    HA   ILE  22           HA       ILE  22  -7.612  -2.902  -6.499
  160    HB   ILE  22           HB       ILE  22  -5.491  -3.873  -6.066
  161   1HG1  ILE  22          HG12      ILE  22  -5.077  -1.687  -3.990
  162   2HG1  ILE  22          HG13      ILE  22  -5.151  -3.434  -3.734
  163   1HG2  ILE  22          HG21      ILE  22  -4.961  -0.923  -6.591
  164   2HG2  ILE  22          HG22      ILE  22  -4.006  -2.308  -7.146
  165   3HG2  ILE  22          HG23      ILE  22  -5.625  -2.049  -7.788
  166   1HD1  ILE  22          HD11      ILE  22  -2.948  -1.842  -5.063
  167   2HD1  ILE  22          HD12      ILE  22  -2.873  -2.800  -3.568
  168   3HD1  ILE  22          HD13      ILE  22  -3.026  -3.618  -5.133
  169    H    GLU  23           H        GLU  23  -7.705  -5.052  -5.544
  170    HA   GLU  23           HA       GLU  23  -8.543  -5.160  -2.719
  171   1HB   GLU  23          HB2       GLU  23 -10.558  -4.843  -4.041
  172   2HB   GLU  23          HB3       GLU  23 -10.107  -6.179  -5.118
  173   1HG   GLU  23          HG2       GLU  23 -10.297  -7.765  -3.224
  174   2HG   GLU  23          HG3       GLU  23 -10.654  -6.430  -2.125
  175    H    LYS  24           H        LYS  24  -7.965  -7.217  -1.810
  176    HA   LYS  24           HA       LYS  24  -5.668  -8.433  -2.732
  177   1HB   LYS  24          HB2       LYS  24  -6.700  -8.655  -0.460
  178   2HB   LYS  24          HB3       LYS  24  -7.877  -9.794  -1.126
  179   1HG   LYS  24          HG2       LYS  24  -6.015 -11.324  -1.779
  180   2HG   LYS  24          HG3       LYS  24  -4.849 -10.161  -1.137
  181   1HD   LYS  24          HD2       LYS  24  -5.988 -10.412   1.141
  182   2HD   LYS  24          HD3       LYS  24  -7.012 -11.652   0.411
  183   1HE   LYS  24          HE2       LYS  24  -5.350 -12.926   1.422
  184   2HE   LYS  24          HE3       LYS  24  -4.819 -12.852  -0.259
  185   1HZ   LYS  24          HZ1       LYS  24  -2.978 -12.416   1.188
  186   2HZ   LYS  24          HZ2       LYS  24  -3.317 -10.990   0.455
  187   3HZ   LYS  24          HZ3       LYS  24  -3.770 -11.251   2.004
  188    H    GLY  25           H        GLY  25  -5.159  -9.650  -4.469
  189   1HA   GLY  25          HA2       GLY  25  -5.311 -11.504  -5.862
  190   2HA   GLY  25          HA3       GLY  25  -7.021 -11.702  -5.474
  191    H    GLN  26           H        GLN  26  -6.892  -8.453  -6.184
  192    HA   GLN  26           HA       GLN  26  -7.876  -8.677  -8.875
  193   1HB   GLN  26          HB2       GLN  26  -8.400  -6.860  -7.224
  194   2HB   GLN  26          HB3       GLN  26  -6.730  -6.286  -7.360
  195   1HG   GLN  26          HG2       GLN  26  -7.118  -5.804  -9.770
  196   2HG   GLN  26          HG3       GLN  26  -8.785  -6.370  -9.614
  197   1HE2  GLN  26          HE22      GLN  26  -6.943  -3.578  -9.666
  198   2HE2  GLN  26          HE21      GLN  26  -7.950  -2.532  -8.678
  199    H    GLU  27           H        GLU  27  -6.711  -8.442 -10.816
  200    HA   GLU  27           HA       GLU  27  -3.858  -8.944 -10.780
  201   1HB   GLU  27          HB2       GLU  27  -5.564  -9.751 -12.487
  202   2HB   GLU  27          HB3       GLU  27  -5.641  -8.096 -13.101
  203   1HG   GLU  27          HG2       GLU  27  -3.189  -8.222 -13.614
  204   2HG   GLU  27          HG3       GLU  27  -3.151  -9.860 -12.971
  205    H    VAL  28           H        VAL  28  -2.201  -7.507 -11.141
  206    HA   VAL  28           HA       VAL  28  -2.830  -4.589 -11.207
  207    HB   VAL  28           HB       VAL  28  -1.284  -6.238  -9.187
  208   1HG1  VAL  28          HG11      VAL  28  -1.009  -3.235  -9.552
  209   2HG1  VAL  28          HG12      VAL  28  -0.459  -4.168  -8.144
  210   3HG1  VAL  28          HG13      VAL  28   0.266  -4.446  -9.726
  211   1HG2  VAL  28          HG21      VAL  28  -3.405  -4.055  -8.942
  212   2HG2  VAL  28          HG22      VAL  28  -3.650  -5.788  -8.679
  213   3HG2  VAL  28          HG23      VAL  28  -2.610  -4.873  -7.583
  214    H    ALA  29           H        ALA  29  -0.520  -7.230 -12.036
  215    HA   ALA  29           HA       ALA  29   0.329  -5.635 -14.285
  216   1HB   ALA  29          HB1       ALA  29   2.398  -6.375 -12.146
  217   2HB   ALA  29          HB2       ALA  29   2.767  -5.749 -13.760
  218   3HB   ALA  29          HB3       ALA  29   1.910  -4.731 -12.605
  219    H    ILE  30           H        ILE  30   2.185  -6.997 -15.400
  220    HA   ILE  30           HA       ILE  30   1.838  -9.906 -14.963
  221    HB   ILE  30           HB       ILE  30   1.568  -8.432 -17.613
  222   1HG1  ILE  30          HG12      ILE  30  -0.270 -10.511 -16.330
  223   2HG1  ILE  30          HG13      ILE  30  -0.513  -8.776 -16.192
  224   1HG2  ILE  30          HG21      ILE  30   1.559 -10.660 -18.723
  225   2HG2  ILE  30          HG22      ILE  30   3.095 -10.371 -17.942
  226   3HG2  ILE  30          HG23      ILE  30   1.906 -11.435 -17.163
  227   1HD1  ILE  30          HD11      ILE  30  -0.741  -8.579 -18.649
  228   2HD1  ILE  30          HD12      ILE  30  -0.639 -10.355 -18.777
  229   3HD1  ILE  30          HD13      ILE  30  -1.971  -9.605 -17.892
  230    H    LEU  31           H        LEU  31   3.736 -10.956 -15.176
  231    HA   LEU  31           HA       LEU  31   6.241  -9.399 -15.652
  232   1HB   LEU  31          HB2       LEU  31   5.957 -10.134 -13.378
  233   2HB   LEU  31          HB3       LEU  31   5.517 -11.773 -13.865
  234    HG   LEU  31           HG       LEU  31   7.730 -11.435 -12.787
  235   1HD1  LEU  31          HD11      LEU  31   7.264 -13.452 -14.105
  236   2HD1  LEU  31          HD12      LEU  31   7.948 -12.687 -15.545
  237   3HD1  LEU  31          HD13      LEU  31   8.972 -12.991 -14.139
  238   1HD2  LEU  31          HD21      LEU  31   8.226  -9.292 -14.044
  239   2HD2  LEU  31          HD22      LEU  31   9.556 -10.440 -13.823
  240   3HD2  LEU  31          HD23      LEU  31   8.733 -10.321 -15.400
  241    H    GLU  32           H        GLU  32   7.568 -10.220 -17.270
  242    HA   GLU  32           HA       GLU  32   6.771 -12.764 -18.611
  243   1HB   GLU  32          HB2       GLU  32   6.344 -10.849 -20.004
  244   2HB   GLU  32          HB3       GLU  32   7.967 -10.207 -19.761
  245   1HG   GLU  32          HG2       GLU  32   7.433 -12.928 -21.027
  246   2HG   GLU  32          HG3       GLU  32   7.392 -11.445 -21.965
  247    H    SER  33           H        SER  33   8.264 -14.330 -18.418
  248    HA   SER  33           HA       SER  33  11.075 -13.935 -18.392
  249   1HB   SER  33          HB2       SER  33  10.377 -13.169 -16.003
  250   2HB   SER  33          HB3       SER  33   9.964 -14.858 -15.702
  251    HG   SER  33           HG       SER  33  12.129 -14.046 -15.149
  252    H    MET  34           H        MET  34  12.099 -16.179 -17.844
  253    HA   MET  34           HA       MET  34  12.256 -18.329 -18.591
  254   1HB   MET  34          HB2       MET  34  10.975 -19.889 -17.138
  255   2HB   MET  34          HB3       MET  34  11.835 -18.606 -16.299
  256   1HG   MET  34          HG2       MET  34   9.754 -17.353 -15.983
  257   2HG   MET  34          HG3       MET  34   8.847 -18.592 -16.852
  258   1HE   MET  34          HE1       MET  34   8.377 -17.229 -13.909
  259   2HE   MET  34          HE2       MET  34   7.212 -18.368 -14.618
  260   3HE   MET  34          HE3       MET  34   7.820 -18.629 -12.970
  261    H    LYS  35           H        LYS  35  11.008 -16.953 -20.553
  262    HA   LYS  35           HA       LYS  35   9.769 -17.066 -22.420
  263   1HB   LYS  35          HB2       LYS  35   9.997 -20.078 -22.069
  264   2HB   LYS  35          HB3       LYS  35   9.657 -19.234 -23.567
  265   1HG   LYS  35          HG2       LYS  35  12.261 -19.136 -21.989
  266   2HG   LYS  35          HG3       LYS  35  11.973 -20.002 -23.487
  267   1HD   LYS  35          HD2       LYS  35  11.965 -16.968 -23.165
  268   2HD   LYS  35          HD3       LYS  35  13.258 -17.951 -23.855
  269   1HE   LYS  35          HE2       LYS  35  11.713 -18.734 -25.648
  270   2HE   LYS  35          HE3       LYS  35  10.434 -17.708 -24.989
  271   1HZ   LYS  35          HZ1       LYS  35  13.013 -16.731 -26.072
  272   2HZ   LYS  35          HZ2       LYS  35  11.572 -16.634 -26.821
  273   3HZ   LYS  35          HZ3       LYS  35  11.833 -15.778 -25.461
  274    H    MET  36           H        MET  36   8.207 -16.804 -19.974
  275    HA   MET  36           HA       MET  36   5.567 -17.585 -21.040
  276   1HB   MET  36          HB2       MET  36   6.630 -18.176 -18.237
  277   2HB   MET  36          HB3       MET  36   4.919 -18.229 -18.672
  278   1HG   MET  36          HG2       MET  36   5.420 -19.961 -20.385
  279   2HG   MET  36          HG3       MET  36   7.091 -20.006 -19.829
  280   1HE   MET  36          HE1       MET  36   7.905 -20.912 -17.540
  281   2HE   MET  36          HE2       MET  36   6.839 -19.837 -16.605
  282   3HE   MET  36          HE3       MET  36   6.850 -21.579 -16.274
  283    H    GLU  37           H        GLU  37   3.858 -16.446 -19.666
  284    HA   GLU  37           HA       GLU  37   4.801 -13.880 -18.523
  285   1HB   GLU  37          HB2       GLU  37   2.242 -14.285 -20.130
  286   2HB   GLU  37          HB3       GLU  37   2.709 -12.847 -19.239
  287   1HG   GLU  37          HG2       GLU  37   3.240 -12.274 -21.415
  288   2HG   GLU  37          HG3       GLU  37   4.794 -12.720 -20.725
  289    H    ILE  38           H        ILE  38   3.848 -13.437 -16.546
  290    HA   ILE  38           HA       ILE  38   2.076 -15.501 -15.356
  291    HB   ILE  38           HB       ILE  38   4.641 -14.361 -14.141
  292   1HG1  ILE  38          HG12      ILE  38   5.119 -17.028 -14.181
  293   2HG1  ILE  38          HG13      ILE  38   4.113 -16.943 -15.613
  294   1HG2  ILE  38          HG21      ILE  38   2.972 -14.814 -12.424
  295   2HG2  ILE  38          HG22      ILE  38   2.661 -16.435 -13.101
  296   3HG2  ILE  38          HG23      ILE  38   4.218 -16.053 -12.351
  297   1HD1  ILE  38          HD11      ILE  38   6.454 -16.771 -16.241
  298   2HD1  ILE  38          HD12      ILE  38   5.755 -15.169 -16.508
  299   3HD1  ILE  38          HD13      ILE  38   6.735 -15.481 -15.066
  300    HA   PRO  39           HA       PRO  39   0.194 -11.559 -14.253
  301   1HB   PRO  39          HB2       PRO  39  -1.814 -12.392 -12.589
  302   2HB   PRO  39          HB3       PRO  39  -1.851 -12.630 -14.364
  303   1HG   PRO  39          HG2       PRO  39  -1.006 -14.622 -12.241
  304   2HG   PRO  39          HG3       PRO  39  -2.123 -14.880 -13.619
  305   1HD   PRO  39          HD2       PRO  39   0.507 -15.595 -13.724
  306   2HD   PRO  39          HD3       PRO  39  -0.341 -14.959 -15.166
  307    H    ILE  40           H        ILE  40   0.158 -10.128 -12.512
  308    HA   ILE  40           HA       ILE  40   1.318 -10.980  -9.906
  309    HB   ILE  40           HB       ILE  40   1.792  -8.409 -11.456
  310   1HG1  ILE  40          HG12      ILE  40   3.107 -10.251 -12.444
  311   2HG1  ILE  40          HG13      ILE  40   4.066  -8.951 -11.779
  312   1HG2  ILE  40          HG21      ILE  40   2.752  -9.264  -8.703
  313   2HG2  ILE  40          HG22      ILE  40   3.440  -7.906  -9.614
  314   3HG2  ILE  40          HG23      ILE  40   1.747  -7.867  -9.128
  315   1HD1  ILE  40          HD11      ILE  40   4.638 -10.297  -9.807
  316   2HD1  ILE  40          HD12      ILE  40   3.587 -11.620 -10.381
  317   3HD1  ILE  40          HD13      ILE  40   5.036 -11.154 -11.294
  318    H    VAL  41           H        VAL  41   0.066 -10.270  -8.211
  319    HA   VAL  41           HA       VAL  41  -2.408  -8.757  -8.874
  320    HB   VAL  41           HB       VAL  41  -3.502 -10.310  -7.188
  321   1HG1  VAL  41          HG11      VAL  41  -3.789 -12.203  -8.765
  322   2HG1  VAL  41          HG12      VAL  41  -4.003 -10.628  -9.504
  323   3HG1  VAL  41          HG13      VAL  41  -2.493 -11.535  -9.785
  324   1HG2  VAL  41          HG21      VAL  41  -1.096 -12.112  -7.673
  325   2HG2  VAL  41          HG22      VAL  41  -1.408 -11.222  -6.160
  326   3HG2  VAL  41          HG23      VAL  41  -2.539 -12.466  -6.709
  327    H    ALA  42           H        ALA  42  -3.472  -7.818  -7.050
  328    HA   ALA  42           HA       ALA  42  -1.825  -6.376  -5.191
  329   1HB   ALA  42          HB1       ALA  42  -4.043  -5.772  -4.238
  330   2HB   ALA  42          HB2       ALA  42  -4.058  -5.621  -6.005
  331   3HB   ALA  42          HB3       ALA  42  -4.807  -7.023  -5.237
  332    H    ASP  43           H        ASP  43  -0.722  -7.468  -3.589
  333    HA   ASP  43           HA       ASP  43  -1.500 -10.010  -2.513
  334   1HB   ASP  43          HB2       ASP  43   0.816  -9.174  -2.488
  335   2HB   ASP  43          HB3       ASP  43   0.344  -7.858  -1.405
  336    H    ARG  44           H        ARG  44  -2.584  -6.781  -1.832
  337    HA   ARG  44           HA       ARG  44  -4.518  -7.746   0.101
  338   1HB   ARG  44          HB2       ARG  44  -3.958  -5.970   1.759
  339   2HB   ARG  44          HB3       ARG  44  -2.752  -7.244   1.687
  340   1HG   ARG  44          HG2       ARG  44  -1.133  -5.898   0.654
  341   2HG   ARG  44          HG3       ARG  44  -2.308  -4.745   0.019
  342   1HD   ARG  44          HD2       ARG  44  -1.686  -5.058   2.970
  343   2HD   ARG  44          HD3       ARG  44  -0.948  -3.848   1.896
  344    HE   ARG  44           HE       ARG  44  -3.610  -3.469   1.436
  345   1HH1  ARG  44          HH21      ARG  44  -1.770  -3.449   4.476
  346   2HH1  ARG  44          HH22      ARG  44  -2.941  -2.502   5.317
  347   1HH2  ARG  44          HH11      ARG  44  -5.099  -2.287   2.472
  348   2HH2  ARG  44          HH12      ARG  44  -4.860  -1.686   4.096
  349    H    SER  45           H        SER  45  -6.203  -6.058   0.427
  350    HA   SER  45           HA       SER  45  -6.684  -4.431  -1.886
  351   1HB   SER  45          HB2       SER  45  -8.004  -4.342   0.855
  352   2HB   SER  45          HB3       SER  45  -8.724  -3.865  -0.694
  353    HG   SER  45           HG       SER  45  -9.318  -6.006   0.114
  354    H    GLY  46           H        GLY  46  -6.928  -2.040  -1.887
  355   1HA   GLY  46          HA2       GLY  46  -6.424  -0.315   0.198
  356   2HA   GLY  46          HA3       GLY  46  -4.815  -0.672  -0.446
  357    H    ILE  47           H        ILE  47  -5.107   1.770  -0.708
  358    HA   ILE  47           HA       ILE  47  -6.083   2.382  -3.459
  359    HB   ILE  47           HB       ILE  47  -5.487   4.225  -1.104
  360   1HG1  ILE  47          HG12      ILE  47  -7.660   3.176  -0.818
  361   2HG1  ILE  47          HG13      ILE  47  -7.843   4.878  -1.198
  362   1HG2  ILE  47          HG21      ILE  47  -6.298   6.070  -2.601
  363   2HG2  ILE  47          HG22      ILE  47  -4.761   5.367  -3.099
  364   3HG2  ILE  47          HG23      ILE  47  -6.244   4.936  -3.968
  365   1HD1  ILE  47          HD11      ILE  47  -8.404   4.271  -3.573
  366   2HD1  ILE  47          HD12      ILE  47  -8.283   2.554  -3.117
  367   3HD1  ILE  47          HD13      ILE  47  -9.523   3.580  -2.384
  368    H    VAL  48           H        VAL  48  -4.527   2.874  -4.907
  369    HA   VAL  48           HA       VAL  48  -1.748   2.240  -4.349
  370    HB   VAL  48           HB       VAL  48  -3.087   3.483  -6.766
  371   1HG1  VAL  48          HG11      VAL  48  -0.634   3.793  -6.799
  372   2HG1  VAL  48          HG12      VAL  48  -0.385   2.075  -6.441
  373   3HG1  VAL  48          HG13      VAL  48  -1.105   2.575  -7.985
  374   1HG2  VAL  48          HG21      VAL  48  -3.053   1.193  -7.711
  375   2HG2  VAL  48          HG22      VAL  48  -2.500   0.554  -6.149
  376   3HG2  VAL  48          HG23      VAL  48  -4.101   1.299  -6.312
  377    H    LYS  49           H        LYS  49  -0.434   3.682  -3.282
  378    HA   LYS  49           HA       LYS  49  -1.052   6.564  -3.280
  379   1HB   LYS  49          HB2       LYS  49  -0.144   5.533  -1.225
  380   2HB   LYS  49          HB3       LYS  49   1.278   4.978  -2.099
  381   1HG   LYS  49          HG2       LYS  49   1.787   6.946  -0.775
  382   2HG   LYS  49          HG3       LYS  49   2.007   7.283  -2.482
  383   1HD   LYS  49          HD2       LYS  49   0.992   9.179  -1.336
  384   2HD   LYS  49          HD3       LYS  49  -0.141   8.527  -2.524
  385   1HE   LYS  49          HE2       LYS  49  -1.323   7.294  -0.714
  386   2HE   LYS  49          HE3       LYS  49  -0.160   7.905   0.468
  387   1HZ   LYS  49          HZ1       LYS  49  -2.197   9.205   0.468
  388   2HZ   LYS  49          HZ2       LYS  49  -0.960  10.150  -0.011
  389   3HZ   LYS  49          HZ3       LYS  49  -2.033   9.584  -1.108
  390    H    GLU  50           H        GLU  50   1.416   4.231  -4.591
  391    HA   GLU  50           HA       GLU  50   1.890   6.040  -6.844
  392   1HB   GLU  50          HB2       GLU  50   3.304   6.948  -4.952
  393   2HB   GLU  50          HB3       GLU  50   4.153   5.402  -4.883
  394   1HG   GLU  50          HG2       GLU  50   5.059   5.733  -7.106
  395   2HG   GLU  50          HG3       GLU  50   3.990   7.110  -7.403
  396    H    VAL  51           H        VAL  51   3.213   4.974  -8.497
  397    HA   VAL  51           HA       VAL  51   3.475   2.022  -8.167
  398    HB   VAL  51           HB       VAL  51   2.944   3.551 -10.750
  399   1HG1  VAL  51          HG11      VAL  51   2.852   0.565 -10.094
  400   2HG1  VAL  51          HG12      VAL  51   2.437   1.306 -11.655
  401   3HG1  VAL  51          HG13      VAL  51   4.099   1.380 -11.063
  402   1HG2  VAL  51          HG21      VAL  51   0.984   1.962  -9.037
  403   2HG2  VAL  51          HG22      VAL  51   0.920   3.712  -9.353
  404   3HG2  VAL  51          HG23      VAL  51   0.665   2.579 -10.676
  405    H    LYS  52           H        LYS  52   5.519   1.291  -8.444
  406    HA   LYS  52           HA       LYS  52   7.611   3.389  -8.576
  407   1HB   LYS  52          HB2       LYS  52   7.705   0.488  -7.647
  408   2HB   LYS  52          HB3       LYS  52   9.000   1.669  -7.459
  409   1HG   LYS  52          HG2       LYS  52   6.273   1.753  -6.098
  410   2HG   LYS  52          HG3       LYS  52   7.814   1.309  -5.371
  411   1HD   LYS  52          HD2       LYS  52   8.679   3.598  -5.727
  412   2HD   LYS  52          HD3       LYS  52   7.109   4.082  -6.423
  413   1HE   LYS  52          HE2       LYS  52   5.955   3.537  -4.361
  414   2HE   LYS  52          HE3       LYS  52   7.432   2.879  -3.640
  415   1HZ   LYS  52          HZ1       LYS  52   8.360   5.079  -3.600
  416   2HZ   LYS  52          HZ2       LYS  52   7.086   5.722  -4.418
  417   3HZ   LYS  52          HZ3       LYS  52   6.869   5.131  -2.900
  418    H    LYS  53           H        LYS  53   6.251   1.321 -10.847
  419    HA   LYS  53           HA       LYS  53   8.802   1.055 -12.350
  420   1HB   LYS  53          HB2       LYS  53   6.759  -1.129 -11.738
  421   2HB   LYS  53          HB3       LYS  53   7.987  -1.263 -12.994
  422   1HG   LYS  53          HG2       LYS  53   8.709  -0.850 -10.075
  423   2HG   LYS  53          HG3       LYS  53   8.515  -2.437 -10.832
  424   1HD   LYS  53          HD2       LYS  53  10.216  -1.858 -12.528
  425   2HD   LYS  53          HD3       LYS  53  10.476  -0.284 -11.744
  426   1HE   LYS  53          HE2       LYS  53  11.317  -1.350  -9.730
  427   2HE   LYS  53          HE3       LYS  53  10.861  -2.944 -10.301
  428   1HZ   LYS  53          HZ1       LYS  53  12.442  -2.592 -12.185
  429   2HZ   LYS  53          HZ2       LYS  53  12.969  -1.221 -11.451
  430   3HZ   LYS  53          HZ3       LYS  53  13.121  -2.695 -10.699
  431    H    LYS  54           H        LYS  54   8.061   0.040 -14.640
  432    HA   LYS  54           HA       LYS  54   5.618   1.307 -15.612
  433   1HB   LYS  54          HB2       LYS  54   6.749   2.559 -17.373
  434   2HB   LYS  54          HB3       LYS  54   7.239   3.148 -15.787
  435   1HG   LYS  54          HG2       LYS  54   9.365   1.849 -15.960
  436   2HG   LYS  54          HG3       LYS  54   8.892   1.290 -17.570
  437   1HD   LYS  54          HD2       LYS  54   9.317   4.202 -16.773
  438   2HD   LYS  54          HD3       LYS  54  10.505   3.177 -17.592
  439   1HE   LYS  54          HE2       LYS  54   8.924   2.866 -19.496
  440   2HE   LYS  54          HE3       LYS  54   7.766   3.941 -18.700
  441   1HZ   LYS  54          HZ1       LYS  54  10.475   4.730 -19.603
  442   2HZ   LYS  54          HZ2       LYS  54   9.077   5.119 -20.341
  443   3HZ   LYS  54          HZ3       LYS  54   9.405   5.723 -18.865
  444    H    GLU  55           H        GLU  55   5.208   0.608 -17.858
  445    HA   GLU  55           HA       GLU  55   5.498  -2.204 -18.017
  446   1HB   GLU  55          HB2       GLU  55   4.680  -0.268 -20.228
  447   2HB   GLU  55          HB3       GLU  55   4.350  -2.008 -20.153
  448   1HG   GLU  55          HG2       GLU  55   3.111  -1.571 -17.975
  449   2HG   GLU  55          HG3       GLU  55   3.255   0.154 -18.298
  450    H    GLY  56           H        GLY  56   7.006  -3.458 -18.915
  451   1HA   GLY  56          HA2       GLY  56   8.629  -4.174 -20.379
  452   2HA   GLY  56          HA3       GLY  56   8.802  -2.543 -21.037
  453    H    ASP  57           H        ASP  57   9.014  -2.098 -17.688
  454    HA   ASP  57           HA       ASP  57  11.889  -1.763 -17.850
  455   1HB   ASP  57          HB2       ASP  57  10.392  -0.309 -16.482
  456   2HB   ASP  57          HB3       ASP  57  10.115  -1.669 -15.385
  457    H    PHE  58           H        PHE  58  13.420  -2.779 -16.373
  458    HA   PHE  58           HA       PHE  58  13.171  -5.691 -16.190
  459   1HB   PHE  58          HB2       PHE  58  15.326  -4.573 -16.658
  460   2HB   PHE  58          HB3       PHE  58  15.213  -3.696 -15.140
  461    HD1  PHE  58           HD1      PHE  58  15.814  -4.740 -13.021
  462    HD2  PHE  58           HD2      PHE  58  15.778  -7.035 -16.675
  463    HE1  PHE  58           HE1      PHE  58  17.096  -6.548 -11.905
  464    HE2  PHE  58           HE2      PHE  58  17.045  -8.845 -15.551
  465    HZ   PHE  58           HZ       PHE  58  17.734  -8.592 -13.177
  466    H    VAL  59           H        VAL  59  12.886  -6.876 -14.256
  467    HA   VAL  59           HA       VAL  59  12.456  -5.446 -11.735
  468    HB   VAL  59           HB       VAL  59  10.345  -6.915 -11.437
  469   1HG1  VAL  59          HG11      VAL  59  10.202  -4.414 -13.165
  470   2HG1  VAL  59          HG12      VAL  59   8.874  -5.100 -12.216
  471   3HG1  VAL  59          HG13      VAL  59  10.304  -4.492 -11.385
  472   1HG2  VAL  59          HG21      VAL  59  10.461  -8.148 -13.581
  473   2HG2  VAL  59          HG22      VAL  59   8.940  -7.242 -13.403
  474   3HG2  VAL  59          HG23      VAL  59  10.212  -6.622 -14.462
  475    H    ASN  60           H        ASN  60  12.282  -6.999  -9.906
  476    HA   ASN  60           HA       ASN  60  13.627  -9.534 -10.424
  477   1HB   ASN  60          HB2       ASN  60  15.199  -7.294  -9.984
  478   2HB   ASN  60          HB3       ASN  60  15.009  -7.939  -8.352
  479   1HD2  ASN  60          HD22      ASN  60  15.668  -8.978 -11.749
  480   2HD2  ASN  60          HD21      ASN  60  16.824 -10.222 -11.322
  481    H    GLU  61           H        GLU  61  14.098 -10.694  -8.333
  482    HA   GLU  61           HA       GLU  61  11.659 -11.041  -6.885
  483   1HB   GLU  61          HB2       GLU  61  13.225 -12.844  -7.287
  484   2HB   GLU  61          HB3       GLU  61  14.524 -11.989  -6.465
  485   1HG   GLU  61          HG2       GLU  61  13.203 -12.133  -4.320
  486   2HG   GLU  61          HG3       GLU  61  11.943 -13.013  -5.182
  487    H    GLY  62           H        GLY  62  10.854  -9.548  -5.545
  488   1HA   GLY  62          HA2       GLY  62  10.725  -8.424  -3.531
  489   2HA   GLY  62          HA3       GLY  62  12.485  -8.452  -3.355
  490    H    ASP  63           H        ASP  63  11.627  -7.412  -6.562
  491    HA   ASP  63           HA       ASP  63  12.487  -4.695  -5.924
  492   1HB   ASP  63          HB2       ASP  63  13.201  -6.091  -7.936
  493   2HB   ASP  63          HB3       ASP  63  11.573  -5.858  -8.581
  494    H    VAL  64           H        VAL  64  11.053  -3.057  -5.533
  495    HA   VAL  64           HA       VAL  64   8.357  -3.724  -5.013
  496    HB   VAL  64           HB       VAL  64   9.544  -0.930  -5.211
  497   1HG1  VAL  64          HG11      VAL  64   7.176  -2.074  -3.655
  498   2HG1  VAL  64          HG12      VAL  64   7.810  -0.423  -3.471
  499   3HG1  VAL  64          HG13      VAL  64   7.088  -0.923  -4.999
  500   1HG2  VAL  64          HG21      VAL  64  10.961  -2.248  -3.688
  501   2HG2  VAL  64          HG22      VAL  64   9.948  -1.155  -2.751
  502   3HG2  VAL  64          HG23      VAL  64   9.521  -2.875  -2.855
  503    H    LEU  65           H        LEU  65   6.457  -3.262  -6.025
  504    HA   LEU  65           HA       LEU  65   6.571  -2.350  -8.864
  505   1HB   LEU  65          HB2       LEU  65   5.759  -4.627  -8.645
  506   2HB   LEU  65          HB3       LEU  65   4.640  -4.166  -7.367
  507    HG   LEU  65           HG       LEU  65   3.341  -2.776  -8.964
  508   1HD1  LEU  65          HD11      LEU  65   5.012  -2.115 -10.578
  509   2HD1  LEU  65          HD12      LEU  65   5.330  -3.810 -11.013
  510   3HD1  LEU  65          HD13      LEU  65   3.771  -3.043 -11.412
  511   1HD2  LEU  65          HD21      LEU  65   2.713  -5.121  -8.585
  512   2HD2  LEU  65          HD22      LEU  65   2.383  -4.618 -10.252
  513   3HD2  LEU  65          HD23      LEU  65   3.788  -5.628  -9.905
  514    H    LEU  66           H        LEU  66   4.711  -2.092  -5.724
  515    HA   LEU  66           HA       LEU  66   4.132   0.683  -6.410
  516   1HB   LEU  66          HB2       LEU  66   1.773   0.600  -6.366
  517   2HB   LEU  66          HB3       LEU  66   2.309  -0.447  -7.655
  518    HG   LEU  66           HG       LEU  66   1.558  -1.578  -4.915
  519   1HD1  LEU  66          HD11      LEU  66  -0.338  -0.955  -7.208
  520   2HD1  LEU  66          HD12      LEU  66  -0.721  -1.903  -5.758
  521   3HD1  LEU  66          HD13      LEU  66  -0.310  -0.188  -5.608
  522   1HD2  LEU  66          HD21      LEU  66   0.939  -3.559  -6.258
  523   2HD2  LEU  66          HD22      LEU  66   1.416  -2.713  -7.743
  524   3HD2  LEU  66          HD23      LEU  66   2.635  -3.135  -6.519
  525    H    GLU  67           H        GLU  67   2.931   1.800  -4.736
  526    HA   GLU  67           HA       GLU  67   3.373   0.718  -1.999
  527   1HB   GLU  67          HB2       GLU  67   5.218   2.159  -2.553
  528   2HB   GLU  67          HB3       GLU  67   4.139   3.405  -3.200
  529   1HG   GLU  67          HG2       GLU  67   3.322   3.972  -1.033
  530   2HG   GLU  67          HG3       GLU  67   4.039   2.534  -0.295
  531    H    LEU  68           H        LEU  68   1.745   1.461  -0.508
  532    HA   LEU  68           HA       LEU  68  -0.756   2.363  -1.875
  533   1HB   LEU  68          HB2       LEU  68  -0.473   0.347   0.383
  534   2HB   LEU  68          HB3       LEU  68  -1.966   0.843  -0.397
  535    HG   LEU  68           HG       LEU  68   0.280  -0.754  -1.702
  536   1HD1  LEU  68          HD11      LEU  68  -1.271  -2.619  -1.664
  537   2HD1  LEU  68          HD12      LEU  68  -1.091  -1.995  -0.016
  538   3HD1  LEU  68          HD13      LEU  68  -2.546  -1.606  -0.953
  539   1HD2  LEU  68          HD21      LEU  68  -1.278  -1.057  -3.580
  540   2HD2  LEU  68          HD22      LEU  68  -2.391   0.127  -2.861
  541   3HD2  LEU  68          HD23      LEU  68  -0.757   0.609  -3.397
  542    H    SER  69           H        SER  69  -2.212   3.589  -0.623
  543    HA   SER  69           HA       SER  69  -1.065   5.491   1.081
  544   1HB   SER  69          HB2       SER  69  -3.969   4.634   0.826
  545   2HB   SER  69          HB3       SER  69  -3.385   6.202   1.436
  546    HG   SER  69           HG       SER  69  -3.955   6.314  -0.775
  547    H    ASN  70           H        ASN  70  -2.583   2.379   1.883
  548    HA   ASN  70           HA       ASN  70  -2.756   2.780   4.721
  549   1HB   ASN  70          HB2       ASN  70  -3.810   0.946   3.165
  550   2HB   ASN  70          HB3       ASN  70  -2.286   0.090   3.396
  551   1HD2  ASN  70          HD22      ASN  70  -1.774   0.480   6.180
  552   2HD2  ASN  70          HD21      ASN  70  -3.101  -0.213   7.083
  553    H    SER  71           H        SER  71  -0.023   2.113   2.569
  554    HA   SER  71           HA       SER  71   1.688   1.099   4.714
  555   1HB   SER  71          HB2       SER  71   2.511   1.957   1.919
  556   2HB   SER  71          HB3       SER  71   3.293   0.795   2.998
  557    HG   SER  71           HG       SER  71   1.190  -0.392   2.808
  558    H    THR  72           H        THR  72   1.260   4.165   2.786
  559    HA   THR  72           HA       THR  72   3.543   5.379   4.083
  560    HB   THR  72           HB       THR  72   2.756   7.397   2.775
  561    HG1  THR  72           HG1      THR  72   0.590   7.007   2.534
  562   1HG2  THR  72          HG21      THR  72   2.991   4.831   1.149
  563   2HG2  THR  72          HG22      THR  72   3.451   6.477   0.652
  564   3HG2  THR  72          HG23      THR  72   4.369   5.656   1.915
  565    H    GLN  73           H        GLN  73   0.019   5.589   4.512
  566    HA   GLN  73           HA       GLN  73  -1.314   6.822   5.830
  567   1HB   GLN  73          HB2       GLN  73   0.727   5.918   7.894
  568   2HB   GLN  73          HB3       GLN  73  -0.878   6.568   8.269
  569   1HG   GLN  73          HG2       GLN  73  -1.973   4.717   7.114
  570   2HG   GLN  73          HG3       GLN  73  -0.421   4.121   6.536
  571   1HE2  GLN  73          HE22      GLN  73  -0.323   2.135   7.484
  572   2HE2  GLN  73          HE21      GLN  73  -0.330   1.859   9.222
  Start of MODEL    7
    1   1H    THR   2          H1        THR   2   5.906  -3.039  -0.531
    2   2H    THR   2          H2        THR   2   5.657  -2.646   1.034
    3   3H    THR   2          H3        THR   2   5.423  -4.196   0.539
    4    HA   THR   2           HA       THR   2   3.339  -3.016   0.876
    5    HB   THR   2           HB       THR   2   2.834  -1.342  -1.074
    6    HG1  THR   2           HG1      THR   2   4.539  -0.950  -2.242
    7   1HG2  THR   2          HG21      THR   2   2.860  -0.720   1.321
    8   2HG2  THR   2          HG22      THR   2   4.625  -0.500   1.245
    9   3HG2  THR   2          HG23      THR   2   3.554   0.545   0.300
   10    H    VAL   3           H        VAL   3   4.034  -2.994  -2.704
   11    HA   VAL   3           HA       VAL   3   3.094  -5.791  -2.841
   12    HB   VAL   3           HB       VAL   3   2.038  -3.534  -4.590
   13   1HG1  VAL   3          HG11      VAL   3   0.561  -5.301  -5.542
   14   2HG1  VAL   3          HG12      VAL   3   2.262  -5.661  -5.820
   15   3HG1  VAL   3          HG13      VAL   3   1.387  -6.518  -4.536
   16   1HG2  VAL   3          HG21      VAL   3   0.572  -5.131  -2.452
   17   2HG2  VAL   3          HG22      VAL   3   0.896  -3.384  -2.456
   18   3HG2  VAL   3          HG23      VAL   3  -0.207  -4.066  -3.648
   19    H    SER   4           H        SER   4   4.517  -6.886  -4.112
   20    HA   SER   4           HA       SER   4   6.488  -5.403  -5.770
   21   1HB   SER   4          HB2       SER   4   7.091  -7.456  -3.606
   22   2HB   SER   4          HB3       SER   4   8.274  -6.600  -4.599
   23    HG   SER   4           HG       SER   4   7.985  -5.685  -2.489
   24    H    ILE   5           H        ILE   5   7.642  -6.678  -7.229
   25    HA   ILE   5           HA       ILE   5   6.240  -8.973  -8.374
   26    HB   ILE   5           HB       ILE   5   8.992  -7.766  -8.989
   27   1HG1  ILE   5          HG12      ILE   5   7.590  -7.094 -11.166
   28   2HG1  ILE   5          HG13      ILE   5   6.218  -7.163 -10.076
   29   1HG2  ILE   5          HG21      ILE   5   7.266  -9.679 -10.626
   30   2HG2  ILE   5          HG22      ILE   5   8.829  -8.994 -11.117
   31   3HG2  ILE   5          HG23      ILE   5   8.766 -10.104  -9.768
   32   1HD1  ILE   5          HD11      ILE   5   8.711  -5.425  -9.718
   33   2HD1  ILE   5          HD12      ILE   5   7.154  -4.889 -10.384
   34   3HD1  ILE   5          HD13      ILE   5   7.265  -5.377  -8.693
   35    H    GLN   6           H        GLN   6   7.080 -11.165  -8.221
   36    HA   GLN   6           HA       GLN   6   8.903 -11.607  -5.910
   37   1HB   GLN   6          HB2       GLN   6   7.461 -13.203  -4.968
   38   2HB   GLN   6          HB3       GLN   6   6.606 -11.693  -5.148
   39   1HG   GLN   6          HG2       GLN   6   6.263 -14.153  -6.920
   40   2HG   GLN   6          HG3       GLN   6   5.235 -13.703  -5.568
   41   1HE2  GLN   6          HE22      GLN   6   5.014 -10.768  -6.210
   42   2HE2  GLN   6          HE21      GLN   6   3.995 -10.751  -7.622
   43    H    MET   7           H        MET   7   9.435 -11.693  -8.797
   44    HA   MET   7           HA       MET   7  11.015 -14.091  -8.794
   45   1HB   MET   7          HB2       MET   7  10.232 -14.963 -10.925
   46   2HB   MET   7          HB3       MET   7   8.914 -15.008  -9.764
   47   1HG   MET   7          HG2       MET   7   9.278 -12.850 -11.879
   48   2HG   MET   7          HG3       MET   7   8.304 -14.291 -12.097
   49   1HE   MET   7          HE1       MET   7   6.024 -14.800 -10.612
   50   2HE   MET   7          HE2       MET   7   4.927 -13.413 -10.829
   51   3HE   MET   7          HE3       MET   7   5.886 -13.996 -12.196
   52    H    ALA   8           H        ALA   8  12.530 -13.938 -10.761
   53    HA   ALA   8           HA       ALA   8  13.177 -11.120 -11.373
   54   1HB   ALA   8          HB1       ALA   8  14.982 -12.677 -10.746
   55   2HB   ALA   8          HB2       ALA   8  14.561 -13.720 -12.131
   56   3HB   ALA   8          HB3       ALA   8  15.179 -12.077 -12.412
   57    H    GLY   9           H        GLY   9  12.934 -10.155 -13.415
   58   1HA   GLY   9          HA2       GLY   9  12.676 -11.537 -15.841
   59   2HA   GLY   9          HA3       GLY   9  11.039 -11.341 -15.220
   60    H    ASN  10           H        ASN  10  10.444  -9.941 -16.923
   61    HA   ASN  10           HA       ASN  10  11.393  -7.131 -16.612
   62   1HB   ASN  10          HB2       ASN  10  11.253  -8.766 -19.158
   63   2HB   ASN  10          HB3       ASN  10  10.768  -7.075 -19.193
   64   1HD2  ASN  10          HD22      ASN  10  13.459  -8.153 -17.039
   65   2HD2  ASN  10          HD21      ASN  10  14.698  -7.404 -18.021
   66    H    LEU  11           H        LEU  11   9.676  -5.738 -16.529
   67    HA   LEU  11           HA       LEU  11   7.159  -6.978 -15.857
   68   1HB   LEU  11          HB2       LEU  11   8.388  -4.949 -14.789
   69   2HB   LEU  11          HB3       LEU  11   7.785  -4.007 -16.136
   70    HG   LEU  11           HG       LEU  11   6.414  -3.717 -14.165
   71   1HD1  LEU  11          HD11      LEU  11   5.255  -3.671 -16.347
   72   2HD1  LEU  11          HD12      LEU  11   4.863  -5.399 -16.160
   73   3HD1  LEU  11          HD13      LEU  11   4.214  -4.269 -15.028
   74   1HD2  LEU  11          HD21      LEU  11   5.176  -5.462 -13.063
   75   2HD2  LEU  11          HD22      LEU  11   5.730  -6.690 -14.210
   76   3HD2  LEU  11          HD23      LEU  11   6.880  -5.929 -13.088
   77    H    TRP  12           H        TRP  12   5.572  -7.451 -17.333
   78    HA   TRP  12           HA       TRP  12   5.947  -6.741 -20.118
   79   1HB   TRP  12          HB2       TRP  12   5.038  -8.940 -19.187
   80   2HB   TRP  12          HB3       TRP  12   3.548  -8.086 -18.825
   81    HD1  TRP  12           HD1      TRP  12   5.808  -8.869 -21.820
   82    HE1  TRP  12           HE1      TRP  12   4.419  -9.153 -23.942
   83    HE3  TRP  12           HE3      TRP  12   1.195  -7.826 -19.882
   84    HZ2  TRP  12           HZ2      TRP  12   1.631  -8.894 -24.722
   85    HZ3  TRP  12           HZ3      TRP  12  -0.816  -7.884 -21.324
   86    HH2  TRP  12           HH2      TRP  12  -0.610  -8.396 -23.748
   87    H    LYS  13           H        LYS  13   3.227  -6.146 -17.774
   88    HA   LYS  13           HA       LYS  13   2.866  -3.433 -18.813
   89   1HB   LYS  13          HB2       LYS  13   0.785  -5.642 -19.133
   90   2HB   LYS  13          HB3       LYS  13   0.327  -3.950 -19.011
   91   1HG   LYS  13          HG2       LYS  13   1.913  -3.459 -20.932
   92   2HG   LYS  13          HG3       LYS  13   2.057  -5.207 -21.169
   93   1HD   LYS  13          HD2       LYS  13  -0.375  -5.369 -21.535
   94   2HD   LYS  13          HD3       LYS  13  -0.563  -3.633 -21.273
   95   1HE   LYS  13          HE2       LYS  13   1.251  -4.817 -23.422
   96   2HE   LYS  13          HE3       LYS  13  -0.452  -4.450 -23.709
   97   1HZ   LYS  13          HZ1       LYS  13   1.017  -2.646 -24.398
   98   2HZ   LYS  13          HZ2       LYS  13  -0.018  -2.144 -23.249
   99   3HZ   LYS  13          HZ3       LYS  13   1.553  -2.410 -22.870
  100    H    VAL  14           H        VAL  14   1.389  -2.178 -17.477
  101    HA   VAL  14           HA       VAL  14   0.880  -3.273 -14.761
  102    HB   VAL  14           HB       VAL  14   1.864  -0.458 -15.452
  103   1HG1  VAL  14          HG11      VAL  14   1.212  -1.785 -12.779
  104   2HG1  VAL  14          HG12      VAL  14   2.116  -0.272 -12.950
  105   3HG1  VAL  14          HG13      VAL  14   0.439  -0.337 -13.491
  106   1HG2  VAL  14          HG21      VAL  14   3.714  -2.057 -15.595
  107   2HG2  VAL  14          HG22      VAL  14   3.893  -1.051 -14.163
  108   3HG2  VAL  14          HG23      VAL  14   3.265  -2.705 -13.972
  109    H    HIS  15           H        HIS  15  -1.093  -2.561 -13.902
  110    HA   HIS  15           HA       HIS  15  -2.942  -1.229 -15.841
  111   1HB   HIS  15          HB2       HIS  15  -3.755  -3.270 -13.775
  112   2HB   HIS  15          HB3       HIS  15  -4.605  -2.782 -15.238
  113    HD1  HIS  15           HD1      HIS  15  -2.368  -3.378 -17.437
  114    HD2  HIS  15           HD2      HIS  15  -3.121  -5.732 -14.034
  115    HE1  HIS  15           HE1      HIS  15  -1.291  -5.654 -17.874
  116    H    VAL  16           H        VAL  16  -1.702  -1.199 -12.556
  117    HA   VAL  16           HA       VAL  16  -3.820   0.440 -11.441
  118    HB   VAL  16           HB       VAL  16  -2.084   0.871  -9.650
  119   1HG1  VAL  16          HG11      VAL  16  -2.851  -1.988 -10.321
  120   2HG1  VAL  16          HG12      VAL  16  -2.276  -1.431  -8.730
  121   3HG1  VAL  16          HG13      VAL  16  -3.803  -0.820  -9.389
  122   1HG2  VAL  16          HG21      VAL  16  -0.467  -1.334 -10.975
  123   2HG2  VAL  16          HG22      VAL  16  -0.051   0.398 -11.060
  124   3HG2  VAL  16          HG23      VAL  16  -0.104  -0.424  -9.497
  125    H    LYS  17           H        LYS  17  -3.456   2.601 -10.606
  126    HA   LYS  17           HA       LYS  17  -1.406   4.267 -11.762
  127   1HB   LYS  17          HB2       LYS  17  -2.982   5.987 -12.592
  128   2HB   LYS  17          HB3       LYS  17  -3.063   4.496 -13.526
  129   1HG   LYS  17          HG2       LYS  17  -5.154   3.849 -12.330
  130   2HG   LYS  17          HG3       LYS  17  -5.045   5.310 -11.347
  131   1HD   LYS  17          HD2       LYS  17  -6.670   5.661 -13.105
  132   2HD   LYS  17          HD3       LYS  17  -5.286   6.718 -13.346
  133   1HE   LYS  17          HE2       LYS  17  -5.969   5.871 -15.486
  134   2HE   LYS  17          HE3       LYS  17  -4.402   5.169 -15.094
  135   1HZ   LYS  17          HZ1       LYS  17  -5.944   3.537 -15.999
  136   2HZ   LYS  17          HZ2       LYS  17  -5.557   3.114 -14.475
  137   3HZ   LYS  17          HZ3       LYS  17  -7.015   3.791 -14.802
  138    H    ALA  18           H        ALA  18  -1.443   6.398 -10.519
  139    HA   ALA  18           HA       ALA  18  -1.818   5.994  -7.738
  140   1HB   ALA  18          HB1       ALA  18  -0.293   7.700  -8.654
  141   2HB   ALA  18          HB2       ALA  18  -1.681   8.612  -9.300
  142   3HB   ALA  18          HB3       ALA  18  -1.471   8.427  -7.546
  143    H    GLY  19           H        GLY  19  -3.527   6.267  -6.388
  144   1HA   GLY  19          HA2       GLY  19  -5.570   6.946  -5.610
  145   2HA   GLY  19          HA3       GLY  19  -5.910   7.771  -7.136
  146    H    ASP  20           H        ASP  20  -4.980   4.645  -8.044
  147    HA   ASP  20           HA       ASP  20  -7.697   3.770  -8.524
  148   1HB   ASP  20          HB2       ASP  20  -5.683   3.205  -9.961
  149   2HB   ASP  20          HB3       ASP  20  -5.129   2.150  -8.662
  150    H    GLN  21           H        GLN  21  -8.420   1.570  -7.736
  151    HA   GLN  21           HA       GLN  21  -7.799   1.149  -4.837
  152   1HB   GLN  21          HB2       GLN  21 -10.124   1.879  -5.198
  153   2HB   GLN  21          HB3       GLN  21 -10.322   0.701  -6.489
  154   1HG   GLN  21          HG2       GLN  21 -11.486  -0.190  -4.668
  155   2HG   GLN  21          HG3       GLN  21 -10.035  -1.155  -4.775
  156   1HE2  GLN  21          HE22      GLN  21  -8.904  -1.449  -2.781
  157   2HE2  GLN  21          HE21      GLN  21  -9.177  -0.432  -1.389
  158    H    ILE  22           H        ILE  22  -7.077  -0.873  -4.311
  159    HA   ILE  22           HA       ILE  22  -7.423  -3.054  -6.280
  160    HB   ILE  22           HB       ILE  22  -5.244  -3.883  -6.009
  161   1HG1  ILE  22          HG12      ILE  22  -4.838  -1.812  -3.821
  162   2HG1  ILE  22          HG13      ILE  22  -4.863  -3.573  -3.661
  163   1HG2  ILE  22          HG21      ILE  22  -4.883  -0.881  -6.354
  164   2HG2  ILE  22          HG22      ILE  22  -3.865  -2.167  -7.013
  165   3HG2  ILE  22          HG23      ILE  22  -5.510  -1.971  -7.607
  166   1HD1  ILE  22          HD11      ILE  22  -2.594  -2.895  -3.540
  167   2HD1  ILE  22          HD12      ILE  22  -2.789  -3.626  -5.146
  168   3HD1  ILE  22          HD13      ILE  22  -2.758  -1.858  -4.969
  169    H    GLU  23           H        GLU  23  -7.305  -5.190  -5.266
  170    HA   GLU  23           HA       GLU  23  -8.121  -5.302  -2.443
  171   1HB   GLU  23          HB2       GLU  23 -10.144  -5.061  -3.856
  172   2HB   GLU  23          HB3       GLU  23  -9.627  -6.452  -4.819
  173   1HG   GLU  23          HG2       GLU  23 -11.207  -7.383  -3.412
  174   2HG   GLU  23          HG3       GLU  23  -9.724  -7.776  -2.562
  175    H    LYS  24           H        LYS  24  -7.249  -7.260  -1.536
  176    HA   LYS  24           HA       LYS  24  -5.019  -8.416  -2.622
  177   1HB   LYS  24          HB2       LYS  24  -5.873  -8.637  -0.277
  178   2HB   LYS  24          HB3       LYS  24  -7.041  -9.840  -0.838
  179   1HG   LYS  24          HG2       LYS  24  -5.145 -11.286  -1.608
  180   2HG   LYS  24          HG3       LYS  24  -4.006 -10.063  -1.032
  181   1HD   LYS  24          HD2       LYS  24  -5.017 -10.355   1.303
  182   2HD   LYS  24          HD3       LYS  24  -6.003 -11.657   0.631
  183   1HE   LYS  24          HE2       LYS  24  -4.224 -12.831   1.557
  184   2HE   LYS  24          HE3       LYS  24  -3.773 -12.725  -0.146
  185   1HZ   LYS  24          HZ1       LYS  24  -2.360 -10.771   0.511
  186   2HZ   LYS  24          HZ2       LYS  24  -2.723 -11.068   2.075
  187   3HZ   LYS  24          HZ3       LYS  24  -1.898 -12.177   1.216
  188    H    GLY  25           H        GLY  25  -4.595  -9.643  -4.388
  189   1HA   GLY  25          HA2       GLY  25  -4.814 -11.559  -5.713
  190   2HA   GLY  25          HA3       GLY  25  -6.510 -11.722  -5.261
  191    H    GLN  26           H        GLN  26  -6.421  -8.499  -6.009
  192    HA   GLN  26           HA       GLN  26  -7.515  -8.754  -8.647
  193   1HB   GLN  26          HB2       GLN  26  -7.928  -6.908  -6.977
  194   2HB   GLN  26          HB3       GLN  26  -6.272  -6.328  -7.262
  195   1HG   GLN  26          HG2       GLN  26  -6.843  -5.869  -9.617
  196   2HG   GLN  26          HG3       GLN  26  -8.467  -6.522  -9.378
  197   1HE2  GLN  26          HE22      GLN  26  -6.731  -3.628  -9.472
  198   2HE2  GLN  26          HE21      GLN  26  -7.775  -2.635  -8.468
  199    H    GLU  27           H        GLU  27  -6.429  -8.705 -10.638
  200    HA   GLU  27           HA       GLU  27  -3.537  -8.939 -10.755
  201   1HB   GLU  27          HB2       GLU  27  -5.130 -10.017 -12.347
  202   2HB   GLU  27          HB3       GLU  27  -5.629  -8.421 -12.916
  203   1HG   GLU  27          HG2       GLU  27  -3.260  -8.009 -13.671
  204   2HG   GLU  27          HG3       GLU  27  -2.843  -9.642 -13.148
  205    H    VAL  28           H        VAL  28  -2.068  -7.291 -10.986
  206    HA   VAL  28           HA       VAL  28  -3.056  -4.527 -11.515
  207    HB   VAL  28           HB       VAL  28  -1.445  -3.763  -9.738
  208   1HG1  VAL  28          HG11      VAL  28  -2.996  -4.143  -7.892
  209   2HG1  VAL  28          HG12      VAL  28  -3.922  -3.862  -9.378
  210   3HG1  VAL  28          HG13      VAL  28  -3.750  -5.503  -8.740
  211   1HG2  VAL  28          HG21      VAL  28  -0.135  -5.888  -9.481
  212   2HG2  VAL  28          HG22      VAL  28  -0.806  -5.280  -7.951
  213   3HG2  VAL  28          HG23      VAL  28  -1.584  -6.635  -8.780
  214    H    ALA  29           H        ALA  29  -0.539  -6.955 -12.049
  215    HA   ALA  29           HA       ALA  29   0.296  -5.393 -14.336
  216   1HB   ALA  29          HB1       ALA  29   2.305  -6.107 -12.136
  217   2HB   ALA  29          HB2       ALA  29   2.738  -5.559 -13.757
  218   3HB   ALA  29          HB3       ALA  29   1.858  -4.477 -12.675
  219    H    ILE  30           H        ILE  30   2.108  -6.779 -15.445
  220    HA   ILE  30           HA       ILE  30   1.756  -9.697 -15.040
  221    HB   ILE  30           HB       ILE  30   1.401  -8.163 -17.652
  222   1HG1  ILE  30          HG12      ILE  30  -0.419 -10.210 -16.296
  223   2HG1  ILE  30          HG13      ILE  30  -0.630  -8.469 -16.199
  224   1HG2  ILE  30          HG21      ILE  30   1.664 -11.198 -17.304
  225   2HG2  ILE  30          HG22      ILE  30   1.323 -10.347 -18.828
  226   3HG2  ILE  30          HG23      ILE  30   2.881 -10.157 -18.065
  227   1HD1  ILE  30          HD11      ILE  30  -2.160  -9.292 -17.825
  228   2HD1  ILE  30          HD12      ILE  30  -0.916  -8.353 -18.669
  229   3HD1  ILE  30          HD13      ILE  30  -0.890 -10.136 -18.718
  230    H    LEU  31           H        LEU  31   3.659 -10.798 -15.525
  231    HA   LEU  31           HA       LEU  31   6.135  -9.181 -15.969
  232   1HB   LEU  31          HB2       LEU  31   5.912  -9.755 -13.679
  233   2HB   LEU  31          HB3       LEU  31   5.390 -11.406 -14.026
  234    HG   LEU  31           HG       LEU  31   7.623 -11.047 -12.993
  235   1HD1  LEU  31          HD11      LEU  31   8.755 -12.819 -14.168
  236   2HD1  LEU  31          HD12      LEU  31   7.028 -13.178 -14.039
  237   3HD1  LEU  31          HD13      LEU  31   7.703 -12.633 -15.582
  238   1HD2  LEU  31          HD21      LEU  31   8.209  -9.109 -14.570
  239   2HD2  LEU  31          HD22      LEU  31   9.467 -10.264 -14.103
  240   3HD2  LEU  31          HD23      LEU  31   8.712 -10.376 -15.706
  241    H    GLU  32           H        GLU  32   7.509 -10.025 -17.521
  242    HA   GLU  32           HA       GLU  32   6.736 -12.582 -18.840
  243   1HB   GLU  32          HB2       GLU  32   6.630 -10.562 -20.279
  244   2HB   GLU  32          HB3       GLU  32   8.320 -10.202 -19.899
  245   1HG   GLU  32          HG2       GLU  32   8.946 -12.446 -20.891
  246   2HG   GLU  32          HG3       GLU  32   7.255 -12.675 -21.338
  247    H    SER  33           H        SER  33   8.126 -14.234 -18.458
  248    HA   SER  33           HA       SER  33  10.951 -13.976 -18.268
  249   1HB   SER  33          HB2       SER  33  10.176 -13.125 -15.947
  250   2HB   SER  33          HB3       SER  33   9.620 -14.773 -15.638
  251    HG   SER  33           HG       SER  33  11.807 -14.122 -14.957
  252    H    MET  34           H        MET  34  11.855 -16.241 -17.727
  253    HA   MET  34           HA       MET  34  11.932 -18.460 -18.235
  254   1HB   MET  34          HB2       MET  34   9.182 -18.461 -16.930
  255   2HB   MET  34          HB3       MET  34  10.253 -19.848 -17.089
  256   1HG   MET  34          HG2       MET  34  11.852 -18.949 -15.577
  257   2HG   MET  34          HG3       MET  34  11.108 -17.354 -15.572
  258   1HE   MET  34          HE1       MET  34   8.124 -17.540 -15.090
  259   2HE   MET  34          HE2       MET  34   8.025 -17.618 -13.320
  260   3HE   MET  34          HE3       MET  34   9.208 -16.546 -14.093
  261    H    LYS  35           H        LYS  35  10.985 -16.796 -20.386
  262    HA   LYS  35           HA       LYS  35   9.893 -16.714 -22.347
  263   1HB   LYS  35          HB2       LYS  35  10.168 -19.740 -22.289
  264   2HB   LYS  35          HB3       LYS  35   9.848 -18.746 -23.714
  265   1HG   LYS  35          HG2       LYS  35  12.014 -17.551 -23.354
  266   2HG   LYS  35          HG3       LYS  35  12.387 -18.658 -22.026
  267   1HD   LYS  35          HD2       LYS  35  11.910 -19.469 -24.927
  268   2HD   LYS  35          HD3       LYS  35  13.490 -19.284 -24.151
  269   1HE   LYS  35          HE2       LYS  35  12.894 -21.064 -22.512
  270   2HE   LYS  35          HE3       LYS  35  11.336 -21.281 -23.320
  271   1HZ   LYS  35          HZ1       LYS  35  12.950 -22.903 -24.070
  272   2HZ   LYS  35          HZ2       LYS  35  12.541 -21.943 -25.320
  273   3HZ   LYS  35          HZ3       LYS  35  13.980 -21.746 -24.571
  274    H    MET  36           H        MET  36   8.192 -16.632 -20.046
  275    HA   MET  36           HA       MET  36   5.598 -17.425 -21.213
  276   1HB   MET  36          HB2       MET  36   6.674 -18.082 -18.427
  277   2HB   MET  36          HB3       MET  36   4.954 -18.086 -18.804
  278   1HG   MET  36          HG2       MET  36   7.010 -19.839 -20.186
  279   2HG   MET  36          HG3       MET  36   5.972 -20.332 -18.854
  280   1HE   MET  36          HE1       MET  36   5.269 -22.439 -20.305
  281   2HE   MET  36          HE2       MET  36   4.580 -22.326 -21.939
  282   3HE   MET  36          HE3       MET  36   6.271 -21.860 -21.656
  283    H    GLU  37           H        GLU  37   3.860 -16.373 -19.740
  284    HA   GLU  37           HA       GLU  37   4.690 -13.707 -18.727
  285   1HB   GLU  37          HB2       GLU  37   2.317 -14.452 -20.477
  286   2HB   GLU  37          HB3       GLU  37   2.366 -12.977 -19.499
  287   1HG   GLU  37          HG2       GLU  37   4.210 -12.078 -20.728
  288   2HG   GLU  37          HG3       GLU  37   4.540 -13.620 -21.521
  289    H    ILE  38           H        ILE  38   3.792 -13.272 -16.736
  290    HA   ILE  38           HA       ILE  38   2.047 -15.321 -15.477
  291    HB   ILE  38           HB       ILE  38   4.604 -14.127 -14.295
  292   1HG1  ILE  38          HG12      ILE  38   5.202 -16.757 -14.356
  293   2HG1  ILE  38          HG13      ILE  38   4.161 -16.731 -15.766
  294   1HG2  ILE  38          HG21      ILE  38   4.255 -15.817 -12.510
  295   2HG2  ILE  38          HG22      ILE  38   2.918 -14.679 -12.598
  296   3HG2  ILE  38          HG23      ILE  38   2.737 -16.315 -13.278
  297   1HD1  ILE  38          HD11      ILE  38   6.733 -15.160 -15.283
  298   2HD1  ILE  38          HD12      ILE  38   6.468 -16.459 -16.455
  299   3HD1  ILE  38          HD13      ILE  38   5.708 -14.881 -16.699
  300    HA   PRO  39           HA       PRO  39   0.184 -11.365 -14.329
  301   1HB   PRO  39          HB2       PRO  39  -1.731 -12.193 -12.559
  302   2HB   PRO  39          HB3       PRO  39  -1.858 -12.453 -14.326
  303   1HG   PRO  39          HG2       PRO  39  -0.896 -14.416 -12.226
  304   2HG   PRO  39          HG3       PRO  39  -2.080 -14.694 -13.544
  305   1HD   PRO  39          HD2       PRO  39   0.548 -15.396 -13.773
  306   2HD   PRO  39          HD3       PRO  39  -0.380 -14.788 -15.177
  307    H    ILE  40           H        ILE  40   0.312  -9.902 -12.606
  308    HA   ILE  40           HA       ILE  40   1.581 -10.809 -10.067
  309    HB   ILE  40           HB       ILE  40   1.983  -8.186 -11.532
  310   1HG1  ILE  40          HG12      ILE  40   3.237  -9.932 -12.693
  311   2HG1  ILE  40          HG13      ILE  40   4.270  -8.733 -11.941
  312   1HG2  ILE  40          HG21      ILE  40   3.729  -7.772  -9.752
  313   2HG2  ILE  40          HG22      ILE  40   2.064  -7.795  -9.152
  314   3HG2  ILE  40          HG23      ILE  40   3.115  -9.196  -8.893
  315   1HD1  ILE  40          HD11      ILE  40   5.130 -11.031 -11.678
  316   2HD1  ILE  40          HD12      ILE  40   4.830 -10.271 -10.113
  317   3HD1  ILE  40          HD13      ILE  40   3.690 -11.478 -10.752
  318    H    VAL  41           H        VAL  41   0.295 -10.417  -8.405
  319    HA   VAL  41           HA       VAL  41  -2.183  -8.861  -8.855
  320    HB   VAL  41           HB       VAL  41  -3.150 -10.460  -7.142
  321   1HG1  VAL  41          HG11      VAL  41  -3.736 -10.691  -9.465
  322   2HG1  VAL  41          HG12      VAL  41  -2.248 -11.610  -9.813
  323   3HG1  VAL  41          HG13      VAL  41  -3.517 -12.286  -8.761
  324   1HG2  VAL  41          HG21      VAL  41  -0.741 -12.199  -7.813
  325   2HG2  VAL  41          HG22      VAL  41  -0.986 -11.362  -6.257
  326   3HG2  VAL  41          HG23      VAL  41  -2.121 -12.613  -6.784
  327    H    ALA  42           H        ALA  42  -3.160  -7.910  -7.008
  328    HA   ALA  42           HA       ALA  42  -1.448  -6.375  -5.332
  329   1HB   ALA  42          HB1       ALA  42  -4.406  -7.075  -5.143
  330   2HB   ALA  42          HB2       ALA  42  -3.606  -5.786  -4.227
  331   3HB   ALA  42          HB3       ALA  42  -3.717  -5.687  -6.001
  332    H    ASP  43           H        ASP  43  -0.220  -7.258  -3.745
  333    HA   ASP  43           HA       ASP  43  -0.711  -9.766  -2.470
  334   1HB   ASP  43          HB2       ASP  43   1.519  -8.724  -2.635
  335   2HB   ASP  43          HB3       ASP  43   0.993  -7.400  -1.591
  336    H    ARG  44           H        ARG  44  -1.956  -6.557  -1.859
  337    HA   ARG  44           HA       ARG  44  -3.726  -7.526   0.216
  338   1HB   ARG  44          HB2       ARG  44  -3.102  -5.828   1.861
  339   2HB   ARG  44          HB3       ARG  44  -1.762  -6.941   1.572
  340   1HG   ARG  44          HG2       ARG  44  -0.781  -5.190  -0.025
  341   2HG   ARG  44          HG3       ARG  44  -2.028  -4.076   0.547
  342   1HD   ARG  44          HD2       ARG  44   0.107  -5.425   2.257
  343   2HD   ARG  44          HD3       ARG  44   0.152  -3.771   1.665
  344    HE   ARG  44           HE       ARG  44  -1.578  -3.118   3.124
  345   1HH1  ARG  44          HH21      ARG  44  -0.660  -6.511   3.725
  346   2HH1  ARG  44          HH22      ARG  44  -1.473  -6.582   5.244
  347   1HH2  ARG  44          HH11      ARG  44  -2.584  -3.203   5.060
  348   2HH2  ARG  44          HH12      ARG  44  -2.622  -4.643   6.041
  349    H    SER  45           H        SER  45  -5.468  -5.943   0.566
  350    HA   SER  45           HA       SER  45  -6.114  -4.392  -1.757
  351   1HB   SER  45          HB2       SER  45  -7.463  -4.276   0.970
  352   2HB   SER  45          HB3       SER  45  -8.182  -4.030  -0.622
  353    HG   SER  45           HG       SER  45  -8.725  -6.065  -0.157
  354    H    GLY  46           H        GLY  46  -6.544  -2.039  -1.783
  355   1HA   GLY  46          HA2       GLY  46  -6.251  -0.234   0.247
  356   2HA   GLY  46          HA3       GLY  46  -4.587  -0.456  -0.304
  357    H    ILE  47           H        ILE  47  -5.185   1.974  -0.611
  358    HA   ILE  47           HA       ILE  47  -6.136   2.438  -3.394
  359    HB   ILE  47           HB       ILE  47  -5.525   4.351  -1.107
  360   1HG1  ILE  47          HG12      ILE  47  -7.692   3.235  -0.830
  361   2HG1  ILE  47          HG13      ILE  47  -7.867   4.953  -1.135
  362   1HG2  ILE  47          HG21      ILE  47  -6.383   6.152  -2.638
  363   2HG2  ILE  47          HG22      ILE  47  -4.826   5.476  -3.112
  364   3HG2  ILE  47          HG23      ILE  47  -6.294   4.989  -3.980
  365   1HD1  ILE  47          HD11      ILE  47  -8.503   4.479  -3.503
  366   2HD1  ILE  47          HD12      ILE  47  -8.339   2.737  -3.176
  367   3HD1  ILE  47          HD13      ILE  47  -9.571   3.693  -2.336
  368    H    VAL  48           H        VAL  48  -4.639   2.947  -4.916
  369    HA   VAL  48           HA       VAL  48  -1.845   2.365  -4.457
  370    HB   VAL  48           HB       VAL  48  -3.290   3.606  -6.816
  371   1HG1  VAL  48          HG11      VAL  48  -1.316   2.792  -8.119
  372   2HG1  VAL  48          HG12      VAL  48  -0.879   4.053  -6.966
  373   3HG1  VAL  48          HG13      VAL  48  -0.499   2.368  -6.600
  374   1HG2  VAL  48          HG21      VAL  48  -4.218   1.420  -6.383
  375   2HG2  VAL  48          HG22      VAL  48  -3.112   1.261  -7.736
  376   3HG2  VAL  48          HG23      VAL  48  -2.624   0.716  -6.113
  377    H    LYS  49           H        LYS  49  -0.490   3.750  -3.418
  378    HA   LYS  49           HA       LYS  49  -1.029   6.651  -3.328
  379   1HB   LYS  49          HB2       LYS  49  -0.136   5.615  -1.323
  380   2HB   LYS  49          HB3       LYS  49   1.221   4.922  -2.219
  381   1HG   LYS  49          HG2       LYS  49   2.096   7.183  -2.676
  382   2HG   LYS  49          HG3       LYS  49   0.729   7.899  -1.792
  383   1HD   LYS  49          HD2       LYS  49   1.445   6.838   0.278
  384   2HD   LYS  49          HD3       LYS  49   2.659   5.877  -0.582
  385   1HE   LYS  49          HE2       LYS  49   3.798   8.028  -1.265
  386   2HE   LYS  49          HE3       LYS  49   2.674   8.900  -0.208
  387   1HZ   LYS  49          HZ1       LYS  49   4.560   6.776   0.651
  388   2HZ   LYS  49          HZ2       LYS  49   4.754   8.391   0.922
  389   3HZ   LYS  49          HZ3       LYS  49   3.519   7.579   1.642
  390    H    GLU  50           H        GLU  50   1.489   4.345  -4.643
  391    HA   GLU  50           HA       GLU  50   1.869   6.157  -6.922
  392   1HB   GLU  50          HB2       GLU  50   3.240   7.159  -5.054
  393   2HB   GLU  50          HB3       GLU  50   4.178   5.661  -4.980
  394   1HG   GLU  50          HG2       GLU  50   4.984   5.993  -7.245
  395   2HG   GLU  50          HG3       GLU  50   3.868   7.338  -7.508
  396    H    VAL  51           H        VAL  51   2.472   4.992  -8.683
  397    HA   VAL  51           HA       VAL  51   3.035   2.117  -8.410
  398    HB   VAL  51           HB       VAL  51   2.761   3.879 -10.890
  399   1HG1  VAL  51          HG11      VAL  51   2.267   1.773 -12.051
  400   2HG1  VAL  51          HG12      VAL  51   3.885   1.725 -11.355
  401   3HG1  VAL  51          HG13      VAL  51   2.554   0.848 -10.558
  402   1HG2  VAL  51          HG21      VAL  51   0.456   2.904 -11.061
  403   2HG2  VAL  51          HG22      VAL  51   0.660   2.209  -9.437
  404   3HG2  VAL  51          HG23      VAL  51   0.635   3.970  -9.672
  405    H    LYS  52           H        LYS  52   5.075   1.208  -8.928
  406    HA   LYS  52           HA       LYS  52   7.331   3.178  -8.974
  407   1HB   LYS  52          HB2       LYS  52   7.148   0.445  -7.653
  408   2HB   LYS  52          HB3       LYS  52   8.523   1.535  -7.565
  409   1HG   LYS  52          HG2       LYS  52   5.771   2.129  -6.400
  410   2HG   LYS  52          HG3       LYS  52   7.147   1.472  -5.521
  411   1HD   LYS  52          HD2       LYS  52   8.439   3.553  -6.047
  412   2HD   LYS  52          HD3       LYS  52   6.960   4.238  -6.791
  413   1HE   LYS  52          HE2       LYS  52   5.731   3.974  -4.709
  414   2HE   LYS  52          HE3       LYS  52   7.083   3.115  -3.963
  415   1HZ   LYS  52          HZ1       LYS  52   7.094   5.973  -4.738
  416   2HZ   LYS  52          HZ2       LYS  52   6.966   5.343  -3.218
  417   3HZ   LYS  52          HZ3       LYS  52   8.366   5.162  -4.063
  418    H    LYS  53           H        LYS  53   5.931   1.278 -11.205
  419    HA   LYS  53           HA       LYS  53   8.480   0.670 -12.523
  420   1HB   LYS  53          HB2       LYS  53   6.287  -1.414 -12.071
  421   2HB   LYS  53          HB3       LYS  53   7.607  -1.624 -13.207
  422   1HG   LYS  53          HG2       LYS  53   7.955  -1.323 -10.207
  423   2HG   LYS  53          HG3       LYS  53   7.992  -2.835 -11.104
  424   1HD   LYS  53          HD2       LYS  53   9.952  -2.166 -12.361
  425   2HD   LYS  53          HD3       LYS  53   9.952  -0.553 -11.662
  426   1HE   LYS  53          HE2       LYS  53  10.317  -3.101 -10.052
  427   2HE   LYS  53          HE3       LYS  53  11.629  -2.094 -10.667
  428   1HZ   LYS  53          HZ1       LYS  53  10.702  -0.262  -9.317
  429   2HZ   LYS  53          HZ2       LYS  53   9.589  -1.309  -8.686
  430   3HZ   LYS  53          HZ3       LYS  53  11.174  -1.589  -8.424
  431    H    LYS  54           H        LYS  54   7.851  -0.296 -14.796
  432    HA   LYS  54           HA       LYS  54   5.580   1.024 -16.036
  433   1HB   LYS  54          HB2       LYS  54   6.953   2.328 -17.599
  434   2HB   LYS  54          HB3       LYS  54   7.222   2.865 -15.945
  435   1HG   LYS  54          HG2       LYS  54   9.360   1.579 -15.868
  436   2HG   LYS  54          HG3       LYS  54   9.086   1.030 -17.530
  437   1HD   LYS  54          HD2       LYS  54   9.123   3.381 -18.317
  438   2HD   LYS  54          HD3       LYS  54   9.411   3.930 -16.649
  439   1HE   LYS  54          HE2       LYS  54  11.511   2.596 -16.581
  440   2HE   LYS  54          HE3       LYS  54  11.221   2.049 -18.237
  441   1HZ   LYS  54          HZ1       LYS  54  12.761   3.906 -18.173
  442   2HZ   LYS  54          HZ2       LYS  54  11.411   4.358 -18.963
  443   3HZ   LYS  54          HZ3       LYS  54  11.677   4.865 -17.430
  444    H    GLU  55           H        GLU  55   5.646   0.470 -18.432
  445    HA   GLU  55           HA       GLU  55   5.935  -2.334 -18.811
  446   1HB   GLU  55          HB2       GLU  55   5.811  -0.102 -20.899
  447   2HB   GLU  55          HB3       GLU  55   5.464  -1.812 -21.174
  448   1HG   GLU  55          HG2       GLU  55   3.514  -1.651 -19.639
  449   2HG   GLU  55          HG3       GLU  55   3.859   0.043 -19.352
  450    H    GLY  56           H        GLY  56   7.620  -3.558 -19.491
  451   1HA   GLY  56          HA2       GLY  56   9.483  -4.183 -20.624
  452   2HA   GLY  56          HA3       GLY  56   9.732  -2.522 -21.181
  453    H    ASP  57           H        ASP  57   9.426  -2.309 -17.806
  454    HA   ASP  57           HA       ASP  57  12.275  -1.834 -17.551
  455   1HB   ASP  57          HB2       ASP  57  10.481  -0.535 -16.364
  456   2HB   ASP  57          HB3       ASP  57  10.195  -1.946 -15.340
  457    H    PHE  58           H        PHE  58  13.667  -2.892 -16.010
  458    HA   PHE  58           HA       PHE  58  13.424  -5.829 -15.936
  459   1HB   PHE  58          HB2       PHE  58  15.619  -4.771 -16.263
  460   2HB   PHE  58          HB3       PHE  58  15.429  -3.855 -14.777
  461    HD1  PHE  58           HD1      PHE  58  16.050  -7.238 -16.190
  462    HD2  PHE  58           HD2      PHE  58  15.851  -4.859 -12.594
  463    HE1  PHE  58           HE1      PHE  58  17.188  -9.043 -14.931
  464    HE2  PHE  58           HE2      PHE  58  17.003  -6.665 -11.342
  465    HZ   PHE  58           HZ       PHE  58  17.693  -8.751 -12.515
  466    H    VAL  59           H        VAL  59  12.999  -7.038 -14.016
  467    HA   VAL  59           HA       VAL  59  12.476  -5.584 -11.522
  468    HB   VAL  59           HB       VAL  59  10.325  -6.899 -11.236
  469   1HG1  VAL  59          HG11      VAL  59  10.410  -4.480 -11.581
  470   2HG1  VAL  59          HG12      VAL  59  10.267  -4.705 -13.338
  471   3HG1  VAL  59          HG13      VAL  59   8.942  -5.192 -12.263
  472   1HG2  VAL  59          HG21      VAL  59   9.036  -7.509 -13.199
  473   2HG2  VAL  59          HG22      VAL  59  10.366  -7.052 -14.278
  474   3HG2  VAL  59          HG23      VAL  59  10.553  -8.430 -13.169
  475    H    ASN  60           H        ASN  60  12.197  -7.082  -9.686
  476    HA   ASN  60           HA       ASN  60  13.422  -9.697 -10.098
  477   1HB   ASN  60          HB2       ASN  60  15.093  -7.539  -9.560
  478   2HB   ASN  60          HB3       ASN  60  14.766  -8.177  -7.948
  479   1HD2  ASN  60          HD22      ASN  60  15.532  -9.273 -11.303
  480   2HD2  ASN  60          HD21      ASN  60  16.613 -10.563 -10.817
  481    H    GLU  61           H        GLU  61  13.644 -10.878  -7.995
  482    HA   GLU  61           HA       GLU  61  11.072 -11.018  -6.766
  483   1HB   GLU  61          HB2       GLU  61  12.508 -12.954  -7.117
  484   2HB   GLU  61          HB3       GLU  61  13.778 -12.266  -6.114
  485   1HG   GLU  61          HG2       GLU  61  12.172 -12.355  -4.149
  486   2HG   GLU  61          HG3       GLU  61  10.984 -13.115  -5.206
  487    H    GLY  62           H        GLY  62  10.322  -9.459  -5.458
  488   1HA   GLY  62          HA2       GLY  62  10.200  -8.501  -3.311
  489   2HA   GLY  62          HA3       GLY  62  11.964  -8.496  -3.179
  490    H    ASP  63           H        ASP  63  11.242  -7.443  -6.333
  491    HA   ASP  63           HA       ASP  63  11.958  -4.700  -5.647
  492   1HB   ASP  63          HB2       ASP  63  12.764  -6.006  -7.671
  493   2HB   ASP  63          HB3       ASP  63  11.138  -5.850  -8.341
  494    H    VAL  64           H        VAL  64  10.513  -3.021  -5.389
  495    HA   VAL  64           HA       VAL  64   7.794  -3.691  -4.901
  496    HB   VAL  64           HB       VAL  64   9.062  -0.928  -5.092
  497   1HG1  VAL  64          HG11      VAL  64   6.574  -1.923  -3.623
  498   2HG1  VAL  64          HG12      VAL  64   7.266  -0.294  -3.481
  499   3HG1  VAL  64          HG13      VAL  64   6.603  -0.833  -5.024
  500   1HG2  VAL  64          HG21      VAL  64  10.340  -2.275  -3.479
  501   2HG2  VAL  64          HG22      VAL  64   9.325  -1.127  -2.611
  502   3HG2  VAL  64          HG23      VAL  64   8.835  -2.833  -2.717
  503    H    LEU  65           H        LEU  65   6.034  -3.605  -6.153
  504    HA   LEU  65           HA       LEU  65   6.193  -2.614  -8.939
  505   1HB   LEU  65          HB2       LEU  65   5.087  -4.800  -8.606
  506   2HB   LEU  65          HB3       LEU  65   4.033  -4.106  -7.384
  507    HG   LEU  65           HG       LEU  65   3.001  -2.624  -9.124
  508   1HD1  LEU  65          HD11      LEU  65   4.769  -4.164 -11.067
  509   2HD1  LEU  65          HD12      LEU  65   3.416  -3.095 -11.514
  510   3HD1  LEU  65          HD13      LEU  65   4.828  -2.419 -10.716
  511   1HD2  LEU  65          HD21      LEU  65   2.041  -4.843  -8.550
  512   2HD2  LEU  65          HD22      LEU  65   1.709  -4.347 -10.214
  513   3HD2  LEU  65          HD23      LEU  65   2.971  -5.558  -9.883
  514    H    LEU  66           H        LEU  66   4.448  -2.073  -5.778
  515    HA   LEU  66           HA       LEU  66   4.191   0.723  -6.495
  516   1HB   LEU  66          HB2       LEU  66   1.843   0.966  -6.414
  517   2HB   LEU  66          HB3       LEU  66   2.255  -0.091  -7.739
  518    HG   LEU  66           HG       LEU  66   1.376  -1.280  -5.077
  519   1HD1  LEU  66          HD11      LEU  66  -0.949  -1.213  -5.981
  520   2HD1  LEU  66          HD12      LEU  66  -0.289   0.371  -5.555
  521   3HD1  LEU  66          HD13      LEU  66  -0.396  -0.118  -7.259
  522   1HD2  LEU  66          HD21      LEU  66   0.430  -3.041  -6.545
  523   2HD2  LEU  66          HD22      LEU  66   0.994  -2.170  -7.981
  524   3HD2  LEU  66          HD23      LEU  66   2.160  -2.858  -6.826
  525    H    GLU  67           H        GLU  67   3.143   2.005  -4.850
  526    HA   GLU  67           HA       GLU  67   3.474   0.956  -2.088
  527   1HB   GLU  67          HB2       GLU  67   5.199   2.599  -2.904
  528   2HB   GLU  67          HB3       GLU  67   3.901   3.783  -3.142
  529   1HG   GLU  67          HG2       GLU  67   3.384   3.546  -0.668
  530   2HG   GLU  67          HG3       GLU  67   4.805   2.504  -0.530
  531    H    LEU  68           H        LEU  68   1.843   1.749  -0.587
  532    HA   LEU  68           HA       LEU  68  -0.721   2.514  -1.913
  533   1HB   LEU  68          HB2       LEU  68  -0.268   0.499   0.326
  534   2HB   LEU  68          HB3       LEU  68  -1.824   0.959  -0.353
  535    HG   LEU  68           HG       LEU  68   0.376  -0.579  -1.794
  536   1HD1  LEU  68          HD11      LEU  68  -2.403  -1.422  -0.860
  537   2HD1  LEU  68          HD12      LEU  68  -1.224  -2.438  -1.704
  538   3HD1  LEU  68          HD13      LEU  68  -0.872  -1.859  -0.068
  539   1HD2  LEU  68          HD21      LEU  68  -2.384   0.236  -2.795
  540   2HD2  LEU  68          HD22      LEU  68  -0.808   0.824  -3.389
  541   3HD2  LEU  68          HD23      LEU  68  -1.237  -0.867  -3.599
  542    H    SER  69           H        SER  69  -2.195   3.644  -0.658
  543    HA   SER  69           HA       SER  69  -1.209   5.236   1.575
  544   1HB   SER  69          HB2       SER  69  -4.004   5.012   0.395
  545   2HB   SER  69          HB3       SER  69  -3.363   6.330   1.393
  546    HG   SER  69           HG       SER  69  -3.321   6.880  -0.808
  547    H    ASN  70           H        ASN  70  -0.921   2.606   2.310
  548    HA   ASN  70           HA       ASN  70  -3.173   1.192   3.243
  549   1HB   ASN  70          HB2       ASN  70  -0.934   0.202   2.852
  550   2HB   ASN  70          HB3       ASN  70  -0.294   1.070   4.253
  551   1HD2  ASN  70          HD22      ASN  70  -1.035   0.389   6.446
  552   2HD2  ASN  70          HD21      ASN  70  -1.704  -1.208   6.642
  553    H    SER  71           H        SER  71  -1.201   3.638   4.893
  554    HA   SER  71           HA       SER  71  -2.961   3.549   7.287
  555   1HB   SER  71          HB2       SER  71   0.074   3.777   7.354
  556   2HB   SER  71          HB3       SER  71  -1.030   3.585   8.724
  557    HG   SER  71           HG       SER  71  -0.014   1.635   8.218
  558    H    THR  72           H        THR  72  -2.974   5.584   8.461
  559    HA   THR  72           HA       THR  72  -2.969   7.931   6.954
  560    HB   THR  72           HB       THR  72  -2.521   7.748   9.959
  561    HG1  THR  72           HG1      THR  72  -4.669   7.314  10.190
  562   1HG2  THR  72          HG21      THR  72  -4.173   9.659   8.235
  563   2HG2  THR  72          HG22      THR  72  -4.048   9.704  10.009
  564   3HG2  THR  72          HG23      THR  72  -2.622  10.035   9.017
  565    H    GLN  73           H        GLN  73  -1.423   9.499   6.509
  566    HA   GLN  73           HA       GLN  73   1.221   9.530   7.659
  567   1HB   GLN  73          HB2       GLN  73   2.379   8.963   5.548
  568   2HB   GLN  73          HB3       GLN  73   1.478   7.597   6.189
  569   1HG   GLN  73          HG2       GLN  73  -0.400   8.239   4.518
  570   2HG   GLN  73          HG3       GLN  73   0.787   9.319   3.782
  571   1HE2  GLN  73          HE22      GLN  73  -0.137   5.974   4.379
  572   2HE2  GLN  73          HE21      GLN  73   1.007   5.242   3.248
  Start of MODEL    8
    1   1H    THR   2          H1        THR   2   2.718  -2.122   1.110
    2   2H    THR   2          H2        THR   2   4.230  -2.590   1.538
    3   3H    THR   2          H3        THR   2   3.888  -0.996   1.403
    4    HA   THR   2           HA       THR   2   3.607  -1.192  -0.963
    5    HB   THR   2           HB       THR   2   5.979  -2.203  -1.472
    6    HG1  THR   2           HG1      THR   2   7.285  -2.424   0.279
    7   1HG2  THR   2          HG21      THR   2   5.566   0.206  -1.438
    8   2HG2  THR   2          HG22      THR   2   5.685   0.233   0.340
    9   3HG2  THR   2          HG23      THR   2   7.100  -0.170  -0.651
   10    H    VAL   3           H        VAL   3   4.006  -2.618  -2.919
   11    HA   VAL   3           HA       VAL   3   3.595  -5.506  -2.408
   12    HB   VAL   3           HB       VAL   3   2.170  -3.970  -4.602
   13   1HG1  VAL   3          HG11      VAL   3   2.606  -6.338  -5.144
   14   2HG1  VAL   3          HG12      VAL   3   1.849  -6.832  -3.612
   15   3HG1  VAL   3          HG13      VAL   3   0.885  -6.065  -4.899
   16   1HG2  VAL   3          HG21      VAL   3   1.057  -3.302  -2.550
   17   2HG2  VAL   3          HG22      VAL   3   0.030  -4.438  -3.423
   18   3HG2  VAL   3          HG23      VAL   3   0.958  -4.995  -2.009
   19    H    SER   4           H        SER   4   4.793  -6.745  -3.960
   20    HA   SER   4           HA       SER   4   6.775  -5.257  -5.619
   21   1HB   SER   4          HB2       SER   4   7.317  -7.412  -3.539
   22   2HB   SER   4          HB3       SER   4   8.536  -6.555  -4.486
   23    HG   SER   4           HG       SER   4   8.258  -5.731  -2.326
   24    H    ILE   5           H        ILE   5   8.038  -6.646  -6.989
   25    HA   ILE   5           HA       ILE   5   6.530  -8.913  -8.123
   26    HB   ILE   5           HB       ILE   5   9.273  -7.824  -8.928
   27   1HG1  ILE   5          HG12      ILE   5   7.746  -6.992 -10.976
   28   2HG1  ILE   5          HG13      ILE   5   6.492  -6.925  -9.750
   29   1HG2  ILE   5          HG21      ILE   5   8.790  -8.980 -11.067
   30   2HG2  ILE   5          HG22      ILE   5   8.793 -10.107  -9.733
   31   3HG2  ILE   5          HG23      ILE   5   7.243  -9.563 -10.408
   32   1HD1  ILE   5          HD11      ILE   5   7.683  -4.765 -10.163
   33   2HD1  ILE   5          HD12      ILE   5   7.847  -5.279  -8.483
   34   3HD1  ILE   5          HD13      ILE   5   9.198  -5.499  -9.602
   35    H    GLN   6           H        GLN   6   7.503 -11.058  -8.080
   36    HA   GLN   6           HA       GLN   6   9.292 -11.553  -5.751
   37   1HB   GLN   6          HB2       GLN   6   7.810 -13.271  -4.998
   38   2HB   GLN   6          HB3       GLN   6   6.924 -11.765  -5.141
   39   1HG   GLN   6          HG2       GLN   6   6.797 -14.088  -7.124
   40   2HG   GLN   6          HG3       GLN   6   5.615 -13.735  -5.872
   41   1HE2  GLN   6          HE22      GLN   6   4.199 -11.832  -6.134
   42   2HE2  GLN   6          HE21      GLN   6   4.030 -11.094  -7.707
   43    H    MET   7           H        MET   7   9.628 -11.619  -8.847
   44    HA   MET   7           HA       MET   7  11.339 -13.937  -8.892
   45   1HB   MET   7          HB2       MET   7  10.328 -14.918 -10.944
   46   2HB   MET   7          HB3       MET   7   9.275 -15.061  -9.535
   47   1HG   MET   7          HG2       MET   7   7.986 -13.089 -10.302
   48   2HG   MET   7          HG3       MET   7   8.962 -13.037 -11.770
   49   1HE   MET   7          HE1       MET   7   5.918 -13.030 -11.926
   50   2HE   MET   7          HE2       MET   7   5.052 -14.578 -11.886
   51   3HE   MET   7          HE3       MET   7   5.732 -13.912 -10.393
   52    H    ALA   8           H        ALA   8  12.740 -13.813 -10.840
   53    HA   ALA   8           HA       ALA   8  13.244 -11.046 -11.658
   54   1HB   ALA   8          HB1       ALA   8  15.093 -12.585 -11.109
   55   2HB   ALA   8          HB2       ALA   8  14.591 -13.658 -12.441
   56   3HB   ALA   8          HB3       ALA   8  15.181 -12.019 -12.794
   57    H    GLY   9           H        GLY   9  12.818 -10.112 -13.644
   58   1HA   GLY   9          HA2       GLY   9  12.456 -11.498 -16.058
   59   2HA   GLY   9          HA3       GLY   9  10.855 -11.337 -15.340
   60    H    ASN  10           H        ASN  10  10.165  -9.946 -17.013
   61    HA   ASN  10           HA       ASN  10  11.080  -7.116 -16.734
   62   1HB   ASN  10          HB2       ASN  10  10.725  -8.731 -19.273
   63   2HB   ASN  10          HB3       ASN  10  10.271  -7.031 -19.250
   64   1HD2  ASN  10          HD22      ASN  10  13.090  -8.110 -17.284
   65   2HD2  ASN  10          HD21      ASN  10  14.268  -7.397 -18.365
   66    H    LEU  11           H        LEU  11   9.381  -5.711 -16.606
   67    HA   LEU  11           HA       LEU  11   6.924  -6.931 -15.699
   68   1HB   LEU  11          HB2       LEU  11   8.245  -5.120 -14.552
   69   2HB   LEU  11          HB3       LEU  11   7.725  -4.009 -15.814
   70    HG   LEU  11           HG       LEU  11   5.325  -4.494 -15.150
   71   1HD1  LEU  11          HD11      LEU  11   5.469  -6.676 -14.076
   72   2HD1  LEU  11          HD12      LEU  11   6.673  -6.079 -12.914
   73   3HD1  LEU  11          HD13      LEU  11   5.000  -5.503 -12.846
   74   1HD2  LEU  11          HD21      LEU  11   5.481  -3.140 -13.102
   75   2HD2  LEU  11          HD22      LEU  11   7.203  -3.540 -12.948
   76   3HD2  LEU  11          HD23      LEU  11   6.618  -2.561 -14.320
   77    H    TRP  12           H        TRP  12   6.377  -7.744 -17.834
   78    HA   TRP  12           HA       TRP  12   6.011  -6.791 -20.222
   79   1HB   TRP  12          HB2       TRP  12   5.237  -9.003 -19.166
   80   2HB   TRP  12          HB3       TRP  12   3.699  -8.218 -18.873
   81    HD1  TRP  12           HD1      TRP  12   6.051  -8.999 -21.777
   82    HE1  TRP  12           HE1      TRP  12   4.733  -9.638 -23.868
   83    HE3  TRP  12           HE3      TRP  12   1.335  -8.218 -19.984
   84    HZ2  TRP  12           HZ2      TRP  12   1.942  -9.842 -24.648
   85    HZ3  TRP  12           HZ3      TRP  12  -0.642  -8.707 -21.394
   86    HH2  TRP  12           HH2      TRP  12  -0.353  -9.511 -23.728
   87    H    LYS  13           H        LYS  13   3.334  -6.220 -17.847
   88    HA   LYS  13           HA       LYS  13   2.759  -3.610 -19.049
   89   1HB   LYS  13          HB2       LYS  13   0.727  -5.887 -18.962
   90   2HB   LYS  13          HB3       LYS  13   0.287  -4.182 -19.131
   91   1HG   LYS  13          HG2       LYS  13   1.677  -4.071 -21.226
   92   2HG   LYS  13          HG3       LYS  13   1.932  -5.820 -21.097
   93   1HD   LYS  13          HD2       LYS  13  -0.570  -6.133 -21.145
   94   2HD   LYS  13          HD3       LYS  13  -0.735  -4.386 -21.429
   95   1HE   LYS  13          HE2       LYS  13   0.696  -4.614 -23.472
   96   2HE   LYS  13          HE3       LYS  13   0.796  -6.358 -23.192
   97   1HZ   LYS  13          HZ1       LYS  13  -1.616  -6.470 -23.495
   98   2HZ   LYS  13          HZ2       LYS  13  -1.699  -4.858 -23.758
   99   3HZ   LYS  13          HZ3       LYS  13  -0.909  -5.815 -24.809
  100    H    VAL  14           H        VAL  14   1.250  -2.391 -17.619
  101    HA   VAL  14           HA       VAL  14   0.959  -3.438 -14.859
  102    HB   VAL  14           HB       VAL  14   2.182  -0.713 -15.504
  103   1HG1  VAL  14          HG11      VAL  14   1.672  -2.107 -12.821
  104   2HG1  VAL  14          HG12      VAL  14   2.599  -0.613 -13.028
  105   3HG1  VAL  14          HG13      VAL  14   0.880  -0.628 -13.416
  106   1HG2  VAL  14          HG21      VAL  14   3.870  -2.455 -15.892
  107   2HG2  VAL  14          HG22      VAL  14   4.225  -1.590 -14.402
  108   3HG2  VAL  14          HG23      VAL  14   3.466  -3.205 -14.330
  109    H    HIS  15           H        HIS  15  -0.942  -2.688 -13.917
  110    HA   HIS  15           HA       HIS  15  -2.734  -1.172 -15.770
  111   1HB   HIS  15          HB2       HIS  15  -3.661  -3.229 -13.782
  112   2HB   HIS  15          HB3       HIS  15  -4.438  -2.688 -15.266
  113    HD1  HIS  15           HD1      HIS  15  -2.292  -3.388 -17.460
  114    HD2  HIS  15           HD2      HIS  15  -2.956  -5.655 -13.983
  115    HE1  HIS  15           HE1      HIS  15  -1.209  -5.672 -17.858
  116    H    VAL  16           H        VAL  16  -1.499  -1.318 -12.480
  117    HA   VAL  16           HA       VAL  16  -3.571   0.377 -11.350
  118    HB   VAL  16           HB       VAL  16  -1.960   0.624  -9.472
  119   1HG1  VAL  16          HG11      VAL  16  -3.680  -1.113  -9.481
  120   2HG1  VAL  16          HG12      VAL  16  -2.581  -2.230 -10.309
  121   3HG1  VAL  16          HG13      VAL  16  -2.215  -1.663  -8.660
  122   1HG2  VAL  16          HG21      VAL  16  -0.221  -1.427 -10.898
  123   2HG2  VAL  16          HG22      VAL  16   0.164   0.304 -10.761
  124   3HG2  VAL  16          HG23      VAL  16   0.034  -0.681  -9.304
  125    H    LYS  17           H        LYS  17  -3.195   2.515 -10.517
  126    HA   LYS  17           HA       LYS  17  -0.993   4.104 -11.484
  127   1HB   LYS  17          HB2       LYS  17  -2.418   5.881 -12.446
  128   2HB   LYS  17          HB3       LYS  17  -2.500   4.398 -13.393
  129   1HG   LYS  17          HG2       LYS  17  -4.696   3.844 -12.384
  130   2HG   LYS  17          HG3       LYS  17  -4.615   5.304 -11.378
  131   1HD   LYS  17          HD2       LYS  17  -4.574   6.710 -13.420
  132   2HD   LYS  17          HD3       LYS  17  -4.659   5.245 -14.426
  133   1HE   LYS  17          HE2       LYS  17  -6.827   4.649 -13.363
  134   2HE   LYS  17          HE3       LYS  17  -6.743   6.105 -12.364
  135   1HZ   LYS  17          HZ1       LYS  17  -8.136   6.442 -14.303
  136   2HZ   LYS  17          HZ2       LYS  17  -6.843   7.427 -14.398
  137   3HZ   LYS  17          HZ3       LYS  17  -6.920   6.079 -15.323
  138    H    ALA  18           H        ALA  18  -1.038   6.218 -10.215
  139    HA   ALA  18           HA       ALA  18  -1.787   5.865  -7.500
  140   1HB   ALA  18          HB1       ALA  18  -1.318   8.449  -9.055
  141   2HB   ALA  18          HB2       ALA  18  -1.356   8.288  -7.288
  142   3HB   ALA  18          HB3       ALA  18  -0.075   7.486  -8.216
  143    H    GLY  19           H        GLY  19  -3.696   6.136  -6.431
  144   1HA   GLY  19          HA2       GLY  19  -5.781   7.025  -5.960
  145   2HA   GLY  19          HA3       GLY  19  -5.899   7.715  -7.585
  146    H    ASP  20           H        ASP  20  -4.895   4.633  -8.281
  147    HA   ASP  20           HA       ASP  20  -7.560   3.624  -8.843
  148   1HB   ASP  20          HB2       ASP  20  -5.487   3.101 -10.209
  149   2HB   ASP  20          HB3       ASP  20  -4.916   2.124  -8.855
  150    H    GLN  21           H        GLN  21  -8.197   1.416  -8.009
  151    HA   GLN  21           HA       GLN  21  -7.556   1.087  -5.110
  152   1HB   GLN  21          HB2       GLN  21  -9.742   2.117  -5.349
  153   2HB   GLN  21          HB3       GLN  21 -10.253   0.916  -6.524
  154   1HG   GLN  21          HG2       GLN  21  -9.357  -0.044  -3.794
  155   2HG   GLN  21          HG3       GLN  21 -10.895   0.794  -3.907
  156   1HE2  GLN  21          HE22      GLN  21  -9.699  -2.282  -3.790
  157   2HE2  GLN  21          HE21      GLN  21 -10.938  -3.084  -4.728
  158    H    ILE  22           H        ILE  22  -7.177  -0.975  -4.467
  159    HA   ILE  22           HA       ILE  22  -7.492  -3.151  -6.447
  160    HB   ILE  22           HB       ILE  22  -5.343  -4.028  -5.994
  161   1HG1  ILE  22          HG12      ILE  22  -5.017  -1.807  -3.946
  162   2HG1  ILE  22          HG13      ILE  22  -5.022  -3.555  -3.679
  163   1HG2  ILE  22          HG21      ILE  22  -5.541  -2.244  -7.747
  164   2HG2  ILE  22          HG22      ILE  22  -4.925  -1.069  -6.570
  165   3HG2  ILE  22          HG23      ILE  22  -3.915  -2.426  -7.095
  166   1HD1  ILE  22          HD11      ILE  22  -2.875  -1.884  -5.000
  167   2HD1  ILE  22          HD12      ILE  22  -2.772  -2.831  -3.501
  168   3HD1  ILE  22          HD13      ILE  22  -2.884  -3.662  -5.065
  169    H    GLU  23           H        GLU  23  -7.552  -5.259  -5.464
  170    HA   GLU  23           HA       GLU  23  -8.317  -5.362  -2.624
  171   1HB   GLU  23          HB2       GLU  23 -10.384  -5.161  -3.905
  172   2HB   GLU  23          HB3       GLU  23  -9.896  -6.499  -4.962
  173   1HG   GLU  23          HG2       GLU  23  -9.947  -8.042  -3.018
  174   2HG   GLU  23          HG3       GLU  23 -10.369  -6.698  -1.953
  175    H    LYS  24           H        LYS  24  -7.569  -7.375  -1.710
  176    HA   LYS  24           HA       LYS  24  -5.262  -8.459  -2.786
  177   1HB   LYS  24          HB2       LYS  24  -6.041  -8.691  -0.442
  178   2HB   LYS  24          HB3       LYS  24  -7.243  -9.884  -0.952
  179   1HG   LYS  24          HG2       LYS  24  -5.498 -11.426  -1.680
  180   2HG   LYS  24          HG3       LYS  24  -4.248 -10.197  -1.433
  181   1HD   LYS  24          HD2       LYS  24  -4.766 -10.185   1.012
  182   2HD   LYS  24          HD3       LYS  24  -5.974 -11.463   0.744
  183   1HE   LYS  24          HE2       LYS  24  -4.191 -12.943  -0.165
  184   2HE   LYS  24          HE3       LYS  24  -2.998 -11.660   0.084
  185   1HZ   LYS  24          HZ1       LYS  24  -3.421 -11.811   2.464
  186   2HZ   LYS  24          HZ2       LYS  24  -4.531 -12.992   2.242
  187   3HZ   LYS  24          HZ3       LYS  24  -2.965 -13.263   1.885
  188    H    GLY  25           H        GLY  25  -4.795  -9.722  -4.503
  189   1HA   GLY  25          HA2       GLY  25  -4.983 -11.614  -5.854
  190   2HA   GLY  25          HA3       GLY  25  -6.678 -11.814  -5.404
  191    H    GLN  26           H        GLN  26  -6.651  -8.588  -6.118
  192    HA   GLN  26           HA       GLN  26  -7.677  -8.845  -8.798
  193   1HB   GLN  26          HB2       GLN  26  -8.258  -7.058  -7.116
  194   2HB   GLN  26          HB3       GLN  26  -6.627  -6.395  -7.308
  195   1HG   GLN  26          HG2       GLN  26  -7.131  -5.984  -9.728
  196   2HG   GLN  26          HG3       GLN  26  -8.768  -6.592  -9.475
  197   1HE2  GLN  26          HE22      GLN  26  -6.958  -3.759  -9.618
  198   2HE2  GLN  26          HE21      GLN  26  -7.953  -2.721  -8.608
  199    H    GLU  27           H        GLU  27  -6.573  -8.451 -10.758
  200    HA   GLU  27           HA       GLU  27  -3.719  -8.866 -10.828
  201   1HB   GLU  27          HB2       GLU  27  -5.428  -9.593 -12.544
  202   2HB   GLU  27          HB3       GLU  27  -5.590  -7.900 -13.029
  203   1HG   GLU  27          HG2       GLU  27  -3.181  -7.873 -13.659
  204   2HG   GLU  27          HG3       GLU  27  -3.009  -9.531 -13.087
  205    H    VAL  28           H        VAL  28  -2.101  -7.408 -11.275
  206    HA   VAL  28           HA       VAL  28  -2.698  -4.490 -11.041
  207    HB   VAL  28           HB       VAL  28  -0.961  -6.338  -9.372
  208   1HG1  VAL  28          HG11      VAL  28   0.532  -4.465  -9.993
  209   2HG1  VAL  28          HG12      VAL  28  -0.657  -3.320  -9.358
  210   3HG1  VAL  28          HG13      VAL  28   0.123  -4.497  -8.282
  211   1HG2  VAL  28          HG21      VAL  28  -2.980  -4.167  -8.662
  212   2HG2  VAL  28          HG22      VAL  28  -3.233  -5.912  -8.546
  213   3HG2  VAL  28          HG23      VAL  28  -2.048  -5.123  -7.495
  214    H    ALA  29           H        ALA  29  -0.429  -7.090 -12.101
  215    HA   ALA  29           HA       ALA  29   0.366  -5.482 -14.376
  216   1HB   ALA  29          HB1       ALA  29   2.438  -6.251 -12.246
  217   2HB   ALA  29          HB2       ALA  29   2.810  -5.614 -13.850
  218   3HB   ALA  29          HB3       ALA  29   1.955  -4.602 -12.684
  219    H    ILE  30           H        ILE  30   2.228  -6.876 -15.493
  220    HA   ILE  30           HA       ILE  30   1.798  -9.777 -15.096
  221    HB   ILE  30           HB       ILE  30   1.542  -8.262 -17.724
  222   1HG1  ILE  30          HG12      ILE  30  -0.350 -10.248 -16.375
  223   2HG1  ILE  30          HG13      ILE  30  -0.528  -8.501 -16.310
  224   1HG2  ILE  30          HG21      ILE  30   2.983 -10.252 -18.110
  225   2HG2  ILE  30          HG22      ILE  30   1.771 -11.283 -17.315
  226   3HG2  ILE  30          HG23      ILE  30   1.422 -10.477 -18.859
  227   1HD1  ILE  30          HD11      ILE  30  -0.775 -10.192 -18.813
  228   2HD1  ILE  30          HD12      ILE  30  -2.049  -9.329 -17.945
  229   3HD1  ILE  30          HD13      ILE  30  -0.783  -8.408 -18.774
  230    H    LEU  31           H        LEU  31   3.652 -10.913 -15.485
  231    HA   LEU  31           HA       LEU  31   6.196  -9.386 -15.839
  232   1HB   LEU  31          HB2       LEU  31   5.806 -10.014 -13.565
  233   2HB   LEU  31          HB3       LEU  31   5.336 -11.660 -13.993
  234    HG   LEU  31           HG       LEU  31   7.499 -11.389 -12.844
  235   1HD1  LEU  31          HD11      LEU  31   7.898 -12.634 -15.575
  236   2HD1  LEU  31          HD12      LEU  31   8.741 -13.007 -14.066
  237   3HD1  LEU  31          HD13      LEU  31   7.018 -13.384 -14.239
  238   1HD2  LEU  31          HD21      LEU  31   8.625 -10.292 -15.423
  239   2HD2  LEU  31          HD22      LEU  31   8.122  -9.267 -14.065
  240   3HD2  LEU  31          HD23      LEU  31   9.412 -10.458 -13.831
  241    H    GLU  32           H        GLU  32   7.429 -10.131 -17.502
  242    HA   GLU  32           HA       GLU  32   6.718 -12.674 -18.869
  243   1HB   GLU  32          HB2       GLU  32   6.715 -10.642 -20.265
  244   2HB   GLU  32          HB3       GLU  32   8.365 -10.265 -19.757
  245   1HG   GLU  32          HG2       GLU  32   9.113 -12.452 -20.780
  246   2HG   GLU  32          HG3       GLU  32   7.465 -12.709 -21.347
  247    H    SER  33           H        SER  33   8.067 -14.363 -18.457
  248    HA   SER  33           HA       SER  33  10.884 -14.168 -18.246
  249   1HB   SER  33          HB2       SER  33  10.167 -13.335 -15.913
  250   2HB   SER  33          HB3       SER  33   9.533 -14.959 -15.622
  251    HG   SER  33           HG       SER  33  11.782 -14.309 -14.997
  252    H    MET  34           H        MET  34  11.732 -16.469 -17.727
  253    HA   MET  34           HA       MET  34  11.763 -18.674 -18.300
  254   1HB   MET  34          HB2       MET  34   9.014 -18.640 -16.994
  255   2HB   MET  34          HB3       MET  34  10.043 -20.054 -17.199
  256   1HG   MET  34          HG2       MET  34  11.682 -19.236 -15.676
  257   2HG   MET  34          HG3       MET  34  10.966 -17.629 -15.610
  258   1HE   MET  34          HE1       MET  34   7.904 -17.910 -13.336
  259   2HE   MET  34          HE2       MET  34   9.094 -16.838 -14.100
  260   3HE   MET  34          HE3       MET  34   7.976 -17.788 -15.105
  261    H    LYS  35           H        LYS  35  10.877 -16.943 -20.413
  262    HA   LYS  35           HA       LYS  35   9.824 -16.797 -22.389
  263   1HB   LYS  35          HB2       LYS  35  10.027 -19.829 -22.382
  264   2HB   LYS  35          HB3       LYS  35   9.759 -18.802 -23.796
  265   1HG   LYS  35          HG2       LYS  35  11.945 -17.665 -23.368
  266   2HG   LYS  35          HG3       LYS  35  12.264 -18.804 -22.053
  267   1HD   LYS  35          HD2       LYS  35  11.830 -19.553 -24.978
  268   2HD   LYS  35          HD3       LYS  35  13.397 -19.416 -24.167
  269   1HE   LYS  35          HE2       LYS  35  12.726 -21.211 -22.572
  270   2HE   LYS  35          HE3       LYS  35  11.182 -21.378 -23.416
  271   1HZ   LYS  35          HZ1       LYS  35  12.775 -23.024 -24.163
  272   2HZ   LYS  35          HZ2       LYS  35  12.414 -22.032 -25.403
  273   3HZ   LYS  35          HZ3       LYS  35  13.841 -21.882 -24.620
  274    H    MET  36           H        MET  36   8.072 -16.733 -20.112
  275    HA   MET  36           HA       MET  36   5.490 -17.388 -21.387
  276   1HB   MET  36          HB2       MET  36   6.423 -18.156 -18.576
  277   2HB   MET  36          HB3       MET  36   4.726 -18.102 -19.040
  278   1HG   MET  36          HG2       MET  36   6.803 -19.885 -20.352
  279   2HG   MET  36          HG3       MET  36   5.681 -20.376 -19.088
  280   1HE   MET  36          HE1       MET  36   6.090 -21.849 -21.910
  281   2HE   MET  36          HE2       MET  36   5.004 -22.432 -20.627
  282   3HE   MET  36          HE3       MET  36   4.404 -22.263 -22.292
  283    H    GLU  37           H        GLU  37   3.740 -16.272 -19.931
  284    HA   GLU  37           HA       GLU  37   4.758 -13.780 -18.698
  285   1HB   GLU  37          HB2       GLU  37   2.218 -13.981 -20.367
  286   2HB   GLU  37          HB3       GLU  37   2.770 -12.599 -19.434
  287   1HG   GLU  37          HG2       GLU  37   3.381 -12.000 -21.574
  288   2HG   GLU  37          HG3       GLU  37   4.888 -12.602 -20.899
  289    H    ILE  38           H        ILE  38   3.802 -13.369 -16.728
  290    HA   ILE  38           HA       ILE  38   1.878 -15.364 -15.665
  291    HB   ILE  38           HB       ILE  38   4.417 -14.398 -14.264
  292   1HG1  ILE  38          HG12      ILE  38   4.886 -17.040 -14.482
  293   2HG1  ILE  38          HG13      ILE  38   3.928 -16.878 -15.941
  294   1HG2  ILE  38          HG21      ILE  38   3.813 -16.243 -12.666
  295   2HG2  ILE  38          HG22      ILE  38   2.589 -14.984 -12.732
  296   3HG2  ILE  38          HG23      ILE  38   2.324 -16.525 -13.581
  297   1HD1  ILE  38          HD11      ILE  38   6.526 -15.434 -15.235
  298   2HD1  ILE  38          HD12      ILE  38   6.308 -16.712 -16.440
  299   3HD1  ILE  38          HD13      ILE  38   5.613 -15.115 -16.721
  300    HA   PRO  39           HA       PRO  39  -0.004 -11.450 -14.351
  301   1HB   PRO  39          HB2       PRO  39  -1.290 -13.219 -12.277
  302   2HB   PRO  39          HB3       PRO  39  -2.046 -11.994 -13.338
  303   1HG   PRO  39          HG2       PRO  39  -2.288 -14.650 -13.861
  304   2HG   PRO  39          HG3       PRO  39  -2.021 -13.478 -15.194
  305   1HD   PRO  39          HD2       PRO  39  -0.004 -15.285 -13.850
  306   2HD   PRO  39          HD3       PRO  39  -0.210 -14.897 -15.587
  307    H    ILE  40           H        ILE  40   0.209 -10.003 -12.645
  308    HA   ILE  40           HA       ILE  40   1.514 -10.863 -10.112
  309    HB   ILE  40           HB       ILE  40   1.903  -8.284 -11.667
  310   1HG1  ILE  40          HG12      ILE  40   3.234 -10.109 -12.659
  311   2HG1  ILE  40          HG13      ILE  40   4.196  -8.802 -11.996
  312   1HG2  ILE  40          HG21      ILE  40   2.904  -9.100  -8.917
  313   2HG2  ILE  40          HG22      ILE  40   3.605  -7.770  -9.852
  314   3HG2  ILE  40          HG23      ILE  40   1.910  -7.697  -9.355
  315   1HD1  ILE  40          HD11      ILE  40   3.728 -11.480 -10.613
  316   2HD1  ILE  40          HD12      ILE  40   5.194 -10.979 -11.474
  317   3HD1  ILE  40          HD13      ILE  40   4.732 -10.143  -9.996
  318    H    VAL  41           H        VAL  41   0.273 -10.276  -8.393
  319    HA   VAL  41           HA       VAL  41  -2.231  -8.762  -8.916
  320    HB   VAL  41           HB       VAL  41  -3.234 -10.435  -7.257
  321   1HG1  VAL  41          HG11      VAL  41  -2.371 -11.428 -10.003
  322   2HG1  VAL  41          HG12      VAL  41  -3.599 -12.200  -8.970
  323   3HG1  VAL  41          HG13      VAL  41  -3.872 -10.572  -9.560
  324   1HG2  VAL  41          HG21      VAL  41  -0.873 -12.191  -8.053
  325   2HG2  VAL  41          HG22      VAL  41  -1.058 -11.418  -6.455
  326   3HG2  VAL  41          HG23      VAL  41  -2.240 -12.613  -7.010
  327    H    ALA  42           H        ALA  42  -3.244  -7.875  -7.038
  328    HA   ALA  42           HA       ALA  42  -1.545  -6.453  -5.248
  329   1HB   ALA  42          HB1       ALA  42  -3.809  -5.728  -5.988
  330   2HB   ALA  42          HB2       ALA  42  -4.521  -7.110  -5.142
  331   3HB   ALA  42          HB3       ALA  42  -3.710  -5.833  -4.221
  332    H    ASP  43           H        ASP  43  -0.448  -7.363  -3.569
  333    HA   ASP  43           HA       ASP  43  -1.072  -9.921  -2.410
  334   1HB   ASP  43          HB2       ASP  43   1.200  -8.972  -2.477
  335   2HB   ASP  43          HB3       ASP  43   0.693  -7.644  -1.428
  336    H    ARG  44           H        ARG  44  -2.329  -6.737  -1.860
  337    HA   ARG  44           HA       ARG  44  -4.104  -7.662   0.249
  338   1HB   ARG  44          HB2       ARG  44  -3.564  -5.740   1.720
  339   2HB   ARG  44          HB3       ARG  44  -2.290  -6.947   1.682
  340   1HG   ARG  44          HG2       ARG  44  -0.827  -5.588   0.433
  341   2HG   ARG  44          HG3       ARG  44  -2.113  -4.531  -0.158
  342   1HD   ARG  44          HD2       ARG  44  -1.316  -4.654   2.769
  343   2HD   ARG  44          HD3       ARG  44  -0.604  -3.543   1.585
  344    HE   ARG  44           HE       ARG  44  -3.525  -3.506   1.596
  345   1HH1  ARG  44          HH21      ARG  44  -0.670  -1.960   3.063
  346   2HH1  ARG  44          HH22      ARG  44  -1.473  -0.442   3.273
  347   1HH2  ARG  44          HH11      ARG  44  -4.587  -1.654   2.051
  348   2HH2  ARG  44          HH12      ARG  44  -3.840  -0.340   2.936
  349    H    SER  45           H        SER  45  -5.856  -6.077   0.552
  350    HA   SER  45           HA       SER  45  -6.504  -4.529  -1.811
  351   1HB   SER  45          HB2       SER  45  -7.790  -4.522   0.945
  352   2HB   SER  45          HB3       SER  45  -8.558  -4.075  -0.591
  353    HG   SER  45           HG       SER  45  -9.047  -6.240   0.176
  354    H    GLY  46           H        GLY  46  -6.824  -2.176  -1.853
  355   1HA   GLY  46          HA2       GLY  46  -6.418  -0.381   0.203
  356   2HA   GLY  46          HA3       GLY  46  -4.796  -0.677  -0.438
  357    H    ILE  47           H        ILE  47  -5.185   1.741  -0.774
  358    HA   ILE  47           HA       ILE  47  -6.188   2.223  -3.541
  359    HB   ILE  47           HB       ILE  47  -5.722   4.180  -1.251
  360   1HG1  ILE  47          HG12      ILE  47  -7.825   2.999  -0.921
  361   2HG1  ILE  47          HG13      ILE  47  -8.111   4.676  -1.350
  362   1HG2  ILE  47          HG21      ILE  47  -5.078   5.278  -3.309
  363   2HG2  ILE  47          HG22      ILE  47  -6.546   4.731  -4.134
  364   3HG2  ILE  47          HG23      ILE  47  -6.646   5.912  -2.809
  365   1HD1  ILE  47          HD11      ILE  47  -8.403   2.280  -3.208
  366   2HD1  ILE  47          HD12      ILE  47  -9.710   3.231  -2.490
  367   3HD1  ILE  47          HD13      ILE  47  -8.646   3.973  -3.699
  368    H    VAL  48           H        VAL  48  -4.660   2.849  -4.985
  369    HA   VAL  48           HA       VAL  48  -1.869   2.308  -4.384
  370    HB   VAL  48           HB       VAL  48  -3.235   3.403  -6.853
  371   1HG1  VAL  48          HG11      VAL  48  -1.206   2.548  -8.034
  372   2HG1  VAL  48          HG12      VAL  48  -0.794   3.825  -6.887
  373   3HG1  VAL  48          HG13      VAL  48  -0.473   2.133  -6.470
  374   1HG2  VAL  48          HG21      VAL  48  -4.149   1.195  -6.295
  375   2HG2  VAL  48          HG22      VAL  48  -3.097   1.070  -7.688
  376   3HG2  VAL  48          HG23      VAL  48  -2.517   0.536  -6.093
  377    H    LYS  49           H        LYS  49  -0.592   3.786  -3.395
  378    HA   LYS  49           HA       LYS  49  -1.233   6.672  -3.445
  379   1HB   LYS  49          HB2       LYS  49  -0.458   5.707  -1.366
  380   2HB   LYS  49          HB3       LYS  49   0.977   5.029  -2.143
  381   1HG   LYS  49          HG2       LYS  49   1.815   7.325  -2.575
  382   2HG   LYS  49          HG3       LYS  49   0.382   7.996  -1.761
  383   1HD   LYS  49          HD2       LYS  49   1.023   6.917   0.342
  384   2HD   LYS  49          HD3       LYS  49   2.316   6.021  -0.475
  385   1HE   LYS  49          HE2       LYS  49   3.365   8.258  -1.077
  386   2HE   LYS  49          HE3       LYS  49   2.190   9.028   0.000
  387   1HZ   LYS  49          HZ1       LYS  49   4.310   8.540   1.101
  388   2HZ   LYS  49          HZ2       LYS  49   3.107   7.701   1.816
  389   3HZ   LYS  49          HZ3       LYS  49   4.143   6.936   0.791
  390    H    GLU  50           H        GLU  50   1.302   4.330  -4.620
  391    HA   GLU  50           HA       GLU  50   1.912   6.148  -6.844
  392   1HB   GLU  50          HB2       GLU  50   3.231   6.984  -4.820
  393   2HB   GLU  50          HB3       GLU  50   4.085   5.438  -4.809
  394   1HG   GLU  50          HG2       GLU  50   5.035   5.892  -7.002
  395   2HG   GLU  50          HG3       GLU  50   3.996   7.305  -7.217
  396    H    VAL  51           H        VAL  51   3.359   5.059  -8.418
  397    HA   VAL  51           HA       VAL  51   3.535   2.105  -8.063
  398    HB   VAL  51           HB       VAL  51   3.060   3.589 -10.680
  399   1HG1  VAL  51          HG11      VAL  51   2.901   0.620  -9.963
  400   2HG1  VAL  51          HG12      VAL  51   2.509   1.332 -11.539
  401   3HG1  VAL  51          HG13      VAL  51   4.171   1.389 -10.942
  402   1HG2  VAL  51          HG21      VAL  51   1.053   2.084  -8.943
  403   2HG2  VAL  51          HG22      VAL  51   1.016   3.819  -9.331
  404   3HG2  VAL  51          HG23      VAL  51   0.758   2.638 -10.609
  405    H    LYS  52           H        LYS  52   5.546   1.279  -8.461
  406    HA   LYS  52           HA       LYS  52   7.727   3.301  -8.546
  407   1HB   LYS  52          HB2       LYS  52   7.700   0.432  -7.527
  408   2HB   LYS  52          HB3       LYS  52   9.006   1.593  -7.316
  409   1HG   LYS  52          HG2       LYS  52   6.243   1.742  -6.044
  410   2HG   LYS  52          HG3       LYS  52   7.759   1.291  -5.271
  411   1HD   LYS  52          HD2       LYS  52   8.652   3.588  -5.731
  412   2HD   LYS  52          HD3       LYS  52   7.034   4.053  -6.335
  413   1HE   LYS  52          HE2       LYS  52   6.014   3.541  -4.219
  414   2HE   LYS  52          HE3       LYS  52   7.506   2.827  -3.590
  415   1HZ   LYS  52          HZ1       LYS  52   7.104   5.027  -2.754
  416   2HZ   LYS  52          HZ2       LYS  52   8.506   5.013  -3.616
  417   3HZ   LYS  52          HZ3       LYS  52   7.150   5.693  -4.261
  418    H    LYS  53           H        LYS  53   6.346   1.427 -10.870
  419    HA   LYS  53           HA       LYS  53   8.893   0.980 -12.288
  420   1HB   LYS  53          HB2       LYS  53   6.779  -1.174 -11.824
  421   2HB   LYS  53          HB3       LYS  53   8.112  -1.311 -12.969
  422   1HG   LYS  53          HG2       LYS  53   8.485  -1.048  -9.972
  423   2HG   LYS  53          HG3       LYS  53   8.482  -2.564 -10.868
  424   1HD   LYS  53          HD2       LYS  53  10.404  -1.867 -12.214
  425   2HD   LYS  53          HD3       LYS  53  10.455  -0.292 -11.423
  426   1HE   LYS  53          HE2       LYS  53  10.817  -2.964  -9.997
  427   2HE   LYS  53          HE3       LYS  53  12.129  -1.927 -10.552
  428   1HZ   LYS  53          HZ1       LYS  53  11.711  -1.593  -8.272
  429   2HZ   LYS  53          HZ2       LYS  53  11.258  -0.193  -9.045
  430   3HZ   LYS  53          HZ3       LYS  53  10.128  -1.276  -8.484
  431    H    LYS  54           H        LYS  54   8.105  -0.060 -14.576
  432    HA   LYS  54           HA       LYS  54   5.777   1.350 -15.617
  433   1HB   LYS  54          HB2       LYS  54   7.090   2.554 -17.333
  434   2HB   LYS  54          HB3       LYS  54   7.447   3.120 -15.704
  435   1HG   LYS  54          HG2       LYS  54   9.531   1.703 -15.709
  436   2HG   LYS  54          HG3       LYS  54   9.187   1.273 -17.398
  437   1HD   LYS  54          HD2       LYS  54   9.318   3.638 -18.045
  438   2HD   LYS  54          HD3       LYS  54   9.607   4.119 -16.371
  439   1HE   LYS  54          HE2       LYS  54  11.427   2.281 -18.001
  440   2HE   LYS  54          HE3       LYS  54  11.663   4.019 -17.814
  441   1HZ   LYS  54          HZ1       LYS  54  11.808   2.005 -15.632
  442   2HZ   LYS  54          HZ2       LYS  54  13.024   2.890 -16.253
  443   3HZ   LYS  54          HZ3       LYS  54  11.861   3.638 -15.396
  444    H    GLU  55           H        GLU  55   5.472   0.704 -17.934
  445    HA   GLU  55           HA       GLU  55   5.553  -2.134 -17.979
  446   1HB   GLU  55          HB2       GLU  55   4.896  -0.232 -20.271
  447   2HB   GLU  55          HB3       GLU  55   4.448  -1.942 -20.135
  448   1HG   GLU  55          HG2       GLU  55   3.236  -1.318 -17.970
  449   2HG   GLU  55          HG3       GLU  55   3.472   0.373 -18.402
  450    H    GLY  56           H        GLY  56   6.908  -3.547 -18.896
  451   1HA   GLY  56          HA2       GLY  56   8.508  -4.454 -20.251
  452   2HA   GLY  56          HA3       GLY  56   8.764  -2.889 -21.035
  453    H    ASP  57           H        ASP  57   9.028  -2.322 -17.687
  454    HA   ASP  57           HA       ASP  57  11.888  -1.979 -17.914
  455   1HB   ASP  57          HB2       ASP  57  10.164  -0.631 -16.538
  456   2HB   ASP  57          HB3       ASP  57  10.319  -1.896 -15.320
  457    H    PHE  58           H        PHE  58  13.451  -2.958 -16.376
  458    HA   PHE  58           HA       PHE  58  13.189  -5.875 -16.151
  459   1HB   PHE  58          HB2       PHE  58  15.359  -4.860 -16.666
  460   2HB   PHE  58          HB3       PHE  58  15.269  -3.861 -15.223
  461    HD1  PHE  58           HD1      PHE  58  15.696  -7.360 -16.451
  462    HD2  PHE  58           HD2      PHE  58  15.921  -4.708 -13.053
  463    HE1  PHE  58           HE1      PHE  58  16.934  -9.091 -15.181
  464    HE2  PHE  58           HE2      PHE  58  17.165  -6.442 -11.789
  465    HZ   PHE  58           HZ       PHE  58  17.703  -8.623 -12.861
  466    H    VAL  59           H        VAL  59  12.856  -7.012 -14.208
  467    HA   VAL  59           HA       VAL  59  12.497  -5.539 -11.698
  468    HB   VAL  59           HB       VAL  59  10.327  -6.871 -11.344
  469   1HG1  VAL  59          HG11      VAL  59  10.237  -4.523 -13.271
  470   2HG1  VAL  59          HG12      VAL  59   8.935  -5.082 -12.209
  471   3HG1  VAL  59          HG13      VAL  59  10.427  -4.434 -11.502
  472   1HG2  VAL  59          HG21      VAL  59   8.925  -7.307 -13.279
  473   2HG2  VAL  59          HG22      VAL  59  10.216  -6.814 -14.386
  474   3HG2  VAL  59          HG23      VAL  59  10.416  -8.270 -13.385
  475    H    ASN  60           H        ASN  60  12.264  -7.065  -9.848
  476    HA   ASN  60           HA       ASN  60  13.480  -9.670 -10.348
  477   1HB   ASN  60          HB2       ASN  60  15.161  -7.499  -9.923
  478   2HB   ASN  60          HB3       ASN  60  14.949  -8.133  -8.291
  479   1HD2  ASN  60          HD22      ASN  60  15.535  -9.206 -11.689
  480   2HD2  ASN  60          HD21      ASN  60  16.641 -10.497 -11.269
  481    H    GLU  61           H        GLU  61  13.876 -10.856  -8.282
  482    HA   GLU  61           HA       GLU  61  11.438 -11.062  -6.821
  483   1HB   GLU  61          HB2       GLU  61  12.898 -12.955  -7.248
  484   2HB   GLU  61          HB3       GLU  61  14.238 -12.190  -6.405
  485   1HG   GLU  61          HG2       GLU  61  12.887 -12.282  -4.274
  486   2HG   GLU  61          HG3       GLU  61  11.592 -13.082  -5.161
  487    H    GLY  62           H        GLY  62  10.728  -9.544  -5.440
  488   1HA   GLY  62          HA2       GLY  62  10.708  -8.535  -3.353
  489   2HA   GLY  62          HA3       GLY  62  12.474  -8.594  -3.260
  490    H    ASP  63           H        ASP  63  11.612  -7.451  -6.392
  491    HA   ASP  63           HA       ASP  63  12.470  -4.753  -5.689
  492   1HB   ASP  63          HB2       ASP  63  13.058  -6.081  -7.815
  493   2HB   ASP  63          HB3       ASP  63  11.412  -5.764  -8.356
  494    H    VAL  64           H        VAL  64  11.059  -3.012  -5.362
  495    HA   VAL  64           HA       VAL  64   8.347  -3.701  -4.742
  496    HB   VAL  64           HB       VAL  64   9.580  -0.919  -4.883
  497   1HG1  VAL  64          HG11      VAL  64   7.115  -0.888  -4.659
  498   2HG1  VAL  64          HG12      VAL  64   7.207  -2.047  -3.325
  499   3HG1  VAL  64          HG13      VAL  64   7.864  -0.404  -3.139
  500   1HG2  VAL  64          HG21      VAL  64   9.990  -1.209  -2.430
  501   2HG2  VAL  64          HG22      VAL  64   9.529  -2.919  -2.574
  502   3HG2  VAL  64          HG23      VAL  64  10.977  -2.299  -3.400
  503    H    LEU  65           H        LEU  65   6.430  -3.173  -5.767
  504    HA   LEU  65           HA       LEU  65   6.631  -2.275  -8.604
  505   1HB   LEU  65          HB2       LEU  65   5.792  -4.569  -8.316
  506   2HB   LEU  65          HB3       LEU  65   4.582  -4.021  -7.174
  507    HG   LEU  65           HG       LEU  65   3.388  -2.793  -8.915
  508   1HD1  LEU  65          HD11      LEU  65   4.049  -2.965 -11.293
  509   2HD1  LEU  65          HD12      LEU  65   5.188  -2.007 -10.356
  510   3HD1  LEU  65          HD13      LEU  65   5.604  -3.683 -10.797
  511   1HD2  LEU  65          HD21      LEU  65   4.192  -5.584  -9.824
  512   2HD2  LEU  65          HD22      LEU  65   2.930  -5.205  -8.625
  513   3HD2  LEU  65          HD23      LEU  65   2.730  -4.713 -10.316
  514    H    LEU  66           H        LEU  66   4.718  -1.924  -5.513
  515    HA   LEU  66           HA       LEU  66   4.181   0.827  -6.281
  516   1HB   LEU  66          HB2       LEU  66   1.802   0.777  -6.267
  517   2HB   LEU  66          HB3       LEU  66   2.377  -0.238  -7.560
  518    HG   LEU  66           HG       LEU  66   1.620  -1.502  -4.896
  519   1HD1  LEU  66          HD11      LEU  66  -0.705  -1.683  -5.686
  520   2HD1  LEU  66          HD12      LEU  66  -0.232   0.001  -5.406
  521   3HD1  LEU  66          HD13      LEU  66  -0.334  -0.623  -7.062
  522   1HD2  LEU  66          HD21      LEU  66   2.571  -2.958  -6.651
  523   2HD2  LEU  66          HD22      LEU  66   0.864  -3.334  -6.398
  524   3HD2  LEU  66          HD23      LEU  66   1.355  -2.380  -7.811
  525    H    GLU  67           H        GLU  67   2.835   1.958  -4.667
  526    HA   GLU  67           HA       GLU  67   3.271   0.981  -1.898
  527   1HB   GLU  67          HB2       GLU  67   5.047   2.586  -2.657
  528   2HB   GLU  67          HB3       GLU  67   3.791   3.798  -2.962
  529   1HG   GLU  67          HG2       GLU  67   3.168   3.639  -0.523
  530   2HG   GLU  67          HG3       GLU  67   4.523   2.527  -0.293
  531    H    LEU  68           H        LEU  68   1.621   1.771  -0.443
  532    HA   LEU  68           HA       LEU  68  -0.903   2.511  -1.846
  533   1HB   LEU  68          HB2       LEU  68  -0.523   0.597   0.489
  534   2HB   LEU  68          HB3       LEU  68  -2.051   1.011  -0.279
  535    HG   LEU  68           HG       LEU  68   0.247  -0.510  -1.586
  536   1HD1  LEU  68          HD11      LEU  68  -0.962  -1.816   0.086
  537   2HD1  LEU  68          HD12      LEU  68  -2.512  -1.450  -0.711
  538   3HD1  LEU  68          HD13      LEU  68  -1.281  -2.424  -1.544
  539   1HD2  LEU  68          HD21      LEU  68  -0.904   0.772  -3.287
  540   2HD2  LEU  68          HD22      LEU  68  -1.321  -0.928  -3.435
  541   3HD2  LEU  68          HD23      LEU  68  -2.492   0.197  -2.712
  542    H    SER  69           H        SER  69  -2.464   3.620  -0.622
  543    HA   SER  69           HA       SER  69  -1.352   5.813   0.698
  544   1HB   SER  69          HB2       SER  69  -4.259   4.956   0.529
  545   2HB   SER  69          HB3       SER  69  -3.650   6.604   0.792
  546    HG   SER  69           HG       SER  69  -4.090   6.372  -1.375
  547    H    ASN  70           H        ASN  70  -1.997   2.847   2.273
  548    HA   ASN  70           HA       ASN  70  -1.572   4.176   4.813
  549   1HB   ASN  70          HB2       ASN  70  -3.442   3.628   5.954
  550   2HB   ASN  70          HB3       ASN  70  -4.206   3.830   4.391
  551   1HD2  ASN  70          HD22      ASN  70  -4.244   1.874   7.029
  552   2HD2  ASN  70          HD21      ASN  70  -4.533   0.311   6.290
  553    H    SER  71           H        SER  71  -0.899   2.613   6.487
  554    HA   SER  71           HA       SER  71   1.125   1.060   5.488
  555   1HB   SER  71          HB2       SER  71  -0.108   0.774   8.248
  556   2HB   SER  71          HB3       SER  71   1.585   0.534   7.781
  557    HG   SER  71           HG       SER  71   1.234   2.582   8.754
  558    H    THR  72           H        THR  72  -2.063  -0.199   6.702
  559    HA   THR  72           HA       THR  72  -1.352  -2.872   5.624
  560    HB   THR  72           HB       THR  72  -2.376  -2.531   8.461
  561    HG1  THR  72           HG1      THR  72  -0.337  -2.582   9.244
  562   1HG2  THR  72          HG21      THR  72  -0.808  -4.760   7.072
  563   2HG2  THR  72          HG22      THR  72  -1.332  -4.769   8.771
  564   3HG2  THR  72          HG23      THR  72  -2.537  -4.793   7.482
  565    H    GLN  73           H        GLN  73  -3.176  -4.149   5.121
  566    HA   GLN  73           HA       GLN  73  -5.662  -2.843   4.582
  567   1HB   GLN  73          HB2       GLN  73  -4.809  -4.799   3.342
  568   2HB   GLN  73          HB3       GLN  73  -4.976  -5.813   4.785
  569   1HG   GLN  73          HG2       GLN  73  -7.424  -5.423   4.758
  570   2HG   GLN  73          HG3       GLN  73  -7.256  -4.407   3.322
  571   1HE2  GLN  73          HE22      GLN  73  -8.862  -6.866   3.577
  572   2HE2  GLN  73          HE21      GLN  73  -8.226  -7.977   2.388
  Start of MODEL    9
    1   1H    THR   2          H1        THR   2   3.525  -2.623   1.631
    2   2H    THR   2          H2        THR   2   3.663  -0.990   1.539
    3   3H    THR   2          H3        THR   2   2.364  -1.756   0.863
    4    HA   THR   2           HA       THR   2   3.836  -1.129  -0.873
    5    HB   THR   2           HB       THR   2   5.961  -2.672   0.670
    6    HG1  THR   2           HG1      THR   2   6.728  -0.679   1.230
    7   1HG2  THR   2          HG21      THR   2   6.156  -0.859  -1.782
    8   2HG2  THR   2          HG22      THR   2   7.536  -1.518  -0.878
    9   3HG2  THR   2          HG23      THR   2   6.460  -2.616  -1.745
   10    H    VAL   3           H        VAL   3   4.063  -2.479  -2.767
   11    HA   VAL   3           HA       VAL   3   3.634  -5.397  -2.383
   12    HB   VAL   3           HB       VAL   3   2.338  -3.686  -4.533
   13   1HG1  VAL   3          HG11      VAL   3   1.062  -5.745  -5.084
   14   2HG1  VAL   3          HG12      VAL   3   2.791  -5.989  -5.299
   15   3HG1  VAL   3          HG13      VAL   3   1.987  -6.636  -3.851
   16   1HG2  VAL   3          HG21      VAL   3   0.150  -4.278  -3.497
   17   2HG2  VAL   3          HG22      VAL   3   1.026  -4.958  -2.104
   18   3HG2  VAL   3          HG23      VAL   3   1.140  -3.222  -2.485
   19    H    SER   4           H        SER   4   4.840  -6.617  -3.882
   20    HA   SER   4           HA       SER   4   6.901  -5.234  -5.509
   21   1HB   SER   4          HB2       SER   4   7.401  -7.286  -3.315
   22   2HB   SER   4          HB3       SER   4   8.631  -6.511  -4.320
   23    HG   SER   4           HG       SER   4   8.393  -5.552  -2.220
   24    H    ILE   5           H        ILE   5   8.194  -6.823  -6.711
   25    HA   ILE   5           HA       ILE   5   6.581  -9.042  -7.809
   26    HB   ILE   5           HB       ILE   5   9.260  -7.807  -8.603
   27   1HG1  ILE   5          HG12      ILE   5   7.453  -6.205  -8.993
   28   2HG1  ILE   5          HG13      ILE   5   8.076  -6.817 -10.503
   29   1HG2  ILE   5          HG21      ILE   5   8.916  -9.020 -10.781
   30   2HG2  ILE   5          HG22      ILE   5   9.241 -10.052  -9.404
   31   3HG2  ILE   5          HG23      ILE   5   7.581  -9.914 -10.029
   32   1HD1  ILE   5          HD11      ILE   5   5.493  -7.763  -9.213
   33   2HD1  ILE   5          HD12      ILE   5   5.635  -6.628 -10.560
   34   3HD1  ILE   5          HD13      ILE   5   6.136  -8.302 -10.784
   35    H    GLN   6           H        GLN   6   7.606 -11.191  -7.945
   36    HA   GLN   6           HA       GLN   6   9.515 -11.816  -5.762
   37   1HB   GLN   6          HB2       GLN   6   8.012 -13.717  -5.097
   38   2HB   GLN   6          HB3       GLN   6   7.503 -12.116  -4.636
   39   1HG   GLN   6          HG2       GLN   6   6.383 -13.375  -7.166
   40   2HG   GLN   6          HG3       GLN   6   5.767 -13.838  -5.587
   41   1HE2  GLN   6          HE22      GLN   6   5.128 -11.689  -8.095
   42   2HE2  GLN   6          HE21      GLN   6   4.377 -10.411  -7.158
   43    H    MET   7           H        MET   7   9.768 -11.692  -8.735
   44    HA   MET   7           HA       MET   7  11.201 -14.168  -9.067
   45   1HB   MET   7          HB2       MET   7  10.132 -14.742 -11.226
   46   2HB   MET   7          HB3       MET   7   9.046 -14.996  -9.871
   47   1HG   MET   7          HG2       MET   7   8.971 -12.490 -11.590
   48   2HG   MET   7          HG3       MET   7   8.101 -13.957 -11.995
   49   1HE   MET   7          HE1       MET   7   5.644 -13.605 -11.933
   50   2HE   MET   7          HE2       MET   7   6.020 -14.908 -10.778
   51   3HE   MET   7          HE3       MET   7   4.821 -13.660 -10.364
   52    H    ALA   8           H        ALA   8  12.658 -13.947 -10.962
   53    HA   ALA   8           HA       ALA   8  13.277 -11.138 -11.629
   54   1HB   ALA   8          HB1       ALA   8  15.098 -12.700 -11.085
   55   2HB   ALA   8          HB2       ALA   8  14.611 -13.743 -12.449
   56   3HB   ALA   8          HB3       ALA   8  15.218 -12.099 -12.757
   57    H    GLY   9           H        GLY   9  12.801 -10.141 -13.575
   58   1HA   GLY   9          HA2       GLY   9  12.516 -11.465 -16.037
   59   2HA   GLY   9          HA3       GLY   9  10.901 -11.346 -15.348
   60    H    ASN  10           H        ASN  10  10.210  -9.907 -16.982
   61    HA   ASN  10           HA       ASN  10  11.089  -7.074 -16.616
   62   1HB   ASN  10          HB2       ASN  10  10.842  -8.634 -19.202
   63   2HB   ASN  10          HB3       ASN  10  10.323  -6.953 -19.157
   64   1HD2  ASN  10          HD22      ASN  10  13.136  -8.014 -17.164
   65   2HD2  ASN  10          HD21      ASN  10  14.311  -7.217 -18.186
   66    H    LEU  11           H        LEU  11   9.345  -5.698 -16.503
   67    HA   LEU  11           HA       LEU  11   6.908  -7.026 -15.699
   68   1HB   LEU  11          HB2       LEU  11   8.176  -5.197 -14.478
   69   2HB   LEU  11          HB3       LEU  11   7.588  -4.069 -15.685
   70    HG   LEU  11           HG       LEU  11   5.229  -4.682 -15.034
   71   1HD1  LEU  11          HD11      LEU  11   6.624  -6.343 -12.885
   72   2HD1  LEU  11          HD12      LEU  11   4.923  -5.844 -12.813
   73   3HD1  LEU  11          HD13      LEU  11   5.459  -6.921 -14.096
   74   1HD2  LEU  11          HD21      LEU  11   7.064  -3.782 -12.765
   75   2HD2  LEU  11          HD22      LEU  11   6.438  -2.758 -14.082
   76   3HD2  LEU  11          HD23      LEU  11   5.326  -3.451 -12.902
   77    H    TRP  12           H        TRP  12   6.451  -7.770 -17.884
   78    HA   TRP  12           HA       TRP  12   6.093  -6.778 -20.238
   79   1HB   TRP  12          HB2       TRP  12   5.285  -9.007 -19.311
   80   2HB   TRP  12          HB3       TRP  12   3.767  -8.220 -18.932
   81    HD1  TRP  12           HD1      TRP  12   6.002  -9.007 -21.921
   82    HE1  TRP  12           HE1      TRP  12   4.609  -9.352 -24.034
   83    HE3  TRP  12           HE3      TRP  12   1.401  -7.861 -20.022
   84    HZ2  TRP  12           HZ2      TRP  12   1.813  -9.208 -24.792
   85    HZ3  TRP  12           HZ3      TRP  12  -0.619  -8.007 -21.447
   86    HH2  TRP  12           HH2      TRP  12  -0.427  -8.673 -23.833
   87    H    LYS  13           H        LYS  13   3.348  -6.255 -17.927
   88    HA   LYS  13           HA       LYS  13   2.994  -3.561 -18.970
   89   1HB   LYS  13          HB2       LYS  13   0.819  -5.689 -19.228
   90   2HB   LYS  13          HB3       LYS  13   0.450  -3.967 -19.132
   91   1HG   LYS  13          HG2       LYS  13   2.035  -3.599 -21.076
   92   2HG   LYS  13          HG3       LYS  13   2.087  -5.349 -21.288
   93   1HD   LYS  13          HD2       LYS  13  -0.273  -5.453 -21.758
   94   2HD   LYS  13          HD3       LYS  13  -0.518  -3.755 -21.325
   95   1HE   LYS  13          HE2       LYS  13   1.400  -4.609 -23.530
   96   2HE   LYS  13          HE3       LYS  13  -0.321  -4.363 -23.846
   97   1HZ   LYS  13          HZ1       LYS  13   1.080  -2.380 -24.270
   98   2HZ   LYS  13          HZ2       LYS  13  -0.133  -2.094 -23.226
   99   3HZ   LYS  13          HZ3       LYS  13   1.392  -2.232 -22.663
  100    H    VAL  14           H        VAL  14   1.437  -2.335 -17.577
  101    HA   VAL  14           HA       VAL  14   0.956  -3.463 -14.895
  102    HB   VAL  14           HB       VAL  14   2.231  -0.729 -15.394
  103   1HG1  VAL  14          HG11      VAL  14   0.824  -0.684 -13.392
  104   2HG1  VAL  14          HG12      VAL  14   1.539  -2.205 -12.803
  105   3HG1  VAL  14          HG13      VAL  14   2.511  -0.730 -12.892
  106   1HG2  VAL  14          HG21      VAL  14   4.207  -1.659 -14.192
  107   2HG2  VAL  14          HG22      VAL  14   3.444  -3.270 -14.261
  108   3HG2  VAL  14          HG23      VAL  14   3.944  -2.435 -15.750
  109    H    HIS  15           H        HIS  15  -0.961  -2.597 -14.015
  110    HA   HIS  15           HA       HIS  15  -2.631  -1.057 -15.963
  111   1HB   HIS  15          HB2       HIS  15  -3.692  -3.104 -14.028
  112   2HB   HIS  15          HB3       HIS  15  -4.397  -2.536 -15.537
  113    HD1  HIS  15           HD1      HIS  15  -2.211  -3.276 -17.660
  114    HD2  HIS  15           HD2      HIS  15  -3.009  -5.544 -14.211
  115    HE1  HIS  15           HE1      HIS  15  -1.166  -5.579 -18.043
  116    H    VAL  16           H        VAL  16  -1.646  -1.385 -12.582
  117    HA   VAL  16           HA       VAL  16  -3.645   0.384 -11.492
  118    HB   VAL  16           HB       VAL  16  -2.010   0.590  -9.604
  119   1HG1  VAL  16          HG11      VAL  16  -3.784  -1.099  -9.607
  120   2HG1  VAL  16          HG12      VAL  16  -2.719  -2.242 -10.444
  121   3HG1  VAL  16          HG13      VAL  16  -2.327  -1.687  -8.797
  122   1HG2  VAL  16          HG21      VAL  16  -0.059  -0.798  -9.472
  123   2HG2  VAL  16          HG22      VAL  16  -0.352  -1.488 -11.081
  124   3HG2  VAL  16          HG23      VAL  16   0.083   0.225 -10.902
  125    H    LYS  17           H        LYS  17  -3.236   2.503 -10.638
  126    HA   LYS  17           HA       LYS  17  -1.121   4.146 -11.716
  127   1HB   LYS  17          HB2       LYS  17  -2.734   5.770 -12.762
  128   2HB   LYS  17          HB3       LYS  17  -2.557   4.247 -13.622
  129   1HG   LYS  17          HG2       LYS  17  -4.729   3.458 -12.496
  130   2HG   LYS  17          HG3       LYS  17  -4.891   5.090 -11.850
  131   1HD   LYS  17          HD2       LYS  17  -6.258   4.881 -13.830
  132   2HD   LYS  17          HD3       LYS  17  -4.929   5.980 -14.170
  133   1HE   LYS  17          HE2       LYS  17  -5.285   4.565 -16.085
  134   2HE   LYS  17          HE3       LYS  17  -3.720   4.170 -15.384
  135   1HZ   LYS  17          HZ1       LYS  17  -6.194   2.592 -14.917
  136   2HZ   LYS  17          HZ2       LYS  17  -5.078   2.231 -16.040
  137   3HZ   LYS  17          HZ3       LYS  17  -4.672   2.146 -14.475
  138    H    ALA  18           H        ALA  18  -1.194   6.278 -10.540
  139    HA   ALA  18           HA       ALA  18  -1.797   5.950  -7.800
  140   1HB   ALA  18          HB1       ALA  18  -0.153   7.587  -8.630
  141   2HB   ALA  18          HB2       ALA  18  -1.460   8.536  -9.383
  142   3HB   ALA  18          HB3       ALA  18  -1.378   8.373  -7.617
  143    H    GLY  19           H        GLY  19  -3.627   6.197  -6.607
  144   1HA   GLY  19          HA2       GLY  19  -5.694   7.037  -5.997
  145   2HA   GLY  19          HA3       GLY  19  -5.908   7.775  -7.589
  146    H    ASP  20           H        ASP  20  -4.949   4.691  -8.397
  147    HA   ASP  20           HA       ASP  20  -7.627   3.675  -8.849
  148   1HB   ASP  20          HB2       ASP  20  -5.563   3.118 -10.253
  149   2HB   ASP  20          HB3       ASP  20  -4.994   2.158  -8.898
  150    H    GLN  21           H        GLN  21  -8.205   1.432  -7.946
  151    HA   GLN  21           HA       GLN  21  -7.428   1.165  -5.076
  152   1HB   GLN  21          HB2       GLN  21  -9.601   2.228  -5.181
  153   2HB   GLN  21          HB3       GLN  21 -10.212   1.024  -6.305
  154   1HG   GLN  21          HG2       GLN  21  -9.150   0.074  -3.633
  155   2HG   GLN  21          HG3       GLN  21 -10.676   0.941  -3.649
  156   1HE2  GLN  21          HE22      GLN  21  -9.541  -2.156  -3.575
  157   2HE2  GLN  21          HE21      GLN  21 -10.856  -2.943  -4.417
  158    H    ILE  22           H        ILE  22  -7.041  -0.883  -4.421
  159    HA   ILE  22           HA       ILE  22  -7.493  -3.094  -6.332
  160    HB   ILE  22           HB       ILE  22  -5.324  -3.978  -5.983
  161   1HG1  ILE  22          HG12      ILE  22  -4.844  -1.701  -4.024
  162   2HG1  ILE  22          HG13      ILE  22  -4.878  -3.435  -3.688
  163   1HG2  ILE  22          HG21      ILE  22  -5.617  -2.222  -7.757
  164   2HG2  ILE  22          HG22      ILE  22  -4.918  -1.033  -6.639
  165   3HG2  ILE  22          HG23      ILE  22  -3.957  -2.412  -7.200
  166   1HD1  ILE  22          HD11      ILE  22  -2.832  -3.638  -5.224
  167   2HD1  ILE  22          HD12      ILE  22  -2.771  -1.865  -5.181
  168   3HD1  ILE  22          HD13      ILE  22  -2.605  -2.800  -3.681
  169    H    GLU  23           H        GLU  23  -7.462  -5.187  -5.301
  170    HA   GLU  23           HA       GLU  23  -8.060  -5.242  -2.421
  171   1HB   GLU  23          HB2       GLU  23 -10.200  -5.068  -3.575
  172   2HB   GLU  23          HB3       GLU  23  -9.774  -6.421  -4.641
  173   1HG   GLU  23          HG2       GLU  23  -9.719  -7.942  -2.687
  174   2HG   GLU  23          HG3       GLU  23 -10.048  -6.586  -1.605
  175    H    LYS  24           H        LYS  24  -7.321  -7.268  -1.527
  176    HA   LYS  24           HA       LYS  24  -5.049  -8.404  -2.607
  177   1HB   LYS  24          HB2       LYS  24  -5.908  -8.640  -0.264
  178   2HB   LYS  24          HB3       LYS  24  -7.088  -9.827  -0.835
  179   1HG   LYS  24          HG2       LYS  24  -5.218 -11.294  -1.606
  180   2HG   LYS  24          HG3       LYS  24  -4.057 -10.084  -1.048
  181   1HD   LYS  24          HD2       LYS  24  -5.050 -10.355   1.300
  182   2HD   LYS  24          HD3       LYS  24  -6.050 -11.654   0.642
  183   1HE   LYS  24          HE2       LYS  24  -4.268 -12.835   1.557
  184   2HE   LYS  24          HE3       LYS  24  -3.837 -12.741  -0.152
  185   1HZ   LYS  24          HZ1       LYS  24  -2.405 -10.793   0.478
  186   2HZ   LYS  24          HZ2       LYS  24  -2.750 -11.080   2.048
  187   3HZ   LYS  24          HZ3       LYS  24  -1.942 -12.199   1.185
  188    H    GLY  25           H        GLY  25  -4.628  -9.622  -4.379
  189   1HA   GLY  25          HA2       GLY  25  -4.831 -11.488  -5.749
  190   2HA   GLY  25          HA3       GLY  25  -6.496 -11.739  -5.225
  191    H    GLN  26           H        GLN  26  -6.544  -8.495  -5.961
  192    HA   GLN  26           HA       GLN  26  -7.691  -8.796  -8.593
  193   1HB   GLN  26          HB2       GLN  26  -8.219  -6.993  -6.903
  194   2HB   GLN  26          HB3       GLN  26  -6.607  -6.314  -7.183
  195   1HG   GLN  26          HG2       GLN  26  -7.227  -5.951  -9.583
  196   2HG   GLN  26          HG3       GLN  26  -8.841  -6.583  -9.246
  197   1HE2  GLN  26          HE22      GLN  26  -7.085  -3.725  -9.518
  198   2HE2  GLN  26          HE21      GLN  26  -8.050  -2.683  -8.483
  199    H    GLU  27           H        GLU  27  -6.669  -8.405 -10.601
  200    HA   GLU  27           HA       GLU  27  -3.825  -8.822 -10.787
  201   1HB   GLU  27          HB2       GLU  27  -5.562  -9.534 -12.456
  202   2HB   GLU  27          HB3       GLU  27  -5.798  -7.837 -12.892
  203   1HG   GLU  27          HG2       GLU  27  -3.428  -7.711 -13.633
  204   2HG   GLU  27          HG3       GLU  27  -3.170  -9.379 -13.115
  205    H    VAL  28           H        VAL  28  -2.217  -7.378 -11.309
  206    HA   VAL  28           HA       VAL  28  -2.773  -4.455 -11.071
  207    HB   VAL  28           HB       VAL  28  -0.950  -6.284  -9.467
  208   1HG1  VAL  28          HG11      VAL  28   0.490  -4.385 -10.172
  209   2HG1  VAL  28          HG12      VAL  28  -0.690  -3.262  -9.481
  210   3HG1  VAL  28          HG13      VAL  28   0.163  -4.414  -8.438
  211   1HG2  VAL  28          HG21      VAL  28  -3.184  -5.874  -8.534
  212   2HG2  VAL  28          HG22      VAL  28  -1.963  -5.055  -7.549
  213   3HG2  VAL  28          HG23      VAL  28  -2.963  -4.128  -8.683
  214    H    ALA  29           H        ALA  29  -0.584  -7.098 -12.202
  215    HA   ALA  29           HA       ALA  29   0.279  -5.473 -14.454
  216   1HB   ALA  29          HB1       ALA  29   2.257  -6.288 -12.253
  217   2HB   ALA  29          HB2       ALA  29   2.711  -5.659 -13.843
  218   3HB   ALA  29          HB3       ALA  29   1.824  -4.636 -12.710
  219    H    ILE  30           H        ILE  30   2.161  -6.863 -15.539
  220    HA   ILE  30           HA       ILE  30   1.704  -9.770 -15.237
  221    HB   ILE  30           HB       ILE  30   1.515  -8.172 -17.822
  222   1HG1  ILE  30          HG12      ILE  30  -0.436 -10.168 -16.574
  223   2HG1  ILE  30          HG13      ILE  30  -0.595  -8.420 -16.483
  224   1HG2  ILE  30          HG21      ILE  30   1.650 -11.214 -17.525
  225   2HG2  ILE  30          HG22      ILE  30   1.421 -10.324 -19.046
  226   3HG2  ILE  30          HG23      ILE  30   2.943 -10.204 -18.201
  227   1HD1  ILE  30          HD11      ILE  30  -0.788  -8.280 -18.946
  228   2HD1  ILE  30          HD12      ILE  30  -0.789 -10.063 -19.022
  229   3HD1  ILE  30          HD13      ILE  30  -2.080  -9.208 -18.170
  230    H    LEU  31           H        LEU  31   3.580 -10.888 -15.593
  231    HA   LEU  31           HA       LEU  31   6.126  -9.354 -15.905
  232   1HB   LEU  31          HB2       LEU  31   5.754 -10.033 -13.647
  233   2HB   LEU  31          HB3       LEU  31   5.277 -11.675 -14.107
  234    HG   LEU  31           HG       LEU  31   7.452 -11.328 -12.947
  235   1HD1  LEU  31          HD11      LEU  31   7.674 -12.785 -15.601
  236   2HD1  LEU  31          HD12      LEU  31   8.683 -13.014 -14.162
  237   3HD1  LEU  31          HD13      LEU  31   6.960 -13.416 -14.108
  238   1HD2  LEU  31          HD21      LEU  31   8.610 -10.462 -15.586
  239   2HD2  LEU  31          HD22      LEU  31   8.091  -9.301 -14.349
  240   3HD2  LEU  31          HD23      LEU  31   9.353 -10.485 -13.971
  241    H    GLU  32           H        GLU  32   7.460 -10.131 -17.502
  242    HA   GLU  32           HA       GLU  32   6.728 -12.649 -18.917
  243   1HB   GLU  32          HB2       GLU  32   6.687 -10.630 -20.328
  244   2HB   GLU  32          HB3       GLU  32   8.330 -10.216 -19.821
  245   1HG   GLU  32          HG2       GLU  32   9.119 -12.398 -20.831
  246   2HG   GLU  32          HG3       GLU  32   7.476 -12.685 -21.399
  247    H    SER  33           H        SER  33   8.119 -14.318 -18.563
  248    HA   SER  33           HA       SER  33  10.933 -14.036 -18.326
  249   1HB   SER  33          HB2       SER  33  10.130 -13.311 -15.960
  250   2HB   SER  33          HB3       SER  33   9.614 -14.986 -15.741
  251    HG   SER  33           HG       SER  33  11.820 -14.227 -15.086
  252    H    MET  34           H        MET  34  11.834 -16.333 -17.777
  253    HA   MET  34           HA       MET  34  11.971 -18.462 -18.582
  254   1HB   MET  34          HB2       MET  34  10.567 -20.014 -17.256
  255   2HB   MET  34          HB3       MET  34  11.376 -18.761 -16.327
  256   1HG   MET  34          HG2       MET  34   9.271 -17.475 -16.194
  257   2HG   MET  34          HG3       MET  34   8.431 -18.748 -17.085
  258   1HE   MET  34          HE1       MET  34   7.197 -18.650 -13.261
  259   2HE   MET  34          HE2       MET  34   7.836 -17.277 -14.186
  260   3HE   MET  34          HE3       MET  34   6.695 -18.409 -14.947
  261    H    LYS  35           H        LYS  35  10.907 -16.995 -20.593
  262    HA   LYS  35           HA       LYS  35   9.778 -17.008 -22.529
  263   1HB   LYS  35          HB2       LYS  35   9.962 -20.032 -22.259
  264   2HB   LYS  35          HB3       LYS  35   9.644 -19.132 -23.745
  265   1HG   LYS  35          HG2       LYS  35  11.857 -18.009 -23.546
  266   2HG   LYS  35          HG3       LYS  35  12.207 -18.980 -22.102
  267   1HD   LYS  35          HD2       LYS  35  11.979 -21.058 -23.435
  268   2HD   LYS  35          HD3       LYS  35  11.639 -20.087 -24.886
  269   1HE   LYS  35          HE2       LYS  35  13.857 -18.987 -24.662
  270   2HE   LYS  35          HE3       LYS  35  14.196 -19.954 -23.222
  271   1HZ   LYS  35          HZ1       LYS  35  15.209 -20.912 -25.188
  272   2HZ   LYS  35          HZ2       LYS  35  14.088 -21.941 -24.612
  273   3HZ   LYS  35          HZ3       LYS  35  13.775 -21.046 -25.944
  274    H    MET  36           H        MET  36   8.086 -16.731 -20.204
  275    HA   MET  36           HA       MET  36   5.479 -17.423 -21.403
  276   1HB   MET  36          HB2       MET  36   6.388 -18.054 -18.549
  277   2HB   MET  36          HB3       MET  36   4.702 -18.059 -19.071
  278   1HG   MET  36          HG2       MET  36   5.202 -19.837 -20.712
  279   2HG   MET  36          HG3       MET  36   6.876 -19.878 -20.149
  280   1HE   MET  36          HE1       MET  36   6.794 -22.446 -19.744
  281   2HE   MET  36          HE2       MET  36   5.522 -23.268 -18.814
  282   3HE   MET  36          HE3       MET  36   5.121 -22.469 -20.350
  283    H    GLU  37           H        GLU  37   3.749 -16.247 -20.069
  284    HA   GLU  37           HA       GLU  37   4.719 -13.724 -18.862
  285   1HB   GLU  37          HB2       GLU  37   2.212 -14.009 -20.572
  286   2HB   GLU  37          HB3       GLU  37   2.707 -12.600 -19.645
  287   1HG   GLU  37          HG2       GLU  37   3.360 -12.015 -21.780
  288   2HG   GLU  37          HG3       GLU  37   4.861 -12.575 -21.060
  289    H    ILE  38           H        ILE  38   3.728 -13.319 -16.904
  290    HA   ILE  38           HA       ILE  38   1.864 -15.369 -15.828
  291    HB   ILE  38           HB       ILE  38   4.395 -14.273 -14.497
  292   1HG1  ILE  38          HG12      ILE  38   4.903 -16.927 -14.634
  293   2HG1  ILE  38          HG13      ILE  38   3.948 -16.800 -16.096
  294   1HG2  ILE  38          HG21      ILE  38   2.599 -14.873 -12.903
  295   2HG2  ILE  38          HG22      ILE  38   2.495 -16.495 -13.625
  296   3HG2  ILE  38          HG23      ILE  38   3.966 -15.973 -12.776
  297   1HD1  ILE  38          HD11      ILE  38   6.331 -16.594 -16.598
  298   2HD1  ILE  38          HD12      ILE  38   5.598 -15.013 -16.897
  299   3HD1  ILE  38          HD13      ILE  38   6.519 -15.298 -15.410
  300    HA   PRO  39           HA       PRO  39  -0.017 -11.462 -14.585
  301   1HB   PRO  39          HB2       PRO  39  -1.936 -12.340 -12.830
  302   2HB   PRO  39          HB3       PRO  39  -2.066 -12.530 -14.607
  303   1HG   PRO  39          HG2       PRO  39  -1.112 -14.572 -12.579
  304   2HG   PRO  39          HG3       PRO  39  -2.287 -14.802 -13.915
  305   1HD   PRO  39          HD2       PRO  39   0.337 -15.505 -14.150
  306   2HD   PRO  39          HD3       PRO  39  -0.571 -14.834 -15.537
  307    H    ILE  40           H        ILE  40   0.057 -10.040 -12.839
  308    HA   ILE  40           HA       ILE  40   1.322 -10.936 -10.292
  309    HB   ILE  40           HB       ILE  40   1.767  -8.416 -11.918
  310   1HG1  ILE  40          HG12      ILE  40   3.071 -10.274 -12.824
  311   2HG1  ILE  40          HG13      ILE  40   4.064  -8.987 -12.170
  312   1HG2  ILE  40          HG21      ILE  40   1.718  -7.778  -9.588
  313   2HG2  ILE  40          HG22      ILE  40   2.852  -9.076  -9.160
  314   3HG2  ILE  40          HG23      ILE  40   3.366  -7.720 -10.194
  315   1HD1  ILE  40          HD11      ILE  40   3.478 -11.618 -10.738
  316   2HD1  ILE  40          HD12      ILE  40   4.958 -11.210 -11.622
  317   3HD1  ILE  40          HD13      ILE  40   4.550 -10.321 -10.153
  318    H    VAL  41           H        VAL  41   0.222 -10.236  -8.530
  319    HA   VAL  41           HA       VAL  41  -2.281  -8.697  -8.966
  320    HB   VAL  41           HB       VAL  41  -3.245 -10.288  -7.230
  321   1HG1  VAL  41          HG11      VAL  41  -2.456 -11.456  -9.928
  322   2HG1  VAL  41          HG12      VAL  41  -3.683 -12.127  -8.828
  323   3HG1  VAL  41          HG13      VAL  41  -3.924 -10.533  -9.518
  324   1HG2  VAL  41          HG21      VAL  41  -1.074 -11.242  -6.412
  325   2HG2  VAL  41          HG22      VAL  41  -2.261 -12.461  -6.894
  326   3HG2  VAL  41          HG23      VAL  41  -0.905 -12.091  -7.971
  327    H    ALA  42           H        ALA  42  -3.189  -7.787  -7.051
  328    HA   ALA  42           HA       ALA  42  -1.434  -6.333  -5.344
  329   1HB   ALA  42          HB1       ALA  42  -3.574  -5.758  -4.227
  330   2HB   ALA  42          HB2       ALA  42  -3.747  -5.658  -5.990
  331   3HB   ALA  42          HB3       ALA  42  -4.391  -7.054  -5.117
  332    H    ASP  43           H        ASP  43  -0.217  -7.275  -3.760
  333    HA   ASP  43           HA       ASP  43  -0.780  -9.809  -2.536
  334   1HB   ASP  43          HB2       ASP  43   1.481  -8.849  -2.658
  335   2HB   ASP  43          HB3       ASP  43   0.983  -7.498  -1.634
  336    H    ARG  44           H        ARG  44  -1.995  -6.593  -1.925
  337    HA   ARG  44           HA       ARG  44  -3.768  -7.555   0.159
  338   1HB   ARG  44          HB2       ARG  44  -3.155  -5.704   1.723
  339   2HB   ARG  44          HB3       ARG  44  -1.924  -6.952   1.613
  340   1HG   ARG  44          HG2       ARG  44  -0.414  -5.605   0.435
  341   2HG   ARG  44          HG3       ARG  44  -1.659  -4.512  -0.169
  342   1HD   ARG  44          HD2       ARG  44  -0.878  -4.677   2.755
  343   2HD   ARG  44          HD3       ARG  44  -0.181  -3.533   1.586
  344    HE   ARG  44           HE       ARG  44  -2.948  -3.268   1.318
  345   1HH1  ARG  44          HH21      ARG  44  -0.636  -2.692   3.958
  346   2HH1  ARG  44          HH22      ARG  44  -1.603  -1.469   4.697
  347   1HH2  ARG  44          HH11      ARG  44  -4.197  -1.757   2.253
  348   2HH2  ARG  44          HH12      ARG  44  -3.720  -0.906   3.696
  349    H    SER  45           H        SER  45  -5.456  -5.897   0.582
  350    HA   SER  45           HA       SER  45  -6.181  -4.381  -1.743
  351   1HB   SER  45          HB2       SER  45  -7.303  -4.291   1.083
  352   2HB   SER  45          HB3       SER  45  -8.162  -3.893  -0.418
  353    HG   SER  45           HG       SER  45  -8.569  -6.044   0.476
  354    H    GLY  46           H        GLY  46  -6.603  -2.024  -1.780
  355   1HA   GLY  46          HA2       GLY  46  -6.234  -0.181   0.180
  356   2HA   GLY  46          HA3       GLY  46  -4.584  -0.416  -0.409
  357    H    ILE  47           H        ILE  47  -5.143   1.983  -0.778
  358    HA   ILE  47           HA       ILE  47  -6.166   2.424  -3.546
  359    HB   ILE  47           HB       ILE  47  -5.444   4.361  -1.295
  360   1HG1  ILE  47          HG12      ILE  47  -7.591   3.313  -0.838
  361   2HG1  ILE  47          HG13      ILE  47  -7.810   4.997  -1.275
  362   1HG2  ILE  47          HG21      ILE  47  -6.374   4.955  -4.135
  363   2HG2  ILE  47          HG22      ILE  47  -6.365   6.141  -2.811
  364   3HG2  ILE  47          HG23      ILE  47  -4.849   5.434  -3.367
  365   1HD1  ILE  47          HD11      ILE  47  -9.545   3.640  -2.312
  366   2HD1  ILE  47          HD12      ILE  47  -8.500   4.289  -3.588
  367   3HD1  ILE  47          HD13      ILE  47  -8.339   2.594  -3.074
  368    H    VAL  48           H        VAL  48  -4.651   2.934  -5.090
  369    HA   VAL  48           HA       VAL  48  -1.856   2.325  -4.598
  370    HB   VAL  48           HB       VAL  48  -3.306   3.496  -6.993
  371   1HG1  VAL  48          HG11      VAL  48  -1.333   2.691  -8.280
  372   2HG1  VAL  48          HG12      VAL  48  -0.884   3.957  -7.134
  373   3HG1  VAL  48          HG13      VAL  48  -0.513   2.268  -6.762
  374   1HG2  VAL  48          HG21      VAL  48  -3.170   1.178  -7.875
  375   2HG2  VAL  48          HG22      VAL  48  -2.529   0.624  -6.312
  376   3HG2  VAL  48          HG23      VAL  48  -4.172   1.271  -6.442
  377    H    LYS  49           H        LYS  49  -0.751   3.764  -3.285
  378    HA   LYS  49           HA       LYS  49  -1.255   6.635  -3.343
  379   1HB   LYS  49          HB2       LYS  49  -0.369   5.444  -1.334
  380   2HB   LYS  49          HB3       LYS  49   1.123   5.081  -2.215
  381   1HG   LYS  49          HG2       LYS  49   1.521   7.544  -2.477
  382   2HG   LYS  49          HG3       LYS  49   0.046   7.848  -1.536
  383   1HD   LYS  49          HD2       LYS  49   1.079   6.600   0.397
  384   2HD   LYS  49          HD3       LYS  49   2.523   6.342  -0.582
  385   1HE   LYS  49          HE2       LYS  49   2.985   8.167   0.881
  386   2HE   LYS  49          HE3       LYS  49   2.856   8.804  -0.759
  387   1HZ   LYS  49          HZ1       LYS  49   0.619   9.579  -0.204
  388   2HZ   LYS  49          HZ2       LYS  49   0.730   8.953   1.307
  389   3HZ   LYS  49          HZ3       LYS  49   1.695  10.182   0.856
  390    H    GLU  50           H        GLU  50   1.345   4.399  -4.597
  391    HA   GLU  50           HA       GLU  50   1.675   6.136  -6.923
  392   1HB   GLU  50          HB2       GLU  50   2.987   7.326  -5.142
  393   2HB   GLU  50          HB3       GLU  50   3.971   5.878  -4.916
  394   1HG   GLU  50          HG2       GLU  50   4.849   6.058  -7.170
  395   2HG   GLU  50          HG3       GLU  50   3.684   7.320  -7.588
  396    H    VAL  51           H        VAL  51   2.468   4.935  -8.634
  397    HA   VAL  51           HA       VAL  51   3.201   2.112  -8.152
  398    HB   VAL  51           HB       VAL  51   2.888   3.584 -10.805
  399   1HG1  VAL  51          HG11      VAL  51   4.057   1.397 -10.953
  400   2HG1  VAL  51          HG12      VAL  51   2.717   0.612 -10.088
  401   3HG1  VAL  51          HG13      VAL  51   2.459   1.316 -11.696
  402   1HG2  VAL  51          HG21      VAL  51   0.770   2.039  -9.248
  403   2HG2  VAL  51          HG22      VAL  51   0.727   3.774  -9.639
  404   3HG2  VAL  51          HG23      VAL  51   0.615   2.589 -10.933
  405    H    LYS  52           H        LYS  52   5.310   1.351  -8.546
  406    HA   LYS  52           HA       LYS  52   7.382   3.510  -8.644
  407   1HB   LYS  52          HB2       LYS  52   7.437   0.778  -7.312
  408   2HB   LYS  52          HB3       LYS  52   8.702   1.997  -7.206
  409   1HG   LYS  52          HG2       LYS  52   5.880   2.317  -6.091
  410   2HG   LYS  52          HG3       LYS  52   7.296   1.827  -5.176
  411   1HD   LYS  52          HD2       LYS  52   8.368   4.014  -5.633
  412   2HD   LYS  52          HD3       LYS  52   6.905   4.536  -6.519
  413   1HE   LYS  52          HE2       LYS  52   5.526   4.206  -4.543
  414   2HE   LYS  52          HE3       LYS  52   6.883   3.507  -3.651
  415   1HZ   LYS  52          HZ1       LYS  52   6.729   6.327  -4.551
  416   2HZ   LYS  52          HZ2       LYS  52   6.453   5.768  -3.023
  417   3HZ   LYS  52          HZ3       LYS  52   7.957   5.659  -3.681
  418    H    LYS  53           H        LYS  53   6.126   1.537 -10.824
  419    HA   LYS  53           HA       LYS  53   8.651   0.898 -12.194
  420   1HB   LYS  53          HB2       LYS  53   6.457  -1.110 -11.474
  421   2HB   LYS  53          HB3       LYS  53   7.652  -1.397 -12.731
  422   1HG   LYS  53          HG2       LYS  53   8.399  -0.959  -9.819
  423   2HG   LYS  53          HG3       LYS  53   8.157  -2.538 -10.581
  424   1HD   LYS  53          HD2       LYS  53   9.896  -2.027 -12.254
  425   2HD   LYS  53          HD3       LYS  53  10.200  -0.461 -11.476
  426   1HE   LYS  53          HE2       LYS  53  10.987  -1.553  -9.446
  427   2HE   LYS  53          HE3       LYS  53  10.541  -3.138 -10.052
  428   1HZ   LYS  53          HZ1       LYS  53  12.632  -1.373 -11.184
  429   2HZ   LYS  53          HZ2       LYS  53  12.827  -2.841 -10.430
  430   3HZ   LYS  53          HZ3       LYS  53  12.143  -2.755 -11.909
  431    H    LYS  54           H        LYS  54   7.844  -0.156 -14.462
  432    HA   LYS  54           HA       LYS  54   5.405   1.117 -15.439
  433   1HB   LYS  54          HB2       LYS  54   6.470   2.335 -17.225
  434   2HB   LYS  54          HB3       LYS  54   7.136   2.915 -15.702
  435   1HG   LYS  54          HG2       LYS  54   9.207   1.674 -16.052
  436   2HG   LYS  54          HG3       LYS  54   8.524   0.818 -17.431
  437   1HD   LYS  54          HD2       LYS  54   8.234   3.199 -18.505
  438   2HD   LYS  54          HD3       LYS  54   9.374   3.706 -17.252
  439   1HE   LYS  54          HE2       LYS  54  10.724   3.195 -19.135
  440   2HE   LYS  54          HE3       LYS  54  10.908   1.811 -18.053
  441   1HZ   LYS  54          HZ1       LYS  54   9.189   0.663 -19.463
  442   2HZ   LYS  54          HZ2       LYS  54   9.200   1.946 -20.473
  443   3HZ   LYS  54          HZ3       LYS  54  10.548   1.056 -20.293
  444    H    GLU  55           H        GLU  55   5.190   0.502 -17.848
  445    HA   GLU  55           HA       GLU  55   5.321  -2.303 -18.207
  446   1HB   GLU  55          HB2       GLU  55   5.281  -0.124 -20.352
  447   2HB   GLU  55          HB3       GLU  55   4.794  -1.805 -20.559
  448   1HG   GLU  55          HG2       GLU  55   2.883  -1.430 -19.003
  449   2HG   GLU  55          HG3       GLU  55   3.387   0.241 -18.787
  450    H    GLY  56           H        GLY  56   6.879  -3.622 -18.920
  451   1HA   GLY  56          HA2       GLY  56   8.693  -4.434 -20.009
  452   2HA   GLY  56          HA3       GLY  56   8.892  -2.868 -20.810
  453    H    ASP  57           H        ASP  57   8.943  -2.309 -17.418
  454    HA   ASP  57           HA       ASP  57  11.812  -1.845 -17.497
  455   1HB   ASP  57          HB2       ASP  57  10.251  -0.450 -16.149
  456   2HB   ASP  57          HB3       ASP  57   9.960  -1.835 -15.088
  457    H    PHE  58           H        PHE  58  13.358  -2.868 -16.048
  458    HA   PHE  58           HA       PHE  58  13.149  -5.782 -15.929
  459   1HB   PHE  58          HB2       PHE  58  15.299  -4.638 -16.316
  460   2HB   PHE  58          HB3       PHE  58  15.134  -3.783 -14.789
  461    HD1  PHE  58           HD1      PHE  58  15.776  -7.099 -16.351
  462    HD2  PHE  58           HD2      PHE  58  15.692  -4.847 -12.670
  463    HE1  PHE  58           HE1      PHE  58  17.031  -8.909 -15.213
  464    HE2  PHE  58           HE2      PHE  58  16.960  -6.657 -11.540
  465    HZ   PHE  58           HZ       PHE  58  17.652  -8.679 -12.817
  466    H    VAL  59           H        VAL  59  12.789  -7.026 -14.056
  467    HA   VAL  59           HA       VAL  59  12.347  -5.670 -11.496
  468    HB   VAL  59           HB       VAL  59  10.243  -7.089 -11.205
  469   1HG1  VAL  59          HG11      VAL  59   8.774  -5.313 -12.044
  470   2HG1  VAL  59          HG12      VAL  59  10.211  -4.668 -11.253
  471   3HG1  VAL  59          HG13      VAL  59  10.091  -4.662 -13.031
  472   1HG2  VAL  59          HG21      VAL  59   8.852  -7.516 -13.151
  473   2HG2  VAL  59          HG22      VAL  59  10.115  -6.925 -14.243
  474   3HG2  VAL  59          HG23      VAL  59  10.381  -8.409 -13.298
  475    H    ASN  60           H        ASN  60  12.179  -7.251  -9.710
  476    HA   ASN  60           HA       ASN  60  13.472  -9.798 -10.274
  477   1HB   ASN  60          HB2       ASN  60  15.107  -7.604  -9.817
  478   2HB   ASN  60          HB3       ASN  60  14.905  -8.253  -8.189
  479   1HD2  ASN  60          HD22      ASN  60  15.515  -9.291 -11.589
  480   2HD2  ASN  60          HD21      ASN  60  16.649 -10.564 -11.180
  481    H    GLU  61           H        GLU  61  13.892 -11.016  -8.234
  482    HA   GLU  61           HA       GLU  61  11.466 -11.234  -6.742
  483   1HB   GLU  61          HB2       GLU  61  12.918 -13.127  -7.279
  484   2HB   GLU  61          HB3       GLU  61  14.249 -12.423  -6.369
  485   1HG   GLU  61          HG2       GLU  61  12.802 -12.580  -4.284
  486   2HG   GLU  61          HG3       GLU  61  11.558 -13.358  -5.263
  487    H    GLY  62           H        GLY  62  10.828  -9.662  -5.379
  488   1HA   GLY  62          HA2       GLY  62  10.884  -8.653  -3.279
  489   2HA   GLY  62          HA3       GLY  62  12.651  -8.704  -3.256
  490    H    ASP  63           H        ASP  63  11.640  -7.600  -6.374
  491    HA   ASP  63           HA       ASP  63  12.576  -4.913  -5.731
  492   1HB   ASP  63          HB2       ASP  63  13.137  -6.290  -7.812
  493   2HB   ASP  63          HB3       ASP  63  11.484  -6.000  -8.356
  494    H    VAL  64           H        VAL  64  11.229  -3.144  -5.458
  495    HA   VAL  64           HA       VAL  64   8.525  -3.613  -4.720
  496    HB   VAL  64           HB       VAL  64  10.018  -1.007  -5.249
  497   1HG1  VAL  64          HG11      VAL  64   8.314  -0.019  -3.672
  498   2HG1  VAL  64          HG12      VAL  64   7.636  -0.520  -5.221
  499   3HG1  VAL  64          HG13      VAL  64   7.394  -1.538  -3.791
  500   1HG2  VAL  64          HG21      VAL  64  10.282  -0.966  -2.769
  501   2HG2  VAL  64          HG22      VAL  64   9.538  -2.576  -2.671
  502   3HG2  VAL  64          HG23      VAL  64  11.103  -2.351  -3.480
  503    H    LEU  65           H        LEU  65   6.581  -2.937  -5.665
  504    HA   LEU  65           HA       LEU  65   6.625  -2.450  -8.611
  505   1HB   LEU  65          HB2       LEU  65   5.872  -4.713  -8.038
  506   2HB   LEU  65          HB3       LEU  65   4.717  -4.069  -6.876
  507    HG   LEU  65           HG       LEU  65   3.463  -2.957  -8.724
  508   1HD1  LEU  65          HD11      LEU  65   5.475  -4.366 -10.507
  509   2HD1  LEU  65          HD12      LEU  65   3.921  -3.689 -11.053
  510   3HD1  LEU  65          HD13      LEU  65   5.156  -2.624 -10.388
  511   1HD2  LEU  65          HD21      LEU  65   2.604  -5.129  -9.692
  512   2HD2  LEU  65          HD22      LEU  65   3.947  -5.950  -8.872
  513   3HD2  LEU  65          HD23      LEU  65   2.717  -5.105  -7.923
  514    H    LEU  66           H        LEU  66   4.773  -1.913  -5.504
  515    HA   LEU  66           HA       LEU  66   4.362   0.825  -6.301
  516   1HB   LEU  66          HB2       LEU  66   2.011   0.952  -6.366
  517   2HB   LEU  66          HB3       LEU  66   2.528  -0.140  -7.625
  518    HG   LEU  66           HG       LEU  66   1.551  -1.244  -4.956
  519   1HD1  LEU  66          HD11      LEU  66  -0.137  -0.269  -7.297
  520   2HD1  LEU  66          HD12      LEU  66  -0.724  -1.320  -5.995
  521   3HD1  LEU  66          HD13      LEU  66  -0.159   0.317  -5.625
  522   1HD2  LEU  66          HD21      LEU  66   1.379  -2.272  -7.830
  523   2HD2  LEU  66          HD22      LEU  66   2.528  -2.838  -6.602
  524   3HD2  LEU  66          HD23      LEU  66   0.800  -3.118  -6.380
  525    H    GLU  67           H        GLU  67   3.048   2.034  -4.713
  526    HA   GLU  67           HA       GLU  67   3.383   1.034  -1.933
  527   1HB   GLU  67          HB2       GLU  67   5.140   2.624  -2.585
  528   2HB   GLU  67          HB3       GLU  67   3.918   3.788  -3.130
  529   1HG   GLU  67          HG2       GLU  67   3.118   4.072  -0.841
  530   2HG   GLU  67          HG3       GLU  67   4.180   2.776  -0.276
  531    H    LEU  68           H        LEU  68   1.686   1.750  -0.507
  532    HA   LEU  68           HA       LEU  68  -0.824   2.479  -1.936
  533   1HB   LEU  68          HB2       LEU  68  -0.451   0.443   0.292
  534   2HB   LEU  68          HB3       LEU  68  -1.975   0.865  -0.472
  535    HG   LEU  68           HG       LEU  68   0.345  -0.570  -1.814
  536   1HD1  LEU  68          HD11      LEU  68  -1.182  -2.486  -1.834
  537   2HD1  LEU  68          HD12      LEU  68  -0.936  -1.917  -0.178
  538   3HD1  LEU  68          HD13      LEU  68  -2.444  -1.529  -1.035
  539   1HD2  LEU  68          HD21      LEU  68  -1.192  -0.884  -3.702
  540   2HD2  LEU  68          HD22      LEU  68  -2.391   0.182  -2.932
  541   3HD2  LEU  68          HD23      LEU  68  -0.809   0.814  -3.455
  542    H    SER  69           H        SER  69  -2.555   3.112  -0.562
  543    HA   SER  69           HA       SER  69  -1.983   4.147   2.118
  544   1HB   SER  69          HB2       SER  69  -3.108   5.748  -0.216
  545   2HB   SER  69          HB3       SER  69  -3.493   6.160   1.463
  546    HG   SER  69           HG       SER  69  -1.667   7.281   0.597
  547    H    ASN  70           H        ASN  70  -4.207   4.742   3.114
  548    HA   ASN  70           HA       ASN  70  -6.565   3.395   2.103
  549   1HB   ASN  70          HB2       ASN  70  -5.439   1.512   3.266
  550   2HB   ASN  70          HB3       ASN  70  -5.183   2.518   4.690
  551   1HD2  ASN  70          HD22      ASN  70  -6.662   2.118   6.320
  552   2HD2  ASN  70          HD21      ASN  70  -8.302   1.555   6.054
  553    H    SER  71           H        SER  71  -8.427   4.095   3.630
  554    HA   SER  71           HA       SER  71  -8.399   6.802   4.129
  555   1HB   SER  71          HB2       SER  71 -10.148   4.773   5.561
  556   2HB   SER  71          HB3       SER  71 -10.562   6.435   5.101
  557    HG   SER  71           HG       SER  71 -11.433   4.893   3.646
  558    H    THR  72           H        THR  72  -6.977   4.401   6.205
  559    HA   THR  72           HA       THR  72  -7.145   5.771   8.715
  560    HB   THR  72           HB       THR  72  -5.160   4.096   9.125
  561    HG1  THR  72           HG1      THR  72  -4.529   3.463   7.158
  562   1HG2  THR  72          HG21      THR  72  -6.731   2.191   9.245
  563   2HG2  THR  72          HG22      THR  72  -7.450   3.672   9.897
  564   3HG2  THR  72          HG23      THR  72  -7.923   3.098   8.284
  565    H    GLN  73           H        GLN  73  -5.391   6.610   5.858
  566    HA   GLN  73           HA       GLN  73  -3.733   8.473   7.407
  567   1HB   GLN  73          HB2       GLN  73  -1.701   7.939   6.191
  568   2HB   GLN  73          HB3       GLN  73  -2.261   6.548   7.104
  569   1HG   GLN  73          HG2       GLN  73  -3.136   5.518   5.015
  570   2HG   GLN  73          HG3       GLN  73  -2.627   6.940   4.099
  571   1HE2  GLN  73          HE22      GLN  73  -0.924   6.091   2.776
  572   2HE2  GLN  73          HE21      GLN  73   0.451   5.263   3.448
  Start of MODEL   10
    1   1H    THR   2          H1        THR   2   2.915  -2.673   1.246
    2   2H    THR   2          H2        THR   2   2.592  -1.101   0.887
    3   3H    THR   2          H3        THR   2   1.750  -2.318   0.148
    4    HA   THR   2           HA       THR   2   3.349  -1.429  -1.375
    5    HB   THR   2           HB       THR   2   5.340  -2.110   0.824
    6    HG1  THR   2           HG1      THR   2   5.447   0.096   1.016
    7   1HG2  THR   2          HG21      THR   2   5.793  -0.734  -1.865
    8   2HG2  THR   2          HG22      THR   2   6.990  -0.927  -0.569
    9   3HG2  THR   2          HG23      THR   2   6.385  -2.355  -1.415
   10    H    VAL   3           H        VAL   3   4.010  -2.846  -3.028
   11    HA   VAL   3           HA       VAL   3   4.191  -5.723  -2.357
   12    HB   VAL   3           HB       VAL   3   2.463  -4.786  -4.649
   13   1HG1  VAL   3          HG11      VAL   3   1.456  -7.038  -4.416
   14   2HG1  VAL   3          HG12      VAL   3   3.189  -7.128  -4.702
   15   3HG1  VAL   3          HG13      VAL   3   2.554  -7.377  -3.058
   16   1HG2  VAL   3          HG21      VAL   3   0.419  -5.220  -3.313
   17   2HG2  VAL   3          HG22      VAL   3   1.420  -5.341  -1.848
   18   3HG2  VAL   3          HG23      VAL   3   1.299  -3.808  -2.752
   19    H    SER   4           H        SER   4   5.356  -6.896  -3.912
   20    HA   SER   4           HA       SER   4   7.066  -5.358  -5.794
   21   1HB   SER   4          HB2       SER   4   7.969  -7.342  -3.657
   22   2HB   SER   4          HB3       SER   4   9.011  -6.402  -4.730
   23    HG   SER   4           HG       SER   4   8.789  -5.545  -2.568
   24    H    ILE   5           H        ILE   5   8.296  -6.778  -7.220
   25    HA   ILE   5           HA       ILE   5   6.708  -9.027  -8.204
   26    HB   ILE   5           HB       ILE   5   9.499  -8.159  -9.055
   27   1HG1  ILE   5          HG12      ILE   5   8.186  -6.152  -9.282
   28   2HG1  ILE   5          HG13      ILE   5   8.427  -6.858 -10.863
   29   1HG2  ILE   5          HG21      ILE   5   8.839  -9.154 -11.235
   30   2HG2  ILE   5          HG22      ILE   5   8.817 -10.340  -9.943
   31   3HG2  ILE   5          HG23      ILE   5   7.289  -9.669 -10.534
   32   1HD1  ILE   5          HD11      ILE   5   6.189  -5.983 -10.663
   33   2HD1  ILE   5          HD12      ILE   5   6.138  -7.732 -10.897
   34   3HD1  ILE   5          HD13      ILE   5   5.853  -7.037  -9.278
   35    H    GLN   6           H        GLN   6   7.386 -11.251  -8.075
   36    HA   GLN   6           HA       GLN   6   9.107 -11.775  -5.703
   37   1HB   GLN   6          HB2       GLN   6   7.133 -13.732  -6.887
   38   2HB   GLN   6          HB3       GLN   6   7.813 -13.666  -5.272
   39   1HG   GLN   6          HG2       GLN   6   5.697 -12.917  -4.826
   40   2HG   GLN   6          HG3       GLN   6   6.500 -11.373  -5.081
   41   1HE2  GLN   6          HE22      GLN   6   5.227  -9.984  -6.399
   42   2HE2  GLN   6          HE21      GLN   6   4.172 -10.579  -7.674
   43    H    MET   7           H        MET   7   9.827 -11.599  -8.816
   44    HA   MET   7           HA       MET   7  11.647 -13.856  -8.933
   45   1HB   MET   7          HB2       MET   7  10.628 -14.802 -11.000
   46   2HB   MET   7          HB3       MET   7   9.579 -14.971  -9.593
   47   1HG   MET   7          HG2       MET   7   8.395 -12.836 -10.382
   48   2HG   MET   7          HG3       MET   7   9.256 -13.043 -11.902
   49   1HE   MET   7          HE1       MET   7   6.145 -13.420 -10.121
   50   2HE   MET   7          HE2       MET   7   6.118 -12.816 -11.795
   51   3HE   MET   7          HE3       MET   7   5.205 -14.272 -11.359
   52    H    ALA   8           H        ALA   8  12.994 -13.674 -10.926
   53    HA   ALA   8           HA       ALA   8  13.436 -10.878 -11.703
   54   1HB   ALA   8          HB1       ALA   8  15.340 -12.381 -11.201
   55   2HB   ALA   8          HB2       ALA   8  14.835 -13.451 -12.534
   56   3HB   ALA   8          HB3       ALA   8  15.382 -11.798 -12.883
   57    H    GLY   9           H        GLY   9  12.993  -9.951 -13.698
   58   1HA   GLY   9          HA2       GLY   9  12.613 -11.340 -16.101
   59   2HA   GLY   9          HA3       GLY   9  11.018 -11.202 -15.366
   60    H    ASN  10           H        ASN  10  10.276  -9.816 -17.017
   61    HA   ASN  10           HA       ASN  10  11.059  -6.949 -16.711
   62   1HB   ASN  10          HB2       ASN  10  10.987  -8.573 -19.284
   63   2HB   ASN  10          HB3       ASN  10  10.411  -6.913 -19.284
   64   1HD2  ASN  10          HD22      ASN  10  13.247  -7.960 -17.284
   65   2HD2  ASN  10          HD21      ASN  10  14.403  -7.107 -18.286
   66    H    LEU  11           H        LEU  11   9.315  -5.659 -16.702
   67    HA   LEU  11           HA       LEU  11   6.777  -6.916 -16.131
   68   1HB   LEU  11          HB2       LEU  11   7.886  -4.125 -16.289
   69   2HB   LEU  11          HB3       LEU  11   6.147  -4.327 -16.375
   70    HG   LEU  11           HG       LEU  11   7.820  -5.596 -14.173
   71   1HD1  LEU  11          HD11      LEU  11   6.339  -2.941 -14.154
   72   2HD1  LEU  11          HD12      LEU  11   7.121  -3.715 -12.752
   73   3HD1  LEU  11          HD13      LEU  11   8.100  -3.177 -14.129
   74   1HD2  LEU  11          HD21      LEU  11   5.575  -5.553 -12.963
   75   2HD2  LEU  11          HD22      LEU  11   4.835  -5.125 -14.520
   76   3HD2  LEU  11          HD23      LEU  11   5.659  -6.678 -14.316
   77    H    TRP  12           H        TRP  12   5.361  -7.639 -17.564
   78    HA   TRP  12           HA       TRP  12   5.639  -7.153 -20.417
   79   1HB   TRP  12          HB2       TRP  12   4.802  -9.283 -19.257
   80   2HB   TRP  12          HB3       TRP  12   3.321  -8.414 -18.899
   81    HD1  TRP  12           HD1      TRP  12   5.440  -9.368 -21.946
   82    HE1  TRP  12           HE1      TRP  12   3.939  -9.976 -23.922
   83    HE3  TRP  12           HE3      TRP  12   0.908  -8.362 -19.816
   84    HZ2  TRP  12           HZ2      TRP  12   1.090 -10.060 -24.490
   85    HZ3  TRP  12           HZ3      TRP  12  -1.190  -8.765 -21.073
   86    HH2  TRP  12           HH2      TRP  12  -1.112  -9.606 -23.412
   87    H    LYS  13           H        LYS  13   3.189  -6.369 -17.883
   88    HA   LYS  13           HA       LYS  13   2.634  -3.751 -19.080
   89   1HB   LYS  13          HB2       LYS  13   0.546  -5.963 -18.771
   90   2HB   LYS  13          HB3       LYS  13   0.130  -4.253 -18.903
   91   1HG   LYS  13          HG2       LYS  13   1.305  -4.187 -21.132
   92   2HG   LYS  13          HG3       LYS  13   1.517  -5.945 -21.014
   93   1HD   LYS  13          HD2       LYS  13  -0.979  -6.184 -20.806
   94   2HD   LYS  13          HD3       LYS  13  -1.126  -4.433 -21.081
   95   1HE   LYS  13          HE2       LYS  13   0.081  -4.708 -23.259
   96   2HE   LYS  13          HE3       LYS  13   0.158  -6.454 -22.982
   97   1HZ   LYS  13          HZ1       LYS  13  -2.337  -4.881 -23.295
   98   2HZ   LYS  13          HZ2       LYS  13  -1.689  -5.866 -24.416
   99   3HZ   LYS  13          HZ3       LYS  13  -2.275  -6.495 -23.033
  100    H    VAL  14           H        VAL  14   1.307  -2.473 -17.528
  101    HA   VAL  14           HA       VAL  14   1.034  -3.516 -14.789
  102    HB   VAL  14           HB       VAL  14   2.314  -0.833 -15.515
  103   1HG1  VAL  14          HG11      VAL  14   2.584  -0.556 -13.046
  104   2HG1  VAL  14          HG12      VAL  14   0.892  -0.581 -13.532
  105   3HG1  VAL  14          HG13      VAL  14   1.620  -2.025 -12.786
  106   1HG2  VAL  14          HG21      VAL  14   3.509  -3.241 -14.077
  107   2HG2  VAL  14          HG22      VAL  14   3.969  -2.654 -15.693
  108   3HG2  VAL  14          HG23      VAL  14   4.291  -1.659 -14.274
  109    H    HIS  15           H        HIS  15  -0.949  -2.789 -13.950
  110    HA   HIS  15           HA       HIS  15  -2.673  -1.391 -15.948
  111   1HB   HIS  15          HB2       HIS  15  -3.613  -3.226 -13.748
  112   2HB   HIS  15          HB3       HIS  15  -4.426  -2.798 -15.250
  113    HD1  HIS  15           HD1      HIS  15  -2.304  -3.696 -17.417
  114    HD2  HIS  15           HD2      HIS  15  -3.069  -5.713 -13.808
  115    HE1  HIS  15           HE1      HIS  15  -1.367  -6.060 -17.687
  116    H    VAL  16           H        VAL  16  -1.507  -1.232 -12.647
  117    HA   VAL  16           HA       VAL  16  -3.615   0.521 -11.672
  118    HB   VAL  16           HB       VAL  16  -2.048   0.771  -9.731
  119   1HG1  VAL  16          HG11      VAL  16  -2.743  -2.080 -10.532
  120   2HG1  VAL  16          HG12      VAL  16  -2.400  -1.491  -8.885
  121   3HG1  VAL  16          HG13      VAL  16  -3.824  -0.908  -9.757
  122   1HG2  VAL  16          HG21      VAL  16  -0.083  -0.570  -9.498
  123   2HG2  VAL  16          HG22      VAL  16  -0.334  -1.369 -11.060
  124   3HG2  VAL  16          HG23      VAL  16   0.097   0.355 -10.984
  125    H    LYS  17           H        LYS  17  -3.115   2.630 -10.744
  126    HA   LYS  17           HA       LYS  17  -0.860   4.128 -11.740
  127   1HB   LYS  17          HB2       LYS  17  -2.212   6.025 -12.546
  128   2HB   LYS  17          HB3       LYS  17  -2.441   4.595 -13.550
  129   1HG   LYS  17          HG2       LYS  17  -4.612   4.140 -12.446
  130   2HG   LYS  17          HG3       LYS  17  -4.384   5.554 -11.395
  131   1HD   LYS  17          HD2       LYS  17  -4.351   7.029 -13.386
  132   2HD   LYS  17          HD3       LYS  17  -4.586   5.613 -14.436
  133   1HE   LYS  17          HE2       LYS  17  -6.734   5.121 -13.282
  134   2HE   LYS  17          HE3       LYS  17  -6.500   6.529 -12.238
  135   1HZ   LYS  17          HZ1       LYS  17  -6.828   6.630 -15.182
  136   2HZ   LYS  17          HZ2       LYS  17  -7.963   7.032 -14.088
  137   3HZ   LYS  17          HZ3       LYS  17  -6.612   7.931 -14.216
  138    H    ALA  18           H        ALA  18  -0.617   6.063 -10.299
  139    HA   ALA  18           HA       ALA  18  -1.422   5.546  -7.602
  140   1HB   ALA  18          HB1       ALA  18   0.589   6.841  -8.205
  141   2HB   ALA  18          HB2       ALA  18  -0.437   8.136  -8.872
  142   3HB   ALA  18          HB3       ALA  18  -0.489   7.765  -7.134
  143    H    GLY  19           H        GLY  19  -3.258   6.090  -6.512
  144   1HA   GLY  19          HA2       GLY  19  -5.184   7.331  -6.029
  145   2HA   GLY  19          HA3       GLY  19  -5.207   8.001  -7.665
  146    H    ASP  20           H        ASP  20  -4.611   4.848  -8.371
  147    HA   ASP  20           HA       ASP  20  -7.385   4.118  -8.856
  148   1HB   ASP  20          HB2       ASP  20  -5.395   3.428 -10.280
  149   2HB   ASP  20          HB3       ASP  20  -4.894   2.374  -8.956
  150    H    GLN  21           H        GLN  21  -8.113   1.866  -8.015
  151    HA   GLN  21           HA       GLN  21  -7.311   1.412  -5.181
  152   1HB   GLN  21          HB2       GLN  21  -9.403   2.640  -5.154
  153   2HB   GLN  21          HB3       GLN  21 -10.129   1.562  -6.333
  154   1HG   GLN  21          HG2       GLN  21  -9.091   0.307  -3.790
  155   2HG   GLN  21          HG3       GLN  21 -10.494   1.351  -3.644
  156   1HE2  GLN  21          HE22      GLN  21  -9.741  -1.854  -3.903
  157   2HE2  GLN  21          HE21      GLN  21 -11.194  -2.401  -4.713
  158    H    ILE  22           H        ILE  22  -7.110  -0.715  -4.650
  159    HA   ILE  22           HA       ILE  22  -7.713  -2.764  -6.719
  160    HB   ILE  22           HB       ILE  22  -5.609  -3.836  -6.327
  161   1HG1  ILE  22          HG12      ILE  22  -5.054  -1.661  -4.265
  162   2HG1  ILE  22          HG13      ILE  22  -5.219  -3.398  -3.988
  163   1HG2  ILE  22          HG21      ILE  22  -5.725  -2.005  -8.038
  164   2HG2  ILE  22          HG22      ILE  22  -5.013  -0.898  -6.847
  165   3HG2  ILE  22          HG23      ILE  22  -4.097  -2.299  -7.416
  166   1HD1  ILE  22          HD11      ILE  22  -3.149  -3.695  -5.473
  167   2HD1  ILE  22          HD12      ILE  22  -2.964  -1.933  -5.363
  168   3HD1  ILE  22          HD13      ILE  22  -2.913  -2.932  -3.893
  169    H    GLU  23           H        GLU  23  -7.755  -4.950  -5.766
  170    HA   GLU  23           HA       GLU  23  -8.620  -5.052  -2.942
  171   1HB   GLU  23          HB2       GLU  23 -10.599  -4.824  -4.356
  172   2HB   GLU  23          HB3       GLU  23 -10.067  -6.191  -5.365
  173   1HG   GLU  23          HG2       GLU  23 -10.284  -7.706  -3.418
  174   2HG   GLU  23          HG3       GLU  23 -10.709  -6.342  -2.381
  175    H    LYS  24           H        LYS  24  -7.921  -6.988  -1.941
  176    HA   LYS  24           HA       LYS  24  -5.627  -8.221  -2.820
  177   1HB   LYS  24          HB2       LYS  24  -6.582  -8.331  -0.527
  178   2HB   LYS  24          HB3       LYS  24  -7.795  -9.489  -1.083
  179   1HG   LYS  24          HG2       LYS  24  -6.078 -11.133  -1.625
  180   2HG   LYS  24          HG3       LYS  24  -4.793  -9.953  -1.337
  181   1HD   LYS  24          HD2       LYS  24  -5.466  -9.830   1.066
  182   2HD   LYS  24          HD3       LYS  24  -6.718 -11.057   0.758
  183   1HE   LYS  24          HE2       LYS  24  -4.953 -12.649   0.011
  184   2HE   LYS  24          HE3       LYS  24  -3.718 -11.418   0.313
  185   1HZ   LYS  24          HZ1       LYS  24  -4.314 -11.482   2.659
  186   2HZ   LYS  24          HZ2       LYS  24  -5.464 -12.615   2.386
  187   3HZ   LYS  24          HZ3       LYS  24  -3.893 -12.970   2.151
  188    H    GLY  25           H        GLY  25  -5.063  -9.685  -4.337
  189   1HA   GLY  25          HA2       GLY  25  -5.212 -11.611  -5.603
  190   2HA   GLY  25          HA3       GLY  25  -6.925 -11.779  -5.205
  191    H    GLN  26           H        GLN  26  -6.883  -8.624  -6.175
  192    HA   GLN  26           HA       GLN  26  -7.737  -9.115  -8.902
  193   1HB   GLN  26          HB2       GLN  26  -8.425  -7.151  -7.396
  194   2HB   GLN  26          HB3       GLN  26  -6.777  -6.537  -7.588
  195   1HG   GLN  26          HG2       GLN  26  -7.377  -6.732 -10.194
  196   2HG   GLN  26          HG3       GLN  26  -9.026  -6.697  -9.595
  197   1HE2  GLN  26          HE22      GLN  26  -6.098  -4.878 -10.163
  198   2HE2  GLN  26          HE21      GLN  26  -6.714  -3.311  -9.651
  199    H    GLU  27           H        GLU  27  -6.438  -8.832 -10.796
  200    HA   GLU  27           HA       GLU  27  -3.557  -8.991 -10.493
  201   1HB   GLU  27          HB2       GLU  27  -3.422  -9.144 -12.793
  202   2HB   GLU  27          HB3       GLU  27  -4.867 -10.046 -12.379
  203   1HG   GLU  27          HG2       GLU  27  -4.722  -7.223 -13.515
  204   2HG   GLU  27          HG3       GLU  27  -5.104  -8.688 -14.415
  205    H    VAL  28           H        VAL  28  -2.074  -7.456 -11.155
  206    HA   VAL  28           HA       VAL  28  -2.892  -4.593 -11.060
  207    HB   VAL  28           HB       VAL  28  -1.160  -6.248  -9.185
  208   1HG1  VAL  28          HG11      VAL  28  -0.353  -4.173  -8.140
  209   2HG1  VAL  28          HG12      VAL  28   0.299  -4.432  -9.763
  210   3HG1  VAL  28          HG13      VAL  28  -0.992  -3.249  -9.522
  211   1HG2  VAL  28          HG21      VAL  28  -2.425  -4.987  -7.452
  212   2HG2  VAL  28          HG22      VAL  28  -3.341  -4.165  -8.733
  213   3HG2  VAL  28          HG23      VAL  28  -3.494  -5.915  -8.503
  214    H    ALA  29           H        ALA  29  -0.426  -7.096 -11.903
  215    HA   ALA  29           HA       ALA  29   0.282  -5.522 -14.237
  216   1HB   ALA  29          HB1       ALA  29   2.409  -6.197 -12.134
  217   2HB   ALA  29          HB2       ALA  29   2.727  -5.563 -13.749
  218   3HB   ALA  29          HB3       ALA  29   1.864  -4.564 -12.575
  219    H    ILE  30           H        ILE  30   2.170  -6.904 -15.370
  220    HA   ILE  30           HA       ILE  30   1.821  -9.797 -14.877
  221    HB   ILE  30           HB       ILE  30   1.372  -8.387 -17.543
  222   1HG1  ILE  30          HG12      ILE  30  -0.419 -10.338 -16.018
  223   2HG1  ILE  30          HG13      ILE  30  -0.614  -8.594 -16.007
  224   1HG2  ILE  30          HG21      ILE  30   2.819 -10.422 -17.866
  225   2HG2  ILE  30          HG22      ILE  30   1.595 -11.396 -17.028
  226   3HG2  ILE  30          HG23      ILE  30   1.242 -10.625 -18.590
  227   1HD1  ILE  30          HD11      ILE  30  -2.211  -9.525 -17.517
  228   2HD1  ILE  30          HD12      ILE  30  -1.027  -8.592 -18.443
  229   3HD1  ILE  30          HD13      ILE  30  -0.964 -10.375 -18.434
  230    H    LEU  31           H        LEU  31   3.699 -10.870 -15.216
  231    HA   LEU  31           HA       LEU  31   6.173  -9.299 -15.797
  232   1HB   LEU  31          HB2       LEU  31   5.949  -9.923 -13.498
  233   2HB   LEU  31          HB3       LEU  31   5.473 -11.582 -13.887
  234    HG   LEU  31           HG       LEU  31   7.698 -11.231 -12.873
  235   1HD1  LEU  31          HD11      LEU  31   8.882 -12.881 -14.128
  236   2HD1  LEU  31          HD12      LEU  31   7.162 -13.292 -14.103
  237   3HD1  LEU  31          HD13      LEU  31   7.885 -12.610 -15.563
  238   1HD2  LEU  31          HD21      LEU  31   8.680 -10.274 -15.562
  239   2HD2  LEU  31          HD22      LEU  31   8.204  -9.154 -14.273
  240   3HD2  LEU  31          HD23      LEU  31   9.521 -10.306 -13.992
  241    H    GLU  32           H        GLU  32   7.352 -10.040 -17.522
  242    HA   GLU  32           HA       GLU  32   6.663 -12.653 -18.771
  243   1HB   GLU  32          HB2       GLU  32   6.515 -10.669 -20.243
  244   2HB   GLU  32          HB3       GLU  32   8.178 -10.228 -19.838
  245   1HG   GLU  32          HG2       GLU  32   8.937 -12.435 -20.804
  246   2HG   GLU  32          HG3       GLU  32   7.270 -12.763 -21.272
  247    H    SER  33           H        SER  33   8.110 -14.273 -18.403
  248    HA   SER  33           HA       SER  33  10.923 -13.933 -18.354
  249   1HB   SER  33          HB2       SER  33  10.259 -13.098 -15.984
  250   2HB   SER  33          HB3       SER  33   9.795 -14.769 -15.644
  251    HG   SER  33           HG       SER  33  11.988 -14.004 -15.117
  252    H    MET  34           H        MET  34  11.909 -16.177 -17.745
  253    HA   MET  34           HA       MET  34  12.046 -18.340 -18.444
  254   1HB   MET  34          HB2       MET  34  10.787 -19.854 -16.957
  255   2HB   MET  34          HB3       MET  34  11.588 -18.523 -16.138
  256   1HG   MET  34          HG2       MET  34   9.444 -17.319 -15.941
  257   2HG   MET  34          HG3       MET  34   8.611 -18.656 -16.742
  258   1HE   MET  34          HE1       MET  34   6.940 -18.382 -14.545
  259   2HE   MET  34          HE2       MET  34   7.536 -18.510 -12.878
  260   3HE   MET  34          HE3       MET  34   8.035 -17.141 -13.892
  261    H    LYS  35           H        LYS  35  10.801 -16.997 -20.454
  262    HA   LYS  35           HA       LYS  35   9.532 -17.135 -22.298
  263   1HB   LYS  35          HB2       LYS  35   9.840 -20.136 -21.907
  264   2HB   LYS  35          HB3       LYS  35   9.379 -19.320 -23.403
  265   1HG   LYS  35          HG2       LYS  35  11.560 -18.119 -23.428
  266   2HG   LYS  35          HG3       LYS  35  12.052 -19.008 -21.972
  267   1HD   LYS  35          HD2       LYS  35  11.796 -21.154 -23.186
  268   2HD   LYS  35          HD3       LYS  35  11.313 -20.266 -24.650
  269   1HE   LYS  35          HE2       LYS  35  13.503 -19.088 -24.650
  270   2HE   LYS  35          HE3       LYS  35  13.984 -19.972 -23.197
  271   1HZ   LYS  35          HZ1       LYS  35  13.840 -22.028 -24.481
  272   2HZ   LYS  35          HZ2       LYS  35  13.396 -21.209 -25.825
  273   3HZ   LYS  35          HZ3       LYS  35  14.879 -20.992 -25.189
  274    H    MET  36           H        MET  36   8.018 -16.779 -19.883
  275    HA   MET  36           HA       MET  36   5.347 -17.625 -20.813
  276   1HB   MET  36          HB2       MET  36   6.520 -18.042 -18.019
  277   2HB   MET  36          HB3       MET  36   4.794 -18.120 -18.381
  278   1HG   MET  36          HG2       MET  36   5.189 -19.992 -19.940
  279   2HG   MET  36          HG3       MET  36   6.910 -19.953 -19.548
  280   1HE   MET  36          HE1       MET  36   6.960 -22.485 -18.967
  281   2HE   MET  36          HE2       MET  36   5.814 -23.279 -17.865
  282   3HE   MET  36          HE3       MET  36   5.239 -22.598 -19.404
  283    H    GLU  37           H        GLU  37   3.693 -16.401 -19.426
  284    HA   GLU  37           HA       GLU  37   4.688 -13.809 -18.422
  285   1HB   GLU  37          HB2       GLU  37   2.113 -14.174 -20.011
  286   2HB   GLU  37          HB3       GLU  37   2.661 -12.717 -19.197
  287   1HG   GLU  37          HG2       GLU  37   3.205 -12.274 -21.393
  288   2HG   GLU  37          HG3       GLU  37   4.740 -12.788 -20.710
  289    H    ILE  38           H        ILE  38   3.799 -13.331 -16.427
  290    HA   ILE  38           HA       ILE  38   1.896 -15.279 -15.226
  291    HB   ILE  38           HB       ILE  38   4.500 -14.250 -13.984
  292   1HG1  ILE  38          HG12      ILE  38   4.913 -16.918 -14.054
  293   2HG1  ILE  38          HG13      ILE  38   3.918 -16.806 -15.493
  294   1HG2  ILE  38          HG21      ILE  38   2.777 -14.685 -12.311
  295   2HG2  ILE  38          HG22      ILE  38   2.437 -16.284 -13.019
  296   3HG2  ILE  38          HG23      ILE  38   3.989 -15.953 -12.229
  297   1HD1  ILE  38          HD11      ILE  38   6.290 -16.684 -16.070
  298   2HD1  ILE  38          HD12      ILE  38   5.601 -15.091 -16.391
  299   3HD1  ILE  38          HD13      ILE  38   6.552 -15.365 -14.922
  300    HA   PRO  39           HA       PRO  39   0.297 -11.206 -14.075
  301   1HB   PRO  39          HB2       PRO  39  -1.760 -11.935 -12.393
  302   2HB   PRO  39          HB3       PRO  39  -1.854 -11.984 -14.182
  303   1HG   PRO  39          HG2       PRO  39  -1.295 -14.247 -12.266
  304   2HG   PRO  39          HG3       PRO  39  -2.356 -14.236 -13.711
  305   1HD   PRO  39          HD2       PRO  39   0.206 -15.258 -13.726
  306   2HD   PRO  39          HD3       PRO  39  -0.520 -14.482 -15.167
  307    H    ILE  40           H        ILE  40   0.354  -9.856 -12.326
  308    HA   ILE  40           HA       ILE  40   1.525 -10.808  -9.758
  309    HB   ILE  40           HB       ILE  40   1.908  -8.149 -11.187
  310   1HG1  ILE  40          HG12      ILE  40   3.195  -9.876 -12.368
  311   2HG1  ILE  40          HG13      ILE  40   4.187  -8.654 -11.618
  312   1HG2  ILE  40          HG21      ILE  40   3.628  -7.750  -9.376
  313   2HG2  ILE  40          HG22      ILE  40   1.952  -7.774  -8.825
  314   3HG2  ILE  40          HG23      ILE  40   2.992  -9.179  -8.541
  315   1HD1  ILE  40          HD11      ILE  40   5.163 -10.883 -11.353
  316   2HD1  ILE  40          HD12      ILE  40   4.778 -10.198  -9.776
  317   3HD1  ILE  40          HD13      ILE  40   3.724 -11.450 -10.486
  318    H    VAL  41           H        VAL  41   0.219 -10.266  -8.063
  319    HA   VAL  41           HA       VAL  41  -2.307  -8.829  -8.682
  320    HB   VAL  41           HB       VAL  41  -3.277 -10.433  -6.956
  321   1HG1  VAL  41          HG11      VAL  41  -3.778 -10.775  -9.284
  322   2HG1  VAL  41          HG12      VAL  41  -2.230 -11.614  -9.561
  323   3HG1  VAL  41          HG13      VAL  41  -3.489 -12.332  -8.528
  324   1HG2  VAL  41          HG21      VAL  41  -0.780 -12.101  -7.493
  325   2HG2  VAL  41          HG22      VAL  41  -1.094 -11.216  -5.977
  326   3HG2  VAL  41          HG23      VAL  41  -2.171 -12.523  -6.484
  327    H    ALA  42           H        ALA  42  -3.404  -7.883  -6.915
  328    HA   ALA  42           HA       ALA  42  -1.854  -6.326  -5.073
  329   1HB   ALA  42          HB1       ALA  42  -4.087  -5.790  -4.137
  330   2HB   ALA  42          HB2       ALA  42  -4.139  -5.721  -5.915
  331   3HB   ALA  42          HB3       ALA  42  -4.796  -7.123  -5.068
  332    H    ASP  43           H        ASP  43  -0.748  -7.246  -3.382
  333    HA   ASP  43           HA       ASP  43  -1.382  -9.778  -2.180
  334   1HB   ASP  43          HB2       ASP  43   0.864  -8.819  -2.122
  335   2HB   ASP  43          HB3       ASP  43   0.282  -7.431  -1.195
  336    H    ARG  44           H        ARG  44  -2.573  -6.516  -1.654
  337    HA   ARG  44           HA       ARG  44  -4.618  -7.460   0.149
  338   1HB   ARG  44          HB2       ARG  44  -4.146  -5.849   1.946
  339   2HB   ARG  44          HB3       ARG  44  -2.884  -7.068   1.786
  340   1HG   ARG  44          HG2       ARG  44  -1.600  -5.277   0.377
  341   2HG   ARG  44          HG3       ARG  44  -2.746  -4.119   1.056
  342   1HD   ARG  44          HD2       ARG  44  -0.945  -5.990   2.682
  343   2HD   ARG  44          HD3       ARG  44  -0.545  -4.333   2.260
  344    HE   ARG  44           HE       ARG  44  -2.050  -3.471   3.751
  345   1HH1  ARG  44          HH21      ARG  44  -2.218  -7.023   3.887
  346   2HH1  ARG  44          HH22      ARG  44  -3.126  -7.054   5.353
  347   1HH2  ARG  44          HH11      ARG  44  -3.196  -3.510   5.702
  348   2HH2  ARG  44          HH12      ARG  44  -3.691  -5.009   6.409
  349    H    SER  45           H        SER  45  -6.353  -5.868   0.289
  350    HA   SER  45           HA       SER  45  -6.688  -4.253  -2.031
  351   1HB   SER  45          HB2       SER  45  -8.216  -4.100   0.600
  352   2HB   SER  45          HB3       SER  45  -8.820  -3.734  -1.022
  353    HG   SER  45           HG       SER  45  -9.403  -5.847  -0.125
  354    H    GLY  46           H        GLY  46  -6.971  -1.868  -2.091
  355   1HA   GLY  46          HA2       GLY  46  -6.760  -0.087  -0.029
  356   2HA   GLY  46          HA3       GLY  46  -5.066  -0.418  -0.411
  357    H    ILE  47           H        ILE  47  -5.472   2.060  -0.766
  358    HA   ILE  47           HA       ILE  47  -6.218   2.631  -3.588
  359    HB   ILE  47           HB       ILE  47  -5.280   4.466  -1.337
  360   1HG1  ILE  47          HG12      ILE  47  -7.527   3.711  -0.824
  361   2HG1  ILE  47          HG13      ILE  47  -7.558   5.393  -1.322
  362   1HG2  ILE  47          HG21      ILE  47  -6.174   5.138  -4.165
  363   2HG2  ILE  47          HG22      ILE  47  -5.983   6.324  -2.855
  364   3HG2  ILE  47          HG23      ILE  47  -4.585   5.421  -3.432
  365   1HD1  ILE  47          HD11      ILE  47  -8.380   2.997  -3.016
  366   2HD1  ILE  47          HD12      ILE  47  -9.448   4.209  -2.294
  367   3HD1  ILE  47          HD13      ILE  47  -8.348   4.678  -3.604
  368    H    VAL  48           H        VAL  48  -4.602   2.950  -5.056
  369    HA   VAL  48           HA       VAL  48  -1.880   2.100  -4.465
  370    HB   VAL  48           HB       VAL  48  -3.096   3.415  -6.925
  371   1HG1  VAL  48          HG11      VAL  48  -1.170   2.434  -8.109
  372   2HG1  VAL  48          HG12      VAL  48  -0.608   3.550  -6.858
  373   3HG1  VAL  48          HG13      VAL  48  -0.517   1.806  -6.579
  374   1HG2  VAL  48          HG21      VAL  48  -2.687   0.460  -6.285
  375   2HG2  VAL  48          HG22      VAL  48  -4.245   1.294  -6.469
  376   3HG2  VAL  48          HG23      VAL  48  -3.184   1.124  -7.857
  377    H    LYS  49           H        LYS  49  -0.745   3.448  -3.137
  378    HA   LYS  49           HA       LYS  49  -1.230   6.329  -3.080
  379   1HB   LYS  49          HB2       LYS  49  -0.627   5.065  -1.029
  380   2HB   LYS  49          HB3       LYS  49   0.910   4.594  -1.755
  381   1HG   LYS  49          HG2       LYS  49   1.236   6.384  -0.165
  382   2HG   LYS  49          HG3       LYS  49   1.649   6.945  -1.786
  383   1HD   LYS  49          HD2       LYS  49  -0.508   8.149  -1.941
  384   2HD   LYS  49          HD3       LYS  49  -0.993   7.503  -0.354
  385   1HE   LYS  49          HE2       LYS  49   0.949   8.651   0.692
  386   2HE   LYS  49          HE3       LYS  49   1.434   9.281  -0.887
  387   1HZ   LYS  49          HZ1       LYS  49  -0.654  10.516  -0.963
  388   2HZ   LYS  49          HZ2       LYS  49  -1.105   9.932   0.497
  389   3HZ   LYS  49          HZ3       LYS  49   0.187  10.914   0.372
  390    H    GLU  50           H        GLU  50   1.245   4.035  -4.399
  391    HA   GLU  50           HA       GLU  50   1.933   6.028  -6.408
  392   1HB   GLU  50          HB2       GLU  50   3.335   6.577  -4.306
  393   2HB   GLU  50          HB3       GLU  50   4.182   5.055  -4.589
  394   1HG   GLU  50          HG2       GLU  50   4.988   5.851  -6.747
  395   2HG   GLU  50          HG3       GLU  50   3.936   7.269  -6.671
  396    H    VAL  51           H        VAL  51   3.491   5.039  -8.030
  397    HA   VAL  51           HA       VAL  51   3.558   2.072  -7.985
  398    HB   VAL  51           HB       VAL  51   3.031   3.742 -10.482
  399   1HG1  VAL  51          HG11      VAL  51   2.409   1.545 -11.462
  400   2HG1  VAL  51          HG12      VAL  51   4.080   1.531 -10.891
  401   3HG1  VAL  51          HG13      VAL  51   2.809   0.738  -9.933
  402   1HG2  VAL  51          HG21      VAL  51   1.022   3.954  -9.092
  403   2HG2  VAL  51          HG22      VAL  51   0.706   2.834 -10.421
  404   3HG2  VAL  51          HG23      VAL  51   1.031   2.194  -8.794
  405    H    LYS  52           H        LYS  52   5.563   1.307  -8.487
  406    HA   LYS  52           HA       LYS  52   7.711   3.366  -8.528
  407   1HB   LYS  52          HB2       LYS  52   7.774   0.412  -7.795
  408   2HB   LYS  52          HB3       LYS  52   9.070   1.574  -7.526
  409   1HG   LYS  52          HG2       LYS  52   6.359   1.523  -6.131
  410   2HG   LYS  52          HG3       LYS  52   7.917   1.039  -5.471
  411   1HD   LYS  52          HD2       LYS  52   8.747   3.369  -5.664
  412   2HD   LYS  52          HD3       LYS  52   7.134   3.879  -6.234
  413   1HE   LYS  52          HE2       LYS  52   6.097   3.136  -4.186
  414   2HE   LYS  52          HE3       LYS  52   7.601   2.404  -3.609
  415   1HZ   LYS  52          HZ1       LYS  52   7.212   5.312  -4.049
  416   2HZ   LYS  52          HZ2       LYS  52   7.112   4.549  -2.596
  417   3HZ   LYS  52          HZ3       LYS  52   8.547   4.594  -3.403
  418    H    LYS  53           H        LYS  53   6.231   1.448 -10.838
  419    HA   LYS  53           HA       LYS  53   8.699   1.066 -12.440
  420   1HB   LYS  53          HB2       LYS  53   6.655  -1.070 -11.684
  421   2HB   LYS  53          HB3       LYS  53   7.839  -1.257 -12.960
  422   1HG   LYS  53          HG2       LYS  53   8.636  -0.804 -10.067
  423   2HG   LYS  53          HG3       LYS  53   8.427  -2.395 -10.811
  424   1HD   LYS  53          HD2       LYS  53  10.093  -1.836 -12.539
  425   2HD   LYS  53          HD3       LYS  53  10.363  -0.251 -11.783
  426   1HE   LYS  53          HE2       LYS  53  11.246  -1.289  -9.769
  427   2HE   LYS  53          HE3       LYS  53  10.809  -2.895 -10.331
  428   1HZ   LYS  53          HZ1       LYS  53  12.353  -2.520 -12.240
  429   2HZ   LYS  53          HZ2       LYS  53  12.852  -1.125 -11.538
  430   3HZ   LYS  53          HZ3       LYS  53  13.069  -2.583 -10.770
  431    H    LYS  54           H        LYS  54   7.817  -0.093 -14.635
  432    HA   LYS  54           HA       LYS  54   5.350   1.105 -15.600
  433   1HB   LYS  54          HB2       LYS  54   6.443   2.335 -17.423
  434   2HB   LYS  54          HB3       LYS  54   6.898   2.997 -15.856
  435   1HG   LYS  54          HG2       LYS  54   9.086   1.813 -15.978
  436   2HG   LYS  54          HG3       LYS  54   8.627   1.120 -17.543
  437   1HD   LYS  54          HD2       LYS  54   8.444   3.400 -18.503
  438   2HD   LYS  54          HD3       LYS  54   8.920   4.092 -16.934
  439   1HE   LYS  54          HE2       LYS  54  11.074   2.852 -17.048
  440   2HE   LYS  54          HE3       LYS  54  10.598   2.162 -18.605
  441   1HZ   LYS  54          HZ1       LYS  54  12.040   4.075 -18.887
  442   2HZ   LYS  54          HZ2       LYS  54  10.578   4.411 -19.519
  443   3HZ   LYS  54          HZ3       LYS  54  11.016   5.049 -18.080
  444    H    GLU  55           H        GLU  55   4.960   0.367 -17.839
  445    HA   GLU  55           HA       GLU  55   5.449  -2.387 -18.243
  446   1HB   GLU  55          HB2       GLU  55   4.837  -0.355 -20.438
  447   2HB   GLU  55          HB3       GLU  55   4.506  -2.082 -20.425
  448   1HG   GLU  55          HG2       GLU  55   2.416  -1.374 -19.919
  449   2HG   GLU  55          HG3       GLU  55   3.035  -1.439 -18.275
  450    H    GLY  56           H        GLY  56   7.056  -3.510 -19.314
  451   1HA   GLY  56          HA2       GLY  56   8.800  -3.926 -20.701
  452   2HA   GLY  56          HA3       GLY  56   8.927  -2.211 -21.111
  453    H    ASP  57           H        ASP  57   8.966  -2.100 -17.768
  454    HA   ASP  57           HA       ASP  57  11.837  -1.704 -17.812
  455   1HB   ASP  57          HB2       ASP  57  10.255  -0.307 -16.464
  456   2HB   ASP  57          HB3       ASP  57  10.006  -1.691 -15.391
  457    H    PHE  58           H        PHE  58  13.345  -2.713 -16.402
  458    HA   PHE  58           HA       PHE  58  13.166  -5.633 -16.233
  459   1HB   PHE  58          HB2       PHE  58  15.298  -4.574 -16.759
  460   2HB   PHE  58          HB3       PHE  58  15.186  -3.549 -15.338
  461    HD1  PHE  58           HD1      PHE  58  15.819  -4.337 -13.130
  462    HD2  PHE  58           HD2      PHE  58  15.843  -7.018 -16.513
  463    HE1  PHE  58           HE1      PHE  58  17.156  -5.973 -11.831
  464    HE2  PHE  58           HE2      PHE  58  17.173  -8.650 -15.207
  465    HZ   PHE  58           HZ       PHE  58  17.863  -8.118 -12.877
  466    H    VAL  59           H        VAL  59  12.991  -6.835 -14.301
  467    HA   VAL  59           HA       VAL  59  12.653  -5.412 -11.765
  468    HB   VAL  59           HB       VAL  59  10.603  -6.799 -11.288
  469   1HG1  VAL  59          HG11      VAL  59   9.049  -5.147 -12.159
  470   2HG1  VAL  59          HG12      VAL  59  10.544  -4.366 -11.657
  471   3HG1  VAL  59          HG13      VAL  59  10.212  -4.626 -13.387
  472   1HG2  VAL  59          HG21      VAL  59  10.333  -6.962 -14.322
  473   2HG2  VAL  59          HG22      VAL  59  10.686  -8.330 -13.238
  474   3HG2  VAL  59          HG23      VAL  59   9.141  -7.467 -13.114
  475    H    ASN  60           H        ASN  60  12.589  -6.925  -9.929
  476    HA   ASN  60           HA       ASN  60  13.873  -9.495 -10.467
  477   1HB   ASN  60          HB2       ASN  60  15.478  -7.294  -9.970
  478   2HB   ASN  60          HB3       ASN  60  15.248  -7.958  -8.351
  479   1HD2  ASN  60          HD22      ASN  60  15.868  -9.020 -11.749
  480   2HD2  ASN  60          HD21      ASN  60  17.026 -10.267 -11.330
  481    H    GLU  61           H        GLU  61  14.227 -10.716  -8.378
  482    HA   GLU  61           HA       GLU  61  11.752 -10.942  -6.964
  483   1HB   GLU  61          HB2       GLU  61  13.240 -12.824  -7.318
  484   2HB   GLU  61          HB3       GLU  61  14.560 -12.018  -6.481
  485   1HG   GLU  61          HG2       GLU  61  13.183 -12.072  -4.364
  486   2HG   GLU  61          HG3       GLU  61  11.918 -12.928  -5.242
  487    H    GLY  62           H        GLY  62  10.993  -9.466  -5.584
  488   1HA   GLY  62          HA2       GLY  62  10.926  -8.332  -3.566
  489   2HA   GLY  62          HA3       GLY  62  12.690  -8.358  -3.444
  490    H    ASP  63           H        ASP  63  11.816  -7.348  -6.638
  491    HA   ASP  63           HA       ASP  63  12.612  -4.608  -6.027
  492   1HB   ASP  63          HB2       ASP  63  13.317  -5.990  -8.059
  493   2HB   ASP  63          HB3       ASP  63  11.675  -5.783  -8.671
  494    H    VAL  64           H        VAL  64  11.151  -3.004  -5.618
  495    HA   VAL  64           HA       VAL  64   8.479  -3.743  -5.056
  496    HB   VAL  64           HB       VAL  64   9.549  -0.904  -5.227
  497   1HG1  VAL  64          HG11      VAL  64   7.107  -1.062  -4.847
  498   2HG1  VAL  64          HG12      VAL  64   7.372  -2.232  -3.544
  499   3HG1  VAL  64          HG13      VAL  64   7.909  -0.545  -3.364
  500   1HG2  VAL  64          HG21      VAL  64  10.115  -1.164  -2.799
  501   2HG2  VAL  64          HG22      VAL  64   9.806  -2.907  -2.936
  502   3HG2  VAL  64          HG23      VAL  64  11.142  -2.149  -3.832
  503    H    LEU  65           H        LEU  65   6.521  -3.169  -5.990
  504    HA   LEU  65           HA       LEU  65   6.606  -2.197  -8.816
  505   1HB   LEU  65          HB2       LEU  65   5.899  -4.512  -8.707
  506   2HB   LEU  65          HB3       LEU  65   4.755  -4.159  -7.414
  507    HG   LEU  65           HG       LEU  65   3.407  -2.753  -8.957
  508   1HD1  LEU  65          HD11      LEU  65   3.823  -2.913 -11.417
  509   2HD1  LEU  65          HD12      LEU  65   5.015  -1.959 -10.545
  510   3HD1  LEU  65          HD13      LEU  65   5.419  -3.615 -11.066
  511   1HD2  LEU  65          HD21      LEU  65   3.941  -5.527 -10.070
  512   2HD2  LEU  65          HD22      LEU  65   2.922  -5.167  -8.656
  513   3HD2  LEU  65          HD23      LEU  65   2.471  -4.564 -10.255
  514    H    LEU  66           H        LEU  66   4.725  -2.131  -5.671
  515    HA   LEU  66           HA       LEU  66   4.008   0.628  -6.308
  516   1HB   LEU  66          HB2       LEU  66   1.662   0.429  -6.304
  517   2HB   LEU  66          HB3       LEU  66   2.275  -0.582  -7.588
  518    HG   LEU  66           HG       LEU  66   1.379  -1.676  -4.871
  519   1HD1  LEU  66          HD11      LEU  66  -0.735  -2.245  -5.968
  520   2HD1  LEU  66          HD12      LEU  66  -0.483  -0.492  -5.937
  521   3HD1  LEU  66          HD13      LEU  66  -0.226  -1.402  -7.439
  522   1HD2  LEU  66          HD21      LEU  66   2.770  -3.246  -6.232
  523   2HD2  LEU  66          HD22      LEU  66   1.087  -3.785  -6.130
  524   3HD2  LEU  66          HD23      LEU  66   1.670  -3.002  -7.606
  525    H    GLU  67           H        GLU  67   2.732   1.671  -4.658
  526    HA   GLU  67           HA       GLU  67   3.290   0.662  -1.909
  527   1HB   GLU  67          HB2       GLU  67   4.914   2.381  -2.720
  528   2HB   GLU  67          HB3       GLU  67   3.565   3.490  -3.014
  529   1HG   GLU  67          HG2       GLU  67   3.012   3.341  -0.557
  530   2HG   GLU  67          HG3       GLU  67   4.466   2.354  -0.343
  531    H    LEU  68           H        LEU  68   1.541   1.166  -0.454
  532    HA   LEU  68           HA       LEU  68  -0.992   2.028  -1.798
  533   1HB   LEU  68          HB2       LEU  68  -0.652  -0.222   0.229
  534   2HB   LEU  68          HB3       LEU  68  -2.151   0.275  -0.542
  535    HG   LEU  68           HG       LEU  68   0.206  -1.055  -1.938
  536   1HD1  LEU  68          HD11      LEU  68  -2.588  -2.094  -1.294
  537   2HD1  LEU  68          HD12      LEU  68  -1.286  -2.981  -2.113
  538   3HD1  LEU  68          HD13      LEU  68  -1.108  -2.525  -0.414
  539   1HD2  LEU  68          HD21      LEU  68  -2.494  -0.176  -3.041
  540   2HD2  LEU  68          HD22      LEU  68  -0.882   0.433  -3.504
  541   3HD2  LEU  68          HD23      LEU  68  -1.316  -1.230  -3.861
  542    H    SER  69           H        SER  69  -2.663   2.816  -0.361
  543    HA   SER  69           HA       SER  69  -1.822   4.407   1.870
  544   1HB   SER  69          HB2       SER  69  -4.308   4.452   2.297
  545   2HB   SER  69          HB3       SER  69  -3.838   4.908   0.647
  546    HG   SER  69           HG       SER  69  -5.634   3.286   1.071
  547    H    ASN  70           H        ASN  70  -3.299   1.210   1.549
  548    HA   ASN  70           HA       ASN  70  -3.322   0.561   4.351
  549   1HB   ASN  70          HB2       ASN  70  -4.963  -0.219   2.590
  550   2HB   ASN  70          HB3       ASN  70  -3.685  -1.246   1.930
  551   1HD2  ASN  70          HD22      ASN  70  -5.219  -3.006   2.329
  552   2HD2  ASN  70          HD21      ASN  70  -5.356  -3.696   3.942
  553    H    SER  71           H        SER  71  -0.580   1.190   3.304
  554    HA   SER  71           HA       SER  71   0.875  -1.366   3.501
  555   1HB   SER  71          HB2       SER  71   1.925   1.487   3.387
  556   2HB   SER  71          HB3       SER  71   2.874  -0.006   3.237
  557    HG   SER  71           HG       SER  71   1.048   1.192   1.498
  558    H    THR  72           H        THR  72  -0.692  -1.330   5.634
  559    HA   THR  72           HA       THR  72   0.185   0.098   7.944
  560    HB   THR  72           HB       THR  72  -1.230  -1.805   9.034
  561    HG1  THR  72           HG1      THR  72  -1.175  -3.325   7.404
  562   1HG2  THR  72          HG21      THR  72  -2.491  -0.053   6.869
  563   2HG2  THR  72          HG22      THR  72  -3.335  -0.813   8.235
  564   3HG2  THR  72          HG23      THR  72  -2.129   0.447   8.536
  565    H    GLN  73           H        GLN  73   1.182  -0.837   9.864
  566    HA   GLN  73           HA       GLN  73   2.909  -3.191   9.538
  567   1HB   GLN  73          HB2       GLN  73   3.931  -0.399  10.267
  568   2HB   GLN  73          HB3       GLN  73   4.831  -1.897  10.492
  569   1HG   GLN  73          HG2       GLN  73   4.779  -2.307   8.037
  570   2HG   GLN  73          HG3       GLN  73   3.932  -0.772   7.807
  571   1HE2  GLN  73          HE22      GLN  73   5.081   1.240   8.182
  572   2HE2  GLN  73          HE21      GLN  73   6.825   1.280   8.263
  Start of MODEL   11
    1   1H    THR   2          H1        THR   2   3.440  -0.825   1.062
    2   2H    THR   2          H2        THR   2   2.288  -1.865   0.523
    3   3H    THR   2          H3        THR   2   3.519  -2.431   1.456
    4    HA   THR   2           HA       THR   2   3.931  -1.157  -1.144
    5    HB   THR   2           HB       THR   2   5.790  -3.055   0.316
    6    HG1  THR   2           HG1      THR   2   5.795  -0.217   0.521
    7   1HG2  THR   2          HG21      THR   2   6.387  -2.699  -2.013
    8   2HG2  THR   2          HG22      THR   2   6.276  -0.933  -1.814
    9   3HG2  THR   2          HG23      THR   2   7.547  -1.858  -0.982
   10    H    VAL   3           H        VAL   3   3.995  -2.518  -3.051
   11    HA   VAL   3           HA       VAL   3   3.452  -5.397  -2.631
   12    HB   VAL   3           HB       VAL   3   2.118  -3.784  -4.834
   13   1HG1  VAL   3          HG11      VAL   3   2.505  -6.179  -5.343
   14   2HG1  VAL   3          HG12      VAL   3   1.677  -6.630  -3.834
   15   3HG1  VAL   3          HG13      VAL   3   0.788  -5.837  -5.159
   16   1HG2  VAL   3          HG21      VAL   3   1.006  -3.125  -2.738
   17   2HG2  VAL   3          HG22      VAL   3  -0.049  -4.166  -3.698
   18   3HG2  VAL   3          HG23      VAL   3   0.809  -4.830  -2.282
   19    H    SER   4           H        SER   4   4.708  -6.639  -4.023
   20    HA   SER   4           HA       SER   4   6.692  -5.246  -5.751
   21   1HB   SER   4          HB2       SER   4   7.251  -7.261  -3.538
   22   2HB   SER   4          HB3       SER   4   8.458  -6.469  -4.556
   23    HG   SER   4           HG       SER   4   8.205  -5.488  -2.469
   24    H    ILE   5           H        ILE   5   8.014  -6.801  -6.948
   25    HA   ILE   5           HA       ILE   5   6.455  -9.058  -8.038
   26    HB   ILE   5           HB       ILE   5   9.215  -7.995  -8.790
   27   1HG1  ILE   5          HG12      ILE   5   7.720  -6.139  -9.149
   28   2HG1  ILE   5          HG13      ILE   5   8.113  -6.848 -10.694
   29   1HG2  ILE   5          HG21      ILE   5   8.735  -9.084 -10.995
   30   2HG2  ILE   5          HG22      ILE   5   8.859 -10.224  -9.671
   31   3HG2  ILE   5          HG23      ILE   5   7.260  -9.789 -10.302
   32   1HD1  ILE   5          HD11      ILE   5   5.926  -7.988 -10.786
   33   2HD1  ILE   5          HD12      ILE   5   5.496  -7.264  -9.214
   34   3HD1  ILE   5          HD13      ILE   5   5.770  -6.239 -10.630
   35    H    GLN   6           H        GLN   6   7.474 -11.228  -8.033
   36    HA   GLN   6           HA       GLN   6   9.367 -11.724  -5.797
   37   1HB   GLN   6          HB2       GLN   6   7.910 -13.642  -5.091
   38   2HB   GLN   6          HB3       GLN   6   7.351 -12.041  -4.692
   39   1HG   GLN   6          HG2       GLN   6   6.302 -13.411  -7.192
   40   2HG   GLN   6          HG3       GLN   6   5.678 -13.846  -5.608
   41   1HE2  GLN   6          HE22      GLN   6   5.025 -11.783  -8.186
   42   2HE2  GLN   6          HE21      GLN   6   4.228 -10.498  -7.296
   43    H    MET   7           H        MET   7   9.710 -11.666  -8.730
   44    HA   MET   7           HA       MET   7  11.197 -14.114  -8.981
   45   1HB   MET   7          HB2       MET   7  10.198 -14.760 -11.151
   46   2HB   MET   7          HB3       MET   7   9.085 -15.004  -9.815
   47   1HG   MET   7          HG2       MET   7   8.996 -12.556 -11.611
   48   2HG   MET   7          HG3       MET   7   8.158 -14.051 -11.979
   49   1HE   MET   7          HE1       MET   7   5.694 -13.470 -12.077
   50   2HE   MET   7          HE2       MET   7   5.976 -14.863 -11.004
   51   3HE   MET   7          HE3       MET   7   4.808 -13.604 -10.546
   52    H    ALA   8           H        ALA   8  12.684 -13.905 -10.844
   53    HA   ALA   8           HA       ALA   8  13.313 -11.101 -11.506
   54   1HB   ALA   8          HB1       ALA   8  15.117 -12.663 -10.884
   55   2HB   ALA   8          HB2       ALA   8  14.682 -13.709 -12.261
   56   3HB   ALA   8          HB3       ALA   8  15.302 -12.069 -12.553
   57    H    GLY   9           H        GLY   9  12.984 -10.130 -13.497
   58   1HA   GLY   9          HA2       GLY   9  12.719 -11.457 -15.954
   59   2HA   GLY   9          HA3       GLY   9  11.089 -11.310 -15.299
   60    H    ASN  10           H        ASN  10  10.423  -9.864 -16.924
   61    HA   ASN  10           HA       ASN  10  11.311  -7.040 -16.567
   62   1HB   ASN  10          HB2       ASN  10  11.219  -8.621 -19.155
   63   2HB   ASN  10          HB3       ASN  10  10.683  -6.947 -19.149
   64   1HD2  ASN  10          HD22      ASN  10  13.422  -7.997 -17.043
   65   2HD2  ASN  10          HD21      ASN  10  14.629  -7.178 -18.013
   66    H    LEU  11           H        LEU  11   9.517  -5.699 -16.511
   67    HA   LEU  11           HA       LEU  11   7.081  -7.143 -15.948
   68   1HB   LEU  11          HB2       LEU  11   8.151  -5.125 -14.713
   69   2HB   LEU  11          HB3       LEU  11   7.456  -4.135 -15.996
   70    HG   LEU  11           HG       LEU  11   5.185  -5.075 -15.397
   71   1HD1  LEU  11          HD11      LEU  11   5.781  -7.195 -14.262
   72   2HD1  LEU  11          HD12      LEU  11   6.717  -6.307 -13.046
   73   3HD1  LEU  11          HD13      LEU  11   4.954  -6.142 -13.127
   74   1HD2  LEU  11          HD21      LEU  11   5.009  -3.726 -13.344
   75   2HD2  LEU  11          HD22      LEU  11   6.765  -3.791 -13.129
   76   3HD2  LEU  11          HD23      LEU  11   6.056  -2.921 -14.518
   77    H    TRP  12           H        TRP  12   5.438  -7.520 -17.341
   78    HA   TRP  12           HA       TRP  12   5.850  -6.818 -20.120
   79   1HB   TRP  12          HB2       TRP  12   5.028  -9.045 -19.057
   80   2HB   TRP  12          HB3       TRP  12   3.470  -8.258 -18.900
   81    HD1  TRP  12           HD1      TRP  12   6.042  -8.905 -21.651
   82    HE1  TRP  12           HE1      TRP  12   4.883  -9.604 -23.829
   83    HE3  TRP  12           HE3      TRP  12   1.202  -8.546 -20.091
   84    HZ2  TRP  12           HZ2      TRP  12   2.156  -9.982 -24.758
   85    HZ3  TRP  12           HZ3      TRP  12  -0.665  -9.099 -21.623
   86    HH2  TRP  12           HH2      TRP  12  -0.201  -9.815 -23.959
   87    H    LYS  13           H        LYS  13   3.243  -6.221 -17.705
   88    HA   LYS  13           HA       LYS  13   2.381  -3.751 -19.052
   89   1HB   LYS  13          HB2       LYS  13   0.632  -6.216 -18.602
   90   2HB   LYS  13          HB3       LYS  13  -0.026  -4.613 -18.938
   91   1HG   LYS  13          HG2       LYS  13   1.796  -6.103 -20.857
   92   2HG   LYS  13          HG3       LYS  13   0.049  -6.222 -20.881
   93   1HD   LYS  13          HD2       LYS  13  -0.290  -4.051 -21.578
   94   2HD   LYS  13          HD3       LYS  13   1.279  -3.462 -21.022
   95   1HE   LYS  13          HE2       LYS  13   1.113  -5.573 -23.197
   96   2HE   LYS  13          HE3       LYS  13   0.867  -3.867 -23.593
   97   1HZ   LYS  13          HZ1       LYS  13   3.204  -4.612 -23.809
   98   2HZ   LYS  13          HZ2       LYS  13   2.995  -3.324 -22.812
   99   3HZ   LYS  13          HZ3       LYS  13   3.286  -4.801 -22.168
  100    H    VAL  14           H        VAL  14   0.893  -2.556 -17.599
  101    HA   VAL  14           HA       VAL  14   0.738  -3.482 -14.800
  102    HB   VAL  14           HB       VAL  14   1.807  -0.756 -15.682
  103   1HG1  VAL  14          HG11      VAL  14   2.143  -0.361 -13.235
  104   2HG1  VAL  14          HG12      VAL  14   0.443  -0.474 -13.669
  105   3HG1  VAL  14          HG13      VAL  14   1.251  -1.858 -12.886
  106   1HG2  VAL  14          HG21      VAL  14   3.573  -2.426 -15.832
  107   2HG2  VAL  14          HG22      VAL  14   3.838  -1.498 -14.357
  108   3HG2  VAL  14          HG23      VAL  14   3.094  -3.116 -14.264
  109    H    HIS  15           H        HIS  15  -1.146  -2.714 -13.799
  110    HA   HIS  15           HA       HIS  15  -3.163  -1.496 -15.638
  111   1HB   HIS  15          HB2       HIS  15  -3.806  -3.623 -13.604
  112   2HB   HIS  15          HB3       HIS  15  -4.698  -3.171 -15.050
  113    HD1  HIS  15           HD1      HIS  15  -2.401  -3.689 -17.257
  114    HD2  HIS  15           HD2      HIS  15  -3.231  -6.068 -13.892
  115    HE1  HIS  15           HE1      HIS  15  -1.353  -5.985 -17.700
  116    H    VAL  16           H        VAL  16  -1.564  -0.177 -13.421
  117    HA   VAL  16           HA       VAL  16  -3.843   0.778 -11.768
  118    HB   VAL  16           HB       VAL  16  -2.256   0.999  -9.868
  119   1HG1  VAL  16          HG11      VAL  16  -2.406  -1.292  -9.077
  120   2HG1  VAL  16          HG12      VAL  16  -3.894  -0.833  -9.916
  121   3HG1  VAL  16          HG13      VAL  16  -2.710  -1.880 -10.730
  122   1HG2  VAL  16          HG21      VAL  16  -0.445  -1.017 -11.225
  123   2HG2  VAL  16          HG22      VAL  16  -0.131   0.733 -11.275
  124   3HG2  VAL  16          HG23      VAL  16  -0.191  -0.093  -9.727
  125    H    LYS  17           H        LYS  17  -3.397   2.855 -10.742
  126    HA   LYS  17           HA       LYS  17  -1.254   4.502 -11.765
  127   1HB   LYS  17          HB2       LYS  17  -2.737   6.365 -12.398
  128   2HB   LYS  17          HB3       LYS  17  -2.949   4.985 -13.472
  129   1HG   LYS  17          HG2       LYS  17  -5.028   4.344 -12.324
  130   2HG   LYS  17          HG3       LYS  17  -4.834   5.650 -11.152
  131   1HD   LYS  17          HD2       LYS  17  -5.178   6.056 -14.151
  132   2HD   LYS  17          HD3       LYS  17  -6.482   6.127 -12.954
  133   1HE   LYS  17          HE2       LYS  17  -5.289   7.977 -11.773
  134   2HE   LYS  17          HE3       LYS  17  -4.037   7.953 -13.019
  135   1HZ   LYS  17          HZ1       LYS  17  -6.895   8.571 -13.495
  136   2HZ   LYS  17          HZ2       LYS  17  -5.681   9.655 -13.462
  137   3HZ   LYS  17          HZ3       LYS  17  -5.736   8.542 -14.648
  138    H    ALA  18           H        ALA  18  -1.084   6.435 -10.299
  139    HA   ALA  18           HA       ALA  18  -1.695   5.892  -7.576
  140   1HB   ALA  18          HB1       ALA  18   0.081   7.466  -8.257
  141   2HB   ALA  18          HB2       ALA  18  -1.145   8.570  -8.932
  142   3HB   ALA  18          HB3       ALA  18  -1.094   8.252  -7.185
  143    H    GLY  19           H        GLY  19  -3.454   6.339  -6.337
  144   1HA   GLY  19          HA2       GLY  19  -5.466   7.297  -5.699
  145   2HA   GLY  19          HA3       GLY  19  -5.673   8.015  -7.301
  146    H    ASP  20           H        ASP  20  -4.898   4.882  -8.096
  147    HA   ASP  20           HA       ASP  20  -7.655   4.097  -8.537
  148   1HB   ASP  20          HB2       ASP  20  -5.699   3.520 -10.030
  149   2HB   ASP  20          HB3       ASP  20  -5.132   2.416  -8.768
  150    H    GLN  21           H        GLN  21  -8.401   1.879  -7.782
  151    HA   GLN  21           HA       GLN  21  -7.699   1.361  -4.914
  152   1HB   GLN  21          HB2       GLN  21 -10.012   2.174  -5.171
  153   2HB   GLN  21          HB3       GLN  21 -10.295   1.025  -6.473
  154   1HG   GLN  21          HG2       GLN  21 -11.403   0.130  -4.618
  155   2HG   GLN  21          HG3       GLN  21  -9.982  -0.868  -4.803
  156   1HE2  GLN  21          HE22      GLN  21  -8.797  -1.234  -2.863
  157   2HE2  GLN  21          HE21      GLN  21  -8.992  -0.242  -1.437
  158    H    ILE  22           H        ILE  22  -6.972  -0.692  -4.493
  159    HA   ILE  22           HA       ILE  22  -7.549  -2.813  -6.473
  160    HB   ILE  22           HB       ILE  22  -5.393  -3.769  -6.342
  161   1HG1  ILE  22          HG12      ILE  22  -4.620  -1.628  -4.316
  162   2HG1  ILE  22          HG13      ILE  22  -4.821  -3.357  -4.008
  163   1HG2  ILE  22          HG21      ILE  22  -4.957  -0.787  -6.786
  164   2HG2  ILE  22          HG22      ILE  22  -4.044  -2.119  -7.504
  165   3HG2  ILE  22          HG23      ILE  22  -5.725  -1.873  -7.955
  166   1HD1  ILE  22          HD11      ILE  22  -2.659  -2.015  -5.654
  167   2HD1  ILE  22          HD12      ILE  22  -2.490  -3.018  -4.195
  168   3HD1  ILE  22          HD13      ILE  22  -2.958  -3.761  -5.717
  169    H    GLU  23           H        GLU  23  -7.388  -4.998  -5.460
  170    HA   GLU  23           HA       GLU  23  -8.114  -5.038  -2.603
  171   1HB   GLU  23          HB2       GLU  23 -10.183  -4.815  -3.868
  172   2HB   GLU  23          HB3       GLU  23  -9.731  -6.181  -4.910
  173   1HG   GLU  23          HG2       GLU  23  -9.816  -7.696  -2.951
  174   2HG   GLU  23          HG3       GLU  23 -10.180  -6.330  -1.895
  175    H    LYS  24           H        LYS  24  -7.425  -7.049  -1.651
  176    HA   LYS  24           HA       LYS  24  -5.156  -8.251  -2.693
  177   1HB   LYS  24          HB2       LYS  24  -5.946  -8.409  -0.346
  178   2HB   LYS  24          HB3       LYS  24  -7.213  -9.536  -0.844
  179   1HG   LYS  24          HG2       LYS  24  -5.540 -11.193  -1.535
  180   2HG   LYS  24          HG3       LYS  24  -4.239 -10.030  -1.302
  181   1HD   LYS  24          HD2       LYS  24  -4.259 -11.586   0.562
  182   2HD   LYS  24          HD3       LYS  24  -4.663  -9.969   1.117
  183   1HE   LYS  24          HE2       LYS  24  -6.094 -11.506   2.260
  184   2HE   LYS  24          HE3       LYS  24  -7.092 -10.588   1.135
  185   1HZ   LYS  24          HZ1       LYS  24  -6.085 -13.344   0.678
  186   2HZ   LYS  24          HZ2       LYS  24  -7.605 -12.954   1.106
  187   3HZ   LYS  24          HZ3       LYS  24  -7.046 -12.516  -0.359
  188    H    GLY  25           H        GLY  25  -4.722  -9.632  -4.346
  189   1HA   GLY  25          HA2       GLY  25  -5.006 -11.531  -5.653
  190   2HA   GLY  25          HA3       GLY  25  -6.701 -11.649  -5.181
  191    H    GLN  26           H        GLN  26  -6.535  -8.436  -6.010
  192    HA   GLN  26           HA       GLN  26  -7.631  -8.747  -8.646
  193   1HB   GLN  26          HB2       GLN  26  -8.019  -6.848  -7.013
  194   2HB   GLN  26          HB3       GLN  26  -6.360  -6.295  -7.342
  195   1HG   GLN  26          HG2       GLN  26  -6.969  -5.938  -9.712
  196   2HG   GLN  26          HG3       GLN  26  -8.598  -6.551  -9.407
  197   1HE2  GLN  26          HE22      GLN  26  -6.821  -3.708  -9.678
  198   2HE2  GLN  26          HE21      GLN  26  -7.842  -2.644  -8.725
  199    H    GLU  27           H        GLU  27  -6.532  -8.741 -10.610
  200    HA   GLU  27           HA       GLU  27  -3.644  -9.038 -10.698
  201   1HB   GLU  27          HB2       GLU  27  -5.297 -10.102 -12.271
  202   2HB   GLU  27          HB3       GLU  27  -5.670  -8.500 -12.914
  203   1HG   GLU  27          HG2       GLU  27  -3.243  -8.287 -13.590
  204   2HG   GLU  27          HG3       GLU  27  -2.973  -9.925 -13.001
  205    H    VAL  28           H        VAL  28  -2.158  -7.413 -10.908
  206    HA   VAL  28           HA       VAL  28  -3.090  -4.646 -11.516
  207    HB   VAL  28           HB       VAL  28  -1.474  -3.857  -9.764
  208   1HG1  VAL  28          HG11      VAL  28  -2.996  -4.184  -7.895
  209   2HG1  VAL  28          HG12      VAL  28  -3.914  -3.869  -9.380
  210   3HG1  VAL  28          HG13      VAL  28  -3.812  -5.518  -8.729
  211   1HG2  VAL  28          HG21      VAL  28  -0.172  -5.966  -9.439
  212   2HG2  VAL  28          HG22      VAL  28  -0.861  -5.342  -7.927
  213   3HG2  VAL  28          HG23      VAL  28  -1.630  -6.713  -8.737
  214    H    ALA  29           H        ALA  29  -0.665  -7.155 -12.063
  215    HA   ALA  29           HA       ALA  29   0.231  -5.567 -14.307
  216   1HB   ALA  29          HB1       ALA  29   2.236  -6.258 -12.092
  217   2HB   ALA  29          HB2       ALA  29   2.668  -5.690 -13.713
  218   3HB   ALA  29          HB3       ALA  29   1.763  -4.639 -12.622
  219    H    ILE  30           H        ILE  30   2.085  -6.904 -15.399
  220    HA   ILE  30           HA       ILE  30   1.747  -9.829 -15.026
  221    HB   ILE  30           HB       ILE  30   1.511  -8.323 -17.664
  222   1HG1  ILE  30          HG12      ILE  30  -0.411 -10.360 -16.454
  223   2HG1  ILE  30          HG13      ILE  30  -0.594  -8.626 -16.261
  224   1HG2  ILE  30          HG21      ILE  30   1.439 -10.552 -18.782
  225   2HG2  ILE  30          HG22      ILE  30   2.981 -10.301 -18.003
  226   3HG2  ILE  30          HG23      ILE  30   1.763 -11.335 -17.225
  227   1HD1  ILE  30          HD11      ILE  30  -2.050  -9.327 -18.018
  228   2HD1  ILE  30          HD12      ILE  30  -0.762  -8.334 -18.719
  229   3HD1  ILE  30          HD13      ILE  30  -0.734 -10.108 -18.903
  230    H    LEU  31           H        LEU  31   3.672 -10.887 -15.366
  231    HA   LEU  31           HA       LEU  31   6.155  -9.279 -15.805
  232   1HB   LEU  31          HB2       LEU  31   5.946  -9.983 -13.551
  233   2HB   LEU  31          HB3       LEU  31   5.436 -11.625 -13.986
  234    HG   LEU  31           HG       LEU  31   7.658 -11.282 -12.941
  235   1HD1  LEU  31          HD11      LEU  31   7.754 -12.754 -15.595
  236   2HD1  LEU  31          HD12      LEU  31   8.811 -12.991 -14.188
  237   3HD1  LEU  31          HD13      LEU  31   7.087 -13.368 -14.073
  238   1HD2  LEU  31          HD21      LEU  31   8.758 -10.470 -15.617
  239   2HD2  LEU  31          HD22      LEU  31   8.224  -9.267 -14.429
  240   3HD2  LEU  31          HD23      LEU  31   9.499 -10.423 -14.005
  241    H    GLU  32           H        GLU  32   7.583 -10.117 -17.344
  242    HA   GLU  32           HA       GLU  32   6.794 -12.618 -18.751
  243   1HB   GLU  32          HB2       GLU  32   6.453 -10.632 -20.096
  244   2HB   GLU  32          HB3       GLU  32   8.103 -10.082 -19.822
  245   1HG   GLU  32          HG2       GLU  32   7.441 -12.745 -21.147
  246   2HG   GLU  32          HG3       GLU  32   7.505 -11.243 -22.054
  247    H    SER  33           H        SER  33   8.244 -14.211 -18.510
  248    HA   SER  33           HA       SER  33  11.063 -13.851 -18.386
  249   1HB   SER  33          HB2       SER  33  10.265 -13.153 -15.996
  250   2HB   SER  33          HB3       SER  33   9.857 -14.856 -15.770
  251    HG   SER  33           HG       SER  33  12.002 -14.064 -15.116
  252    H    MET  34           H        MET  34  12.039 -16.127 -17.886
  253    HA   MET  34           HA       MET  34  12.188 -18.258 -18.680
  254   1HB   MET  34          HB2       MET  34  10.865 -19.837 -17.311
  255   2HB   MET  34          HB3       MET  34  11.655 -18.558 -16.401
  256   1HG   MET  34          HG2       MET  34   9.518 -17.336 -16.223
  257   2HG   MET  34          HG3       MET  34   8.698 -18.626 -17.108
  258   1HE   MET  34          HE1       MET  34   8.041 -17.199 -14.235
  259   2HE   MET  34          HE2       MET  34   6.961 -18.388 -14.998
  260   3HE   MET  34          HE3       MET  34   7.463 -18.598 -13.307
  261    H    LYS  35           H        LYS  35  10.998 -16.787 -20.644
  262    HA   LYS  35           HA       LYS  35   9.799 -16.819 -22.534
  263   1HB   LYS  35          HB2       LYS  35  10.099 -19.838 -22.308
  264   2HB   LYS  35          HB3       LYS  35   9.672 -18.937 -23.766
  265   1HG   LYS  35          HG2       LYS  35  11.859 -17.754 -23.693
  266   2HG   LYS  35          HG3       LYS  35  12.297 -18.656 -22.240
  267   1HD   LYS  35          HD2       LYS  35  13.374 -19.695 -24.129
  268   2HD   LYS  35          HD3       LYS  35  12.162 -20.782 -23.466
  269   1HE   LYS  35          HE2       LYS  35  12.065 -20.919 -25.859
  270   2HE   LYS  35          HE3       LYS  35  10.586 -20.144 -25.296
  271   1HZ   LYS  35          HZ1       LYS  35  11.530 -19.020 -27.218
  272   2HZ   LYS  35          HZ2       LYS  35  11.554 -18.002 -25.949
  273   3HZ   LYS  35          HZ3       LYS  35  12.932 -18.734 -26.445
  274    H    MET  36           H        MET  36   8.199 -16.600 -20.156
  275    HA   MET  36           HA       MET  36   5.565 -17.410 -21.220
  276   1HB   MET  36          HB2       MET  36   6.675 -17.987 -18.430
  277   2HB   MET  36          HB3       MET  36   4.955 -18.004 -18.815
  278   1HG   MET  36          HG2       MET  36   5.306 -19.816 -20.444
  279   2HG   MET  36          HG3       MET  36   7.034 -19.798 -20.101
  280   1HE   MET  36          HE1       MET  36   3.460 -20.704 -18.811
  281   2HE   MET  36          HE2       MET  36   3.769 -21.325 -17.175
  282   3HE   MET  36          HE3       MET  36   3.936 -19.590 -17.505
  283    H    GLU  37           H        GLU  37   3.846 -16.257 -19.923
  284    HA   GLU  37           HA       GLU  37   4.755 -13.694 -18.743
  285   1HB   GLU  37          HB2       GLU  37   2.220 -14.129 -20.381
  286   2HB   GLU  37          HB3       GLU  37   2.640 -12.692 -19.462
  287   1HG   GLU  37          HG2       GLU  37   3.187 -12.091 -21.632
  288   2HG   GLU  37          HG3       GLU  37   4.740 -12.484 -20.906
  289    H    ILE  38           H        ILE  38   3.813 -13.312 -16.745
  290    HA   ILE  38           HA       ILE  38   2.050 -15.412 -15.602
  291    HB   ILE  38           HB       ILE  38   4.602 -14.290 -14.343
  292   1HG1  ILE  38          HG12      ILE  38   5.156 -16.933 -14.535
  293   2HG1  ILE  38          HG13      ILE  38   4.162 -16.797 -15.969
  294   1HG2  ILE  38          HG21      ILE  38   2.870 -14.941 -12.703
  295   2HG2  ILE  38          HG22      ILE  38   2.763 -16.553 -13.449
  296   3HG2  ILE  38          HG23      ILE  38   4.251 -16.029 -12.637
  297   1HD1  ILE  38          HD11      ILE  38   5.759 -14.935 -16.752
  298   2HD1  ILE  38          HD12      ILE  38   6.733 -15.287 -15.315
  299   3HD1  ILE  38          HD13      ILE  38   6.507 -16.524 -16.555
  300    HA   PRO  39           HA       PRO  39   0.140 -11.547 -14.337
  301   1HB   PRO  39          HB2       PRO  39  -1.739 -12.430 -12.548
  302   2HB   PRO  39          HB3       PRO  39  -1.873 -12.680 -14.316
  303   1HG   PRO  39          HG2       PRO  39  -0.834 -14.633 -12.243
  304   2HG   PRO  39          HG3       PRO  39  -2.034 -14.931 -13.543
  305   1HD   PRO  39          HD2       PRO  39   0.596 -15.574 -13.835
  306   2HD   PRO  39          HD3       PRO  39  -0.358 -14.944 -15.211
  307    H    ILE  40           H        ILE  40   0.148 -10.100 -12.598
  308    HA   ILE  40           HA       ILE  40   1.487 -10.899 -10.058
  309    HB   ILE  40           HB       ILE  40   1.727  -8.336 -11.659
  310   1HG1  ILE  40          HG12      ILE  40   3.121 -10.101 -12.643
  311   2HG1  ILE  40          HG13      ILE  40   4.051  -8.765 -12.003
  312   1HG2  ILE  40          HG21      ILE  40   2.947  -8.983  -8.952
  313   2HG2  ILE  40          HG22      ILE  40   3.314  -7.554  -9.948
  314   3HG2  ILE  40          HG23      ILE  40   1.697  -7.777  -9.302
  315   1HD1  ILE  40          HD11      ILE  40   4.687 -10.091 -10.024
  316   2HD1  ILE  40          HD12      ILE  40   3.667 -11.439 -10.583
  317   3HD1  ILE  40          HD13      ILE  40   5.091 -10.950 -11.512
  318    H    VAL  41           H        VAL  41   0.183 -10.537  -8.384
  319    HA   VAL  41           HA       VAL  41  -2.314  -8.996  -8.796
  320    HB   VAL  41           HB       VAL  41  -3.256 -10.612  -7.075
  321   1HG1  VAL  41          HG11      VAL  41  -3.704 -12.395  -8.718
  322   2HG1  VAL  41          HG12      VAL  41  -3.924 -10.782  -9.377
  323   3HG1  VAL  41          HG13      VAL  41  -2.462 -11.713  -9.798
  324   1HG2  VAL  41          HG21      VAL  41  -0.893 -12.371  -7.858
  325   2HG2  VAL  41          HG22      VAL  41  -1.078 -11.567  -6.279
  326   3HG2  VAL  41          HG23      VAL  41  -2.247 -12.790  -6.797
  327    H    ALA  42           H        ALA  42  -3.236  -8.020  -6.953
  328    HA   ALA  42           HA       ALA  42  -1.459  -6.522  -5.317
  329   1HB   ALA  42          HB1       ALA  42  -3.772  -5.854  -6.046
  330   2HB   ALA  42          HB2       ALA  42  -4.424  -7.113  -4.989
  331   3HB   ALA  42          HB3       ALA  42  -3.547  -5.745  -4.284
  332    H    ASP  43           H        ASP  43  -0.346  -7.284  -3.573
  333    HA   ASP  43           HA       ASP  43  -0.883  -9.788  -2.285
  334   1HB   ASP  43          HB2       ASP  43   1.355  -8.778  -2.393
  335   2HB   ASP  43          HB3       ASP  43   0.806  -7.402  -1.431
  336    H    ARG  44           H        ARG  44  -2.143  -6.577  -1.799
  337    HA   ARG  44           HA       ARG  44  -3.961  -7.447   0.286
  338   1HB   ARG  44          HB2       ARG  44  -3.390  -5.480   1.756
  339   2HB   ARG  44          HB3       ARG  44  -2.190  -6.768   1.783
  340   1HG   ARG  44          HG2       ARG  44  -0.612  -5.551   0.552
  341   2HG   ARG  44          HG3       ARG  44  -1.813  -4.468  -0.145
  342   1HD   ARG  44          HD2       ARG  44  -1.103  -4.429   2.806
  343   2HD   ARG  44          HD3       ARG  44  -0.283  -3.462   1.562
  344    HE   ARG  44           HE       ARG  44  -3.198  -3.218   1.523
  345   1HH1  ARG  44          HH11      ARG  44  -0.283  -1.756   3.003
  346   2HH1  ARG  44          HH12      ARG  44  -1.011  -0.169   3.017
  347   1HH2  ARG  44          HH21      ARG  44  -4.082  -1.205   1.692
  348   2HH2  ARG  44          HH22      ARG  44  -3.148   0.154   2.307
  349    H    SER  45           H        SER  45  -5.656  -5.757   0.573
  350    HA   SER  45           HA       SER  45  -6.245  -4.268  -1.831
  351   1HB   SER  45          HB2       SER  45  -7.502  -4.138   0.937
  352   2HB   SER  45          HB3       SER  45  -8.277  -3.709  -0.602
  353    HG   SER  45           HG       SER  45  -8.801  -5.843   0.269
  354    H    GLY  46           H        GLY  46  -6.499  -1.904  -1.934
  355   1HA   GLY  46          HA2       GLY  46  -6.222  -0.105   0.116
  356   2HA   GLY  46          HA3       GLY  46  -4.553  -0.362  -0.416
  357    H    ILE  47           H        ILE  47  -5.263   2.101  -0.676
  358    HA   ILE  47           HA       ILE  47  -6.168   2.616  -3.459
  359    HB   ILE  47           HB       ILE  47  -5.378   4.451  -1.152
  360   1HG1  ILE  47          HG12      ILE  47  -7.621   3.468  -0.872
  361   2HG1  ILE  47          HG13      ILE  47  -7.670   5.205  -1.106
  362   1HG2  ILE  47          HG21      ILE  47  -6.133   6.336  -2.638
  363   2HG2  ILE  47          HG22      ILE  47  -4.638   5.558  -3.154
  364   3HG2  ILE  47          HG23      ILE  47  -6.154   5.192  -4.000
  365   1HD1  ILE  47          HD11      ILE  47  -9.483   4.089  -2.322
  366   2HD1  ILE  47          HD12      ILE  47  -8.401   4.901  -3.458
  367   3HD1  ILE  47          HD13      ILE  47  -8.317   3.135  -3.255
  368    H    VAL  48           H        VAL  48  -4.627   3.020  -4.999
  369    HA   VAL  48           HA       VAL  48  -1.848   2.338  -4.522
  370    HB   VAL  48           HB       VAL  48  -3.160   3.588  -6.932
  371   1HG1  VAL  48          HG11      VAL  48  -0.564   1.979  -6.624
  372   2HG1  VAL  48          HG12      VAL  48  -1.247   2.600  -8.143
  373   3HG1  VAL  48          HG13      VAL  48  -0.659   3.730  -6.918
  374   1HG2  VAL  48          HG21      VAL  48  -2.682   0.648  -6.253
  375   2HG2  VAL  48          HG22      VAL  48  -4.260   1.445  -6.432
  376   3HG2  VAL  48          HG23      VAL  48  -3.213   1.272  -7.833
  377    H    LYS  49           H        LYS  49  -0.762   3.641  -3.188
  378    HA   LYS  49           HA       LYS  49  -1.154   6.532  -3.076
  379   1HB   LYS  49          HB2       LYS  49  -0.503   5.197  -1.093
  380   2HB   LYS  49          HB3       LYS  49   0.999   4.714  -1.894
  381   1HG   LYS  49          HG2       LYS  49   1.704   7.109  -1.966
  382   2HG   LYS  49          HG3       LYS  49   0.198   7.558  -1.139
  383   1HD   LYS  49          HD2       LYS  49   0.869   6.153   0.807
  384   2HD   LYS  49          HD3       LYS  49   2.367   5.709  -0.040
  385   1HE   LYS  49          HE2       LYS  49   2.980   8.138  -0.158
  386   2HE   LYS  49          HE3       LYS  49   1.527   8.534   0.765
  387   1HZ   LYS  49          HZ1       LYS  49   3.780   6.870   1.743
  388   2HZ   LYS  49          HZ2       LYS  49   3.472   8.406   2.183
  389   3HZ   LYS  49          HZ3       LYS  49   2.435   7.224   2.608
  390    H    GLU  50           H        GLU  50   1.179   4.181  -4.564
  391    HA   GLU  50           HA       GLU  50   1.870   6.208  -6.551
  392   1HB   GLU  50          HB2       GLU  50   3.336   6.622  -4.449
  393   2HB   GLU  50          HB3       GLU  50   4.134   5.097  -4.826
  394   1HG   GLU  50          HG2       GLU  50   4.965   5.974  -6.917
  395   2HG   GLU  50          HG3       GLU  50   3.882   7.364  -6.843
  396    H    VAL  51           H        VAL  51   3.378   5.182  -8.246
  397    HA   VAL  51           HA       VAL  51   3.296   2.211  -8.257
  398    HB   VAL  51           HB       VAL  51   2.768   4.005 -10.670
  399   1HG1  VAL  51          HG11      VAL  51   2.174   1.866 -11.795
  400   2HG1  VAL  51          HG12      VAL  51   3.860   1.876 -11.280
  401   3HG1  VAL  51          HG13      VAL  51   2.653   0.964 -10.342
  402   1HG2  VAL  51          HG21      VAL  51   0.784   4.040  -9.213
  403   2HG2  VAL  51          HG22      VAL  51   0.469   3.060 -10.643
  404   3HG2  VAL  51          HG23      VAL  51   0.832   2.264  -9.093
  405    H    LYS  52           H        LYS  52   5.284   1.332  -8.896
  406    HA   LYS  52           HA       LYS  52   7.487   3.350  -9.131
  407   1HB   LYS  52          HB2       LYS  52   7.503   0.640  -7.751
  408   2HB   LYS  52          HB3       LYS  52   8.800   1.825  -7.735
  409   1HG   LYS  52          HG2       LYS  52   6.072   2.074  -6.401
  410   2HG   LYS  52          HG3       LYS  52   7.617   1.830  -5.607
  411   1HD   LYS  52          HD2       LYS  52   6.881   4.340  -7.169
  412   2HD   LYS  52          HD3       LYS  52   6.732   4.143  -5.426
  413   1HE   LYS  52          HE2       LYS  52   9.111   3.858  -5.152
  414   2HE   LYS  52          HE3       LYS  52   9.380   3.807  -6.901
  415   1HZ   LYS  52          HZ1       LYS  52   8.183   6.167  -5.579
  416   2HZ   LYS  52          HZ2       LYS  52   9.815   5.998  -5.761
  417   3HZ   LYS  52          HZ3       LYS  52   8.845   6.081  -7.070
  418    H    LYS  53           H        LYS  53   5.988   1.248 -11.150
  419    HA   LYS  53           HA       LYS  53   8.483   0.658 -12.616
  420   1HB   LYS  53          HB2       LYS  53   6.359  -1.407 -11.862
  421   2HB   LYS  53          HB3       LYS  53   7.605  -1.667 -13.081
  422   1HG   LYS  53          HG2       LYS  53   8.214  -1.129 -10.151
  423   2HG   LYS  53          HG3       LYS  53   8.103  -2.732 -10.889
  424   1HD   LYS  53          HD2       LYS  53   9.907  -2.189 -12.454
  425   2HD   LYS  53          HD3       LYS  53  10.060  -0.562 -11.769
  426   1HE   LYS  53          HE2       LYS  53  10.758  -1.486  -9.607
  427   2HE   LYS  53          HE3       LYS  53  10.512  -3.125 -10.182
  428   1HZ   LYS  53          HZ1       LYS  53  12.752  -2.729 -10.460
  429   2HZ   LYS  53          HZ2       LYS  53  12.184  -2.543 -11.987
  430   3HZ   LYS  53          HZ3       LYS  53  12.555  -1.214 -11.116
  431    H    LYS  54           H        LYS  54   7.820  -0.345 -14.829
  432    HA   LYS  54           HA       LYS  54   5.410   0.831 -15.982
  433   1HB   LYS  54          HB2       LYS  54   6.679   2.169 -17.619
  434   2HB   LYS  54          HB3       LYS  54   6.937   2.750 -15.980
  435   1HG   LYS  54          HG2       LYS  54   9.147   1.635 -15.899
  436   2HG   LYS  54          HG3       LYS  54   8.895   0.989 -17.532
  437   1HD   LYS  54          HD2       LYS  54   8.714   3.315 -18.402
  438   2HD   LYS  54          HD3       LYS  54   9.051   3.947 -16.788
  439   1HE   LYS  54          HE2       LYS  54  10.921   2.147 -18.407
  440   2HE   LYS  54          HE3       LYS  54  11.019   3.907 -18.347
  441   1HZ   LYS  54          HZ1       LYS  54  11.394   3.698 -15.922
  442   2HZ   LYS  54          HZ2       LYS  54  11.485   2.056 -16.072
  443   3HZ   LYS  54          HZ3       LYS  54  12.567   3.012 -16.817
  444    H    GLU  55           H        GLU  55   5.502   0.329 -18.453
  445    HA   GLU  55           HA       GLU  55   5.865  -2.463 -18.874
  446   1HB   GLU  55          HB2       GLU  55   5.693  -0.139 -20.849
  447   2HB   GLU  55          HB3       GLU  55   5.628  -1.850 -21.291
  448   1HG   GLU  55          HG2       GLU  55   3.589  -2.144 -19.931
  449   2HG   GLU  55          HG3       GLU  55   3.633  -0.442 -19.464
  450    H    GLY  56           H        GLY  56   7.618  -3.633 -19.440
  451   1HA   GLY  56          HA2       GLY  56   9.599  -4.220 -20.383
  452   2HA   GLY  56          HA3       GLY  56   9.823  -2.571 -20.986
  453    H    ASP  57           H        ASP  57   9.202  -2.354 -17.629
  454    HA   ASP  57           HA       ASP  57  11.954  -1.629 -17.113
  455   1HB   ASP  57          HB2       ASP  57   9.756  -0.712 -16.045
  456   2HB   ASP  57          HB3       ASP  57   9.890  -2.080 -14.944
  457    H    PHE  58           H        PHE  58  13.517  -2.788 -15.931
  458    HA   PHE  58           HA       PHE  58  13.305  -5.684 -15.847
  459   1HB   PHE  58          HB2       PHE  58  15.458  -4.565 -16.202
  460   2HB   PHE  58          HB3       PHE  58  15.292  -3.707 -14.677
  461    HD1  PHE  58           HD1      PHE  58  15.757  -4.795 -12.532
  462    HD2  PHE  58           HD2      PHE  58  16.011  -6.997 -16.235
  463    HE1  PHE  58           HE1      PHE  58  16.980  -6.615 -11.373
  464    HE2  PHE  58           HE2      PHE  58  17.220  -8.819 -15.067
  465    HZ   PHE  58           HZ       PHE  58  17.729  -8.623 -12.641
  466    H    VAL  59           H        VAL  59  12.903  -7.002 -14.020
  467    HA   VAL  59           HA       VAL  59  12.362  -5.674 -11.446
  468    HB   VAL  59           HB       VAL  59  10.257  -7.112 -11.288
  469   1HG1  VAL  59          HG11      VAL  59   8.831  -5.312 -12.214
  470   2HG1  VAL  59          HG12      VAL  59  10.208  -4.692 -11.302
  471   3HG1  VAL  59          HG13      VAL  59  10.222  -4.653 -13.085
  472   1HG2  VAL  59          HG21      VAL  59  10.284  -6.881 -14.323
  473   2HG2  VAL  59          HG22      VAL  59  10.502  -8.387 -13.397
  474   3HG2  VAL  59          HG23      VAL  59   8.967  -7.489 -13.311
  475    H    ASN  60           H        ASN  60  12.140  -7.225  -9.676
  476    HA   ASN  60           HA       ASN  60  13.506  -9.756 -10.150
  477   1HB   ASN  60          HB2       ASN  60  15.073  -7.522  -9.654
  478   2HB   ASN  60          HB3       ASN  60  14.812  -8.152  -8.027
  479   1HD2  ASN  60          HD22      ASN  60  15.579  -9.237 -11.380
  480   2HD2  ASN  60          HD21      ASN  60  16.728 -10.475 -10.905
  481    H    GLU  61           H        GLU  61  13.829 -10.956  -8.097
  482    HA   GLU  61           HA       GLU  61  11.350 -11.174  -6.698
  483   1HB   GLU  61          HB2       GLU  61  12.834 -13.060  -7.154
  484   2HB   GLU  61          HB3       GLU  61  14.122 -12.335  -6.199
  485   1HG   GLU  61          HG2       GLU  61  12.597 -12.486  -4.171
  486   2HG   GLU  61          HG3       GLU  61  11.396 -13.280  -5.190
  487    H    GLY  62           H        GLY  62  10.656  -9.542  -5.440
  488   1HA   GLY  62          HA2       GLY  62  10.599  -8.539  -3.321
  489   2HA   GLY  62          HA3       GLY  62  12.365  -8.549  -3.231
  490    H    ASP  63           H        ASP  63  11.486  -7.505  -6.400
  491    HA   ASP  63           HA       ASP  63  12.314  -4.786  -5.728
  492   1HB   ASP  63          HB2       ASP  63  13.069  -6.147  -7.748
  493   2HB   ASP  63          HB3       ASP  63  11.445  -5.939  -8.406
  494    H    VAL  64           H        VAL  64  10.915  -3.047  -5.592
  495    HA   VAL  64           HA       VAL  64   8.191  -3.577  -5.005
  496    HB   VAL  64           HB       VAL  64   9.587  -0.914  -5.502
  497   1HG1  VAL  64          HG11      VAL  64   6.964  -1.591  -4.097
  498   2HG1  VAL  64          HG12      VAL  64   7.795  -0.027  -3.951
  499   3HG1  VAL  64          HG13      VAL  64   7.181  -0.554  -5.515
  500   1HG2  VAL  64          HG21      VAL  64   9.169  -2.517  -2.936
  501   2HG2  VAL  64          HG22      VAL  64  10.727  -2.159  -3.710
  502   3HG2  VAL  64          HG23      VAL  64   9.783  -0.851  -3.007
  503    H    LEU  65           H        LEU  65   6.300  -2.924  -6.040
  504    HA   LEU  65           HA       LEU  65   6.431  -2.499  -8.993
  505   1HB   LEU  65          HB2       LEU  65   5.772  -4.760  -8.397
  506   2HB   LEU  65          HB3       LEU  65   4.556  -4.195  -7.278
  507    HG   LEU  65           HG       LEU  65   3.799  -5.116  -9.464
  508   1HD1  LEU  65          HD11      LEU  65   1.910  -3.697  -9.759
  509   2HD1  LEU  65          HD12      LEU  65   2.287  -3.815  -8.038
  510   3HD1  LEU  65          HD13      LEU  65   2.714  -2.344  -8.959
  511   1HD2  LEU  65          HD21      LEU  65   4.564  -2.411 -10.628
  512   2HD2  LEU  65          HD22      LEU  65   5.451  -3.925 -10.921
  513   3HD2  LEU  65          HD23      LEU  65   3.765  -3.757 -11.451
  514    H    LEU  66           H        LEU  66   4.399  -2.100  -6.020
  515    HA   LEU  66           HA       LEU  66   4.013   0.712  -6.741
  516   1HB   LEU  66          HB2       LEU  66   1.593   0.717  -6.711
  517   2HB   LEU  66          HB3       LEU  66   2.192  -0.312  -7.975
  518    HG   LEU  66           HG       LEU  66   1.728  -2.285  -6.392
  519   1HD1  LEU  66          HD11      LEU  66   0.188  -0.115  -4.922
  520   2HD1  LEU  66          HD12      LEU  66  -0.147  -1.855  -4.758
  521   3HD1  LEU  66          HD13      LEU  66   1.401  -1.222  -4.241
  522   1HD2  LEU  66          HD21      LEU  66  -0.615  -0.623  -7.371
  523   2HD2  LEU  66          HD22      LEU  66   0.335  -1.786  -8.333
  524   3HD2  LEU  66          HD23      LEU  66  -0.646  -2.363  -6.993
  525    H    GLU  67           H        GLU  67   2.593   1.811  -4.983
  526    HA   GLU  67           HA       GLU  67   3.142   0.606  -2.348
  527   1HB   GLU  67          HB2       GLU  67   4.940   2.263  -2.907
  528   2HB   GLU  67          HB3       GLU  67   3.704   3.510  -3.097
  529   1HG   GLU  67          HG2       GLU  67   4.837   3.621  -0.897
  530   2HG   GLU  67          HG3       GLU  67   3.107   3.346  -0.730
  531    H    LEU  68           H        LEU  68   1.677   1.332  -0.705
  532    HA   LEU  68           HA       LEU  68  -0.961   2.175  -1.823
  533   1HB   LEU  68          HB2       LEU  68  -0.315  -0.090   0.110
  534   2HB   LEU  68          HB3       LEU  68  -1.945   0.452  -0.262
  535    HG   LEU  68           HG       LEU  68  -0.033  -0.792  -2.260
  536   1HD1  LEU  68          HD11      LEU  68  -0.853  -2.370  -0.586
  537   2HD1  LEU  68          HD12      LEU  68  -2.538  -1.888  -0.917
  538   3HD1  LEU  68          HD13      LEU  68  -1.575  -2.709  -2.159
  539   1HD2  LEU  68          HD21      LEU  68  -2.042  -0.855  -3.741
  540   2HD2  LEU  68          HD22      LEU  68  -2.944   0.097  -2.547
  541   3HD2  LEU  68          HD23      LEU  68  -1.512   0.758  -3.372
  542    H    SER  69           H        SER  69  -2.566   2.624  -0.159
  543    HA   SER  69           HA       SER  69  -1.890   4.609   1.716
  544   1HB   SER  69          HB2       SER  69  -4.243   3.973   2.551
  545   2HB   SER  69          HB3       SER  69  -4.075   4.512   0.872
  546    HG   SER  69           HG       SER  69  -5.298   2.419   1.556
  547    H    ASN  70           H        ASN  70  -1.674   4.531   3.951
  548    HA   ASN  70           HA       ASN  70  -1.926   2.121   5.502
  549   1HB   ASN  70          HB2       ASN  70   0.321   1.625   4.535
  550   2HB   ASN  70          HB3       ASN  70   0.939   3.153   5.151
  551   1HD2  ASN  70          HD22      ASN  70   1.214   3.391   7.548
  552   2HD2  ASN  70          HD21      ASN  70   1.227   1.954   8.537
  553    H    SER  71           H        SER  71  -0.052   5.182   5.421
  554    HA   SER  71           HA       SER  71  -1.205   5.998   8.045
  555   1HB   SER  71          HB2       SER  71   1.362   6.968   6.750
  556   2HB   SER  71          HB3       SER  71   0.854   7.136   8.440
  557    HG   SER  71           HG       SER  71   2.383   5.477   8.187
  558    H    THR  72           H        THR  72  -2.020   6.378   5.028
  559    HA   THR  72           HA       THR  72  -1.868   9.158   4.391
  560    HB   THR  72           HB       THR  72  -3.578   8.127   2.611
  561    HG1  THR  72           HG1      THR  72  -4.051   6.183   3.523
  562   1HG2  THR  72          HG21      THR  72  -1.217   8.679   2.111
  563   2HG2  THR  72          HG22      THR  72  -0.698   7.134   2.823
  564   3HG2  THR  72          HG23      THR  72  -1.703   7.153   1.354
  565    H    GLN  73           H        GLN  73  -3.867   7.442   6.583
  566    HA   GLN  73           HA       GLN  73  -5.670   9.672   6.919
  567   1HB   GLN  73          HB2       GLN  73  -7.706   8.264   6.839
  568   2HB   GLN  73          HB3       GLN  73  -6.949   8.438   5.259
  569   1HG   GLN  73          HG2       GLN  73  -5.980   6.149   5.464
  570   2HG   GLN  73          HG3       GLN  73  -6.699   5.997   7.068
  571   1HE2  GLN  73          HE22      GLN  73  -8.418   4.587   6.935
  572   2HE2  GLN  73          HE21      GLN  73  -9.622   4.588   5.671
  Start of MODEL   12
    1   1H    THR   2          H1        THR   2   4.105  -2.062   1.383
    2   2H    THR   2          H2        THR   2   3.658  -0.543   0.894
    3   3H    THR   2          H3        THR   2   2.593  -1.799   0.782
    4    HA   THR   2           HA       THR   2   3.726  -1.060  -1.322
    5    HB   THR   2           HB       THR   2   5.967  -2.396  -1.524
    6    HG1  THR   2           HG1      THR   2   7.081  -2.626   0.368
    7   1HG2  THR   2          HG21      THR   2   5.982   0.154   0.134
    8   2HG2  THR   2          HG22      THR   2   7.290  -0.483  -0.881
    9   3HG2  THR   2          HG23      THR   2   5.795   0.085  -1.636
   10    H    VAL   3           H        VAL   3   4.003  -2.644  -3.071
   11    HA   VAL   3           HA       VAL   3   3.361  -5.451  -2.441
   12    HB   VAL   3           HB       VAL   3   2.019  -3.860  -4.670
   13   1HG1  VAL   3          HG11      VAL   3   2.438  -6.189  -5.317
   14   2HG1  VAL   3          HG12      VAL   3   1.676  -6.759  -3.816
   15   3HG1  VAL   3          HG13      VAL   3   0.721  -5.919  -5.067
   16   1HG2  VAL   3          HG21      VAL   3  -0.131  -4.312  -3.518
   17   2HG2  VAL   3          HG22      VAL   3   0.765  -4.991  -2.133
   18   3HG2  VAL   3          HG23      VAL   3   0.924  -3.276  -2.559
   19    H    SER   4           H        SER   4   4.568  -6.790  -3.909
   20    HA   SER   4           HA       SER   4   6.597  -5.403  -5.592
   21   1HB   SER   4          HB2       SER   4   7.088  -7.495  -3.444
   22   2HB   SER   4          HB3       SER   4   8.321  -6.704  -4.432
   23    HG   SER   4           HG       SER   4   8.075  -5.770  -2.321
   24    H    ILE   5           H        ILE   5   7.863  -6.849  -6.879
   25    HA   ILE   5           HA       ILE   5   6.357  -9.101  -8.048
   26    HB   ILE   5           HB       ILE   5   9.056  -7.854  -8.797
   27   1HG1  ILE   5          HG12      ILE   5   7.569  -7.154 -10.887
   28   2HG1  ILE   5          HG13      ILE   5   6.229  -7.268  -9.762
   29   1HG2  ILE   5          HG21      ILE   5   8.825 -10.172  -9.603
   30   2HG2  ILE   5          HG22      ILE   5   7.260  -9.775 -10.352
   31   3HG2  ILE   5          HG23      ILE   5   8.771  -9.052 -10.938
   32   1HD1  ILE   5          HD11      ILE   5   8.700  -5.498  -9.410
   33   2HD1  ILE   5          HD12      ILE   5   7.144  -4.966 -10.080
   34   3HD1  ILE   5          HD13      ILE   5   7.245  -5.469  -8.394
   35    H    GLN   6           H        GLN   6   7.395 -11.259  -8.030
   36    HA   GLN   6           HA       GLN   6   9.368 -11.703  -5.850
   37   1HB   GLN   6          HB2       GLN   6   8.003 -13.656  -5.103
   38   2HB   GLN   6          HB3       GLN   6   7.370 -12.079  -4.717
   39   1HG   GLN   6          HG2       GLN   6   6.364 -13.533  -7.190
   40   2HG   GLN   6          HG3       GLN   6   5.780 -13.978  -5.594
   41   1HE2  GLN   6          HE22      GLN   6   5.028 -11.957  -8.193
   42   2HE2  GLN   6          HE21      GLN   6   4.163 -10.715  -7.305
   43    H    MET   7           H        MET   7   9.679 -11.619  -8.775
   44    HA   MET   7           HA       MET   7  11.219 -14.029  -9.068
   45   1HB   MET   7          HB2       MET   7  10.203 -14.661 -11.242
   46   2HB   MET   7          HB3       MET   7   9.130 -14.964  -9.886
   47   1HG   MET   7          HG2       MET   7   8.921 -12.482 -11.627
   48   2HG   MET   7          HG3       MET   7   8.126 -13.999 -12.011
   49   1HE   MET   7          HE1       MET   7   6.000 -14.917 -10.997
   50   2HE   MET   7          HE2       MET   7   4.798 -13.710 -10.488
   51   3HE   MET   7          HE3       MET   7   5.642 -13.518 -12.036
   52    H    ALA   8           H        ALA   8  12.664 -13.777 -10.965
   53    HA   ALA   8           HA       ALA   8  13.235 -10.955 -11.616
   54   1HB   ALA   8          HB1       ALA   8  15.082 -12.491 -11.051
   55   2HB   ALA   8          HB2       ALA   8  14.623 -13.540 -12.418
   56   3HB   ALA   8          HB3       ALA   8  15.210 -11.891 -12.723
   57    H    GLY   9           H        GLY   9  12.853  -9.987 -13.612
   58   1HA   GLY   9          HA2       GLY   9  12.624 -11.311 -16.059
   59   2HA   GLY   9          HA3       GLY   9  10.989 -11.280 -15.408
   60    H    ASN  10           H        ASN  10  10.253  -9.886 -17.071
   61    HA   ASN  10           HA       ASN  10  11.003  -7.013 -16.689
   62   1HB   ASN  10          HB2       ASN  10  10.786  -8.576 -19.276
   63   2HB   ASN  10          HB3       ASN  10  10.260  -6.898 -19.219
   64   1HD2  ASN  10          HD22      ASN  10  13.070  -7.878 -17.194
   65   2HD2  ASN  10          HD21      ASN  10  14.242  -7.101 -18.234
   66    H    LEU  11           H        LEU  11   9.242  -5.712 -16.511
   67    HA   LEU  11           HA       LEU  11   6.821  -7.092 -15.745
   68   1HB   LEU  11          HB2       LEU  11   8.064  -5.270 -14.483
   69   2HB   LEU  11          HB3       LEU  11   7.444  -4.126 -15.662
   70    HG   LEU  11           HG       LEU  11   5.091  -4.857 -15.008
   71   1HD1  LEU  11          HD11      LEU  11   6.623  -6.415 -12.869
   72   2HD1  LEU  11          HD12      LEU  11   4.904  -6.015 -12.751
   73   3HD1  LEU  11          HD13      LEU  11   5.467  -7.075 -14.041
   74   1HD2  LEU  11          HD21      LEU  11   5.150  -3.598 -12.899
   75   2HD2  LEU  11          HD22      LEU  11   6.899  -3.855 -12.763
   76   3HD2  LEU  11          HD23      LEU  11   6.234  -2.865 -14.085
   77    H    TRP  12           H        TRP  12   6.391  -7.793 -17.945
   78    HA   TRP  12           HA       TRP  12   5.953  -6.814 -20.279
   79   1HB   TRP  12          HB2       TRP  12   5.181  -9.037 -19.293
   80   2HB   TRP  12          HB3       TRP  12   3.664  -8.250 -18.900
   81    HD1  TRP  12           HD1      TRP  12   5.861  -9.059 -21.906
   82    HE1  TRP  12           HE1      TRP  12   4.445  -9.457 -23.997
   83    HE3  TRP  12           HE3      TRP  12   1.268  -8.012 -19.938
   84    HZ2  TRP  12           HZ2      TRP  12   1.638  -9.291 -24.731
   85    HZ3  TRP  12           HZ3      TRP  12  -0.770  -8.194 -21.334
   86    HH2  TRP  12           HH2      TRP  12  -0.597  -8.810 -23.735
   87    H    LYS  13           H        LYS  13   3.279  -6.262 -17.893
   88    HA   LYS  13           HA       LYS  13   2.819  -3.600 -19.006
   89   1HB   LYS  13          HB2       LYS  13   0.678  -5.777 -19.054
   90   2HB   LYS  13          HB3       LYS  13   0.294  -4.058 -19.070
   91   1HG   LYS  13          HG2       LYS  13   1.701  -3.798 -21.144
   92   2HG   LYS  13          HG3       LYS  13   1.871  -5.563 -21.188
   93   1HD   LYS  13          HD2       LYS  13  -0.664  -5.716 -21.198
   94   2HD   LYS  13          HD3       LYS  13  -0.722  -3.965 -21.402
   95   1HE   LYS  13          HE2       LYS  13   0.673  -5.934 -23.282
   96   2HE   LYS  13          HE3       LYS  13  -0.942  -5.270 -23.536
   97   1HZ   LYS  13          HZ1       LYS  13   0.051  -3.056 -23.666
   98   2HZ   LYS  13          HZ2       LYS  13   1.555  -3.677 -23.471
   99   3HZ   LYS  13          HZ3       LYS  13   0.683  -4.042 -24.794
  100    H    VAL  14           H        VAL  14   1.260  -2.401 -17.587
  101    HA   VAL  14           HA       VAL  14   0.972  -3.423 -14.836
  102    HB   VAL  14           HB       VAL  14   2.162  -0.703 -15.582
  103   1HG1  VAL  14          HG11      VAL  14   0.805  -0.495 -13.558
  104   2HG1  VAL  14          HG12      VAL  14   1.560  -1.948 -12.854
  105   3HG1  VAL  14          HG13      VAL  14   2.505  -0.467 -13.108
  106   1HG2  VAL  14          HG21      VAL  14   3.408  -3.154 -14.294
  107   2HG2  VAL  14          HG22      VAL  14   3.880  -2.413 -15.838
  108   3HG2  VAL  14          HG23      VAL  14   4.177  -1.545 -14.332
  109    H    HIS  15           H        HIS  15  -0.940  -2.601 -13.902
  110    HA   HIS  15           HA       HIS  15  -2.773  -1.265 -15.848
  111   1HB   HIS  15          HB2       HIS  15  -3.591  -3.200 -13.684
  112   2HB   HIS  15          HB3       HIS  15  -4.464  -2.747 -15.142
  113    HD1  HIS  15           HD1      HIS  15  -2.167  -3.479 -17.313
  114    HD2  HIS  15           HD2      HIS  15  -3.235  -5.739 -13.928
  115    HE1  HIS  15           HE1      HIS  15  -1.256  -5.838 -17.695
  116    H    VAL  16           H        VAL  16  -1.398  -1.009 -12.664
  117    HA   VAL  16           HA       VAL  16  -3.583   0.590 -11.553
  118    HB   VAL  16           HB       VAL  16  -2.012   0.903  -9.666
  119   1HG1  VAL  16          HG11      VAL  16  -2.432  -1.990 -10.501
  120   2HG1  VAL  16          HG12      VAL  16  -2.099  -1.409  -8.852
  121   3HG1  VAL  16          HG13      VAL  16  -3.602  -0.951  -9.668
  122   1HG2  VAL  16          HG21      VAL  16   0.078  -0.085  -9.468
  123   2HG2  VAL  16          HG22      VAL  16  -0.125  -1.118 -10.906
  124   3HG2  VAL  16          HG23      VAL  16   0.133   0.633 -11.071
  125    H    LYS  17           H        LYS  17  -3.111   2.702 -10.586
  126    HA   LYS  17           HA       LYS  17  -0.964   4.302 -11.624
  127   1HB   LYS  17          HB2       LYS  17  -2.306   6.129 -12.449
  128   2HB   LYS  17          HB3       LYS  17  -2.685   4.694 -13.397
  129   1HG   LYS  17          HG2       LYS  17  -4.806   4.398 -12.212
  130   2HG   LYS  17          HG3       LYS  17  -4.391   5.666 -11.063
  131   1HD   LYS  17          HD2       LYS  17  -4.222   7.203 -13.229
  132   2HD   LYS  17          HD3       LYS  17  -5.199   5.921 -13.951
  133   1HE   LYS  17          HE2       LYS  17  -6.772   7.494 -13.135
  134   2HE   LYS  17          HE3       LYS  17  -6.790   6.184 -11.949
  135   1HZ   LYS  17          HZ1       LYS  17  -5.237   7.593 -10.586
  136   2HZ   LYS  17          HZ2       LYS  17  -5.409   8.796 -11.679
  137   3HZ   LYS  17          HZ3       LYS  17  -6.700   8.294 -10.830
  138    H    ALA  18           H        ALA  18  -0.918   6.357 -10.229
  139    HA   ALA  18           HA       ALA  18  -1.596   5.906  -7.500
  140   1HB   ALA  18          HB1       ALA  18   0.120   7.537  -8.202
  141   2HB   ALA  18          HB2       ALA  18  -1.135   8.539  -8.975
  142   3HB   ALA  18          HB3       ALA  18  -1.131   8.314  -7.213
  143    H    GLY  19           H        GLY  19  -3.415   6.382  -6.312
  144   1HA   GLY  19          HA2       GLY  19  -5.494   7.211  -5.792
  145   2HA   GLY  19          HA3       GLY  19  -5.618   7.977  -7.381
  146    H    ASP  20           H        ASP  20  -4.740   4.847  -8.155
  147    HA   ASP  20           HA       ASP  20  -7.462   3.960  -8.716
  148   1HB   ASP  20          HB2       ASP  20  -5.430   3.410 -10.123
  149   2HB   ASP  20          HB3       ASP  20  -4.867   2.372  -8.800
  150    H    GLN  21           H        GLN  21  -8.094   1.691  -7.888
  151    HA   GLN  21           HA       GLN  21  -7.251   1.251  -5.062
  152   1HB   GLN  21          HB2       GLN  21  -9.517   2.306  -5.168
  153   2HB   GLN  21          HB3       GLN  21 -10.077   0.966  -6.176
  154   1HG   GLN  21          HG2       GLN  21  -9.583  -0.634  -4.358
  155   2HG   GLN  21          HG3       GLN  21  -8.966   0.665  -3.342
  156   1HE2  GLN  21          HE22      GLN  21 -11.141  -1.181  -2.713
  157   2HE2  GLN  21          HE21      GLN  21 -12.578  -0.217  -2.488
  158    H    ILE  22           H        ILE  22  -6.892  -0.890  -4.569
  159    HA   ILE  22           HA       ILE  22  -7.398  -2.933  -6.660
  160    HB   ILE  22           HB       ILE  22  -5.234  -3.888  -6.384
  161   1HG1  ILE  22          HG12      ILE  22  -4.656  -1.756  -4.283
  162   2HG1  ILE  22          HG13      ILE  22  -4.795  -3.500  -4.033
  163   1HG2  ILE  22          HG21      ILE  22  -4.834  -0.898  -6.805
  164   2HG2  ILE  22          HG22      ILE  22  -3.840  -2.207  -7.443
  165   3HG2  ILE  22          HG23      ILE  22  -5.498  -2.017  -8.015
  166   1HD1  ILE  22          HD11      ILE  22  -2.587  -2.010  -5.479
  167   2HD1  ILE  22          HD12      ILE  22  -2.481  -3.028  -4.024
  168   3HD1  ILE  22          HD13      ILE  22  -2.789  -3.772  -5.594
  169    H    GLU  23           H        GLU  23  -7.289  -5.161  -5.707
  170    HA   GLU  23           HA       GLU  23  -8.122  -5.269  -2.875
  171   1HB   GLU  23          HB2       GLU  23 -10.137  -5.065  -4.249
  172   2HB   GLU  23          HB3       GLU  23  -9.615  -6.429  -5.259
  173   1HG   GLU  23          HG2       GLU  23  -9.759  -7.935  -3.296
  174   2HG   GLU  23          HG3       GLU  23 -10.187  -6.569  -2.264
  175    H    LYS  24           H        LYS  24  -7.350  -7.174  -1.889
  176    HA   LYS  24           HA       LYS  24  -5.086  -8.425  -2.802
  177   1HB   LYS  24          HB2       LYS  24  -6.057  -8.529  -0.499
  178   2HB   LYS  24          HB3       LYS  24  -7.251  -9.700  -1.070
  179   1HG   LYS  24          HG2       LYS  24  -5.415 -11.275  -1.672
  180   2HG   LYS  24          HG3       LYS  24  -4.226 -10.087  -1.135
  181   1HD   LYS  24          HD2       LYS  24  -5.322 -10.188   1.184
  182   2HD   LYS  24          HD3       LYS  24  -6.357 -11.472   0.551
  183   1HE   LYS  24          HE2       LYS  24  -4.683 -12.698   1.586
  184   2HE   LYS  24          HE3       LYS  24  -4.154 -12.689  -0.097
  185   1HZ   LYS  24          HZ1       LYS  24  -3.115 -11.003   2.105
  186   2HZ   LYS  24          HZ2       LYS  24  -2.310 -12.174   1.310
  187   3HZ   LYS  24          HZ3       LYS  24  -2.683 -10.769   0.548
  188    H    GLY  25           H        GLY  25  -4.584  -9.799  -4.436
  189   1HA   GLY  25          HA2       GLY  25  -4.758 -11.735  -5.695
  190   2HA   GLY  25          HA3       GLY  25  -6.455 -11.916  -5.249
  191    H    GLN  26           H        GLN  26  -6.472  -8.752  -6.183
  192    HA   GLN  26           HA       GLN  26  -7.417  -9.211  -8.878
  193   1HB   GLN  26          HB2       GLN  26  -7.960  -7.218  -7.296
  194   2HB   GLN  26          HB3       GLN  26  -6.327  -6.630  -7.682
  195   1HG   GLN  26          HG2       GLN  26  -7.190  -6.898 -10.198
  196   2HG   GLN  26          HG3       GLN  26  -8.777  -6.863  -9.448
  197   1HE2  GLN  26          HE22      GLN  26  -5.993  -5.017 -10.413
  198   2HE2  GLN  26          HE21      GLN  26  -6.568  -3.445  -9.869
  199    H    GLU  27           H        GLU  27  -6.196  -9.041 -10.818
  200    HA   GLU  27           HA       GLU  27  -3.301  -9.045 -10.664
  201   1HB   GLU  27          HB2       GLU  27  -3.304  -9.200 -12.998
  202   2HB   GLU  27          HB3       GLU  27  -4.600 -10.234 -12.433
  203   1HG   GLU  27          HG2       GLU  27  -4.855  -7.495 -13.743
  204   2HG   GLU  27          HG3       GLU  27  -5.197  -9.052 -14.478
  205    H    VAL  28           H        VAL  28  -1.917  -7.379 -11.074
  206    HA   VAL  28           HA       VAL  28  -2.985  -4.632 -11.485
  207    HB   VAL  28           HB       VAL  28  -1.292  -3.902  -9.720
  208   1HG1  VAL  28          HG11      VAL  28  -3.654  -5.568  -8.733
  209   2HG1  VAL  28          HG12      VAL  28  -2.820  -4.273  -7.857
  210   3HG1  VAL  28          HG13      VAL  28  -3.744  -3.897  -9.324
  211   1HG2  VAL  28          HG21      VAL  28  -0.064  -6.092  -9.507
  212   2HG2  VAL  28          HG22      VAL  28  -0.677  -5.462  -7.965
  213   3HG2  VAL  28          HG23      VAL  28  -1.537  -6.774  -8.782
  214    H    ALA  29           H        ALA  29  -0.464  -7.045 -12.068
  215    HA   ALA  29           HA       ALA  29   0.356  -5.448 -14.340
  216   1HB   ALA  29          HB1       ALA  29   2.796  -5.557 -13.779
  217   2HB   ALA  29          HB2       ALA  29   1.906  -4.522 -12.659
  218   3HB   ALA  29          HB3       ALA  29   2.394  -6.146 -12.157
  219    H    ILE  30           H        ILE  30   2.215  -6.830 -15.461
  220    HA   ILE  30           HA       ILE  30   1.804  -9.735 -15.086
  221    HB   ILE  30           HB       ILE  30   1.471  -8.207 -17.701
  222   1HG1  ILE  30          HG12      ILE  30  -0.388 -10.188 -16.301
  223   2HG1  ILE  30          HG13      ILE  30  -0.560  -8.441 -16.246
  224   1HG2  ILE  30          HG21      ILE  30   1.328 -10.406 -18.853
  225   2HG2  ILE  30          HG22      ILE  30   2.897 -10.228 -18.118
  226   3HG2  ILE  30          HG23      ILE  30   1.678 -11.240 -17.324
  227   1HD1  ILE  30          HD11      ILE  30  -2.125  -9.273 -17.836
  228   2HD1  ILE  30          HD12      ILE  30  -0.872  -8.378 -18.713
  229   3HD1  ILE  30          HD13      ILE  30  -0.881 -10.162 -18.721
  230    H    LEU  31           H        LEU  31   3.642 -10.865 -15.629
  231    HA   LEU  31           HA       LEU  31   6.169  -9.329 -16.000
  232   1HB   LEU  31          HB2       LEU  31   5.830  -9.915 -13.713
  233   2HB   LEU  31          HB3       LEU  31   5.327 -11.562 -14.098
  234    HG   LEU  31           HG       LEU  31   7.524 -11.222 -12.987
  235   1HD1  LEU  31          HD11      LEU  31   7.695 -12.758 -15.603
  236   2HD1  LEU  31          HD12      LEU  31   8.709 -12.965 -14.164
  237   3HD1  LEU  31          HD13      LEU  31   6.979 -13.334 -14.088
  238   1HD2  LEU  31          HD21      LEU  31   8.663 -10.468 -15.670
  239   2HD2  LEU  31          HD22      LEU  31   8.167  -9.250 -14.480
  240   3HD2  LEU  31          HD23      LEU  31   9.418 -10.432 -14.060
  241    H    GLU  32           H        GLU  32   7.479 -10.176 -17.563
  242    HA   GLU  32           HA       GLU  32   6.723 -12.747 -18.862
  243   1HB   GLU  32          HB2       GLU  32   6.546 -10.773 -20.341
  244   2HB   GLU  32          HB3       GLU  32   8.218 -10.331 -19.967
  245   1HG   GLU  32          HG2       GLU  32   8.947 -12.557 -20.930
  246   2HG   GLU  32          HG3       GLU  32   7.268 -12.872 -21.369
  247    H    SER  33           H        SER  33   8.159 -14.351 -18.505
  248    HA   SER  33           HA       SER  33  10.976 -14.031 -18.328
  249   1HB   SER  33          HB2       SER  33  10.192 -13.188 -15.999
  250   2HB   SER  33          HB3       SER  33   9.681 -14.849 -15.687
  251    HG   SER  33           HG       SER  33  11.874 -14.086 -15.063
  252    H    MET  34           H        MET  34  11.928 -16.277 -17.793
  253    HA   MET  34           HA       MET  34  12.044 -18.498 -18.269
  254   1HB   MET  34          HB2       MET  34   9.286 -18.560 -16.989
  255   2HB   MET  34          HB3       MET  34  10.411 -19.908 -17.103
  256   1HG   MET  34          HG2       MET  34  11.948 -18.910 -15.579
  257   2HG   MET  34          HG3       MET  34  11.118 -17.357 -15.604
  258   1HE   MET  34          HE1       MET  34   7.992 -17.785 -13.427
  259   2HE   MET  34          HE2       MET  34   9.116 -16.651 -14.200
  260   3HE   MET  34          HE3       MET  34   8.119 -17.735 -15.196
  261    H    LYS  35           H        LYS  35  10.992 -16.851 -20.433
  262    HA   LYS  35           HA       LYS  35   9.855 -16.837 -22.378
  263   1HB   LYS  35          HB2       LYS  35  10.202 -19.859 -22.314
  264   2HB   LYS  35          HB3       LYS  35   9.864 -18.878 -23.732
  265   1HG   LYS  35          HG2       LYS  35  12.422 -18.794 -22.081
  266   2HG   LYS  35          HG3       LYS  35  12.199 -19.563 -23.653
  267   1HD   LYS  35          HD2       LYS  35  11.614 -17.314 -24.627
  268   2HD   LYS  35          HD3       LYS  35  12.051 -16.564 -23.088
  269   1HE   LYS  35          HE2       LYS  35  13.906 -18.257 -24.827
  270   2HE   LYS  35          HE3       LYS  35  13.855 -16.494 -24.823
  271   1HZ   LYS  35          HZ1       LYS  35  15.626 -17.298 -23.429
  272   2HZ   LYS  35          HZ2       LYS  35  14.537 -16.533 -22.494
  273   3HZ   LYS  35          HZ3       LYS  35  14.613 -18.171 -22.502
  274    H    MET  36           H        MET  36   8.220 -16.751 -20.055
  275    HA   MET  36           HA       MET  36   5.629 -17.618 -21.174
  276   1HB   MET  36          HB2       MET  36   6.684 -18.163 -18.358
  277   2HB   MET  36          HB3       MET  36   4.979 -18.260 -18.799
  278   1HG   MET  36          HG2       MET  36   5.499 -19.991 -20.484
  279   2HG   MET  36          HG3       MET  36   7.185 -19.980 -19.975
  280   1HE   MET  36          HE1       MET  36   8.104 -20.912 -17.735
  281   2HE   MET  36          HE2       MET  36   7.086 -19.808 -16.777
  282   3HE   MET  36          HE3       MET  36   7.102 -21.544 -16.411
  283    H    GLU  37           H        GLU  37   3.886 -16.546 -19.725
  284    HA   GLU  37           HA       GLU  37   4.680 -13.850 -18.768
  285   1HB   GLU  37          HB2       GLU  37   2.353 -14.648 -20.556
  286   2HB   GLU  37          HB3       GLU  37   2.386 -13.141 -19.628
  287   1HG   GLU  37          HG2       GLU  37   4.250 -12.284 -20.853
  288   2HG   GLU  37          HG3       GLU  37   4.602 -13.854 -21.578
  289    H    ILE  38           H        ILE  38   3.757 -13.400 -16.796
  290    HA   ILE  38           HA       ILE  38   1.917 -15.375 -15.563
  291    HB   ILE  38           HB       ILE  38   4.482 -14.297 -14.286
  292   1HG1  ILE  38          HG12      ILE  38   5.061 -16.917 -14.415
  293   2HG1  ILE  38          HG13      ILE  38   4.065 -16.854 -15.855
  294   1HG2  ILE  38          HG21      ILE  38   2.675 -14.911 -12.711
  295   2HG2  ILE  38          HG22      ILE  38   2.577 -16.528 -13.444
  296   3HG2  ILE  38          HG23      ILE  38   4.039 -16.015 -12.577
  297   1HD1  ILE  38          HD11      ILE  38   6.394 -16.582 -16.466
  298   2HD1  ILE  38          HD12      ILE  38   5.653 -14.993 -16.698
  299   3HD1  ILE  38          HD13      ILE  38   6.629 -15.312 -15.257
  300    HA   PRO  39           HA       PRO  39   0.294 -11.311 -14.393
  301   1HB   PRO  39          HB2       PRO  39  -1.683 -12.024 -12.635
  302   2HB   PRO  39          HB3       PRO  39  -1.828 -12.212 -14.409
  303   1HG   PRO  39          HG2       PRO  39  -1.055 -14.310 -12.365
  304   2HG   PRO  39          HG3       PRO  39  -2.224 -14.452 -13.717
  305   1HD   PRO  39          HD2       PRO  39   0.358 -15.359 -13.892
  306   2HD   PRO  39          HD3       PRO  39  -0.496 -14.670 -15.307
  307    H    ILE  40           H        ILE  40   0.392  -9.908 -12.620
  308    HA   ILE  40           HA       ILE  40   1.704 -10.853 -10.118
  309    HB   ILE  40           HB       ILE  40   2.016  -8.212 -11.582
  310   1HG1  ILE  40          HG12      ILE  40   3.319  -9.930 -12.727
  311   2HG1  ILE  40          HG13      ILE  40   4.337  -8.723 -11.964
  312   1HG2  ILE  40          HG21      ILE  40   3.218  -9.132  -8.941
  313   2HG2  ILE  40          HG22      ILE  40   3.729  -7.683  -9.832
  314   3HG2  ILE  40          HG23      ILE  40   2.082  -7.801  -9.202
  315   1HD1  ILE  40          HD11      ILE  40   4.856 -10.273 -10.107
  316   2HD1  ILE  40          HD12      ILE  40   3.785 -11.501 -10.825
  317   3HD1  ILE  40          HD13      ILE  40   5.253 -10.989 -11.668
  318    H    VAL  41           H        VAL  41   0.428 -10.506  -8.423
  319    HA   VAL  41           HA       VAL  41  -2.104  -9.035  -8.842
  320    HB   VAL  41           HB       VAL  41  -3.000 -10.667  -7.126
  321   1HG1  VAL  41          HG11      VAL  41  -3.318 -12.498  -8.735
  322   2HG1  VAL  41          HG12      VAL  41  -3.562 -10.916  -9.462
  323   3HG1  VAL  41          HG13      VAL  41  -2.054 -11.810  -9.784
  324   1HG2  VAL  41          HG21      VAL  41  -0.804 -11.483  -6.235
  325   2HG2  VAL  41          HG22      VAL  41  -1.884 -12.780  -6.762
  326   3HG2  VAL  41          HG23      VAL  41  -0.518 -12.312  -7.787
  327    H    ALA  42           H        ALA  42  -3.106  -8.090  -7.030
  328    HA   ALA  42           HA       ALA  42  -1.425  -6.516  -5.340
  329   1HB   ALA  42          HB1       ALA  42  -4.376  -7.215  -5.157
  330   2HB   ALA  42          HB2       ALA  42  -3.582  -5.874  -4.313
  331   3HB   ALA  42          HB3       ALA  42  -3.710  -5.867  -6.088
  332    H    ASP  43           H        ASP  43  -0.285  -7.337  -3.643
  333    HA   ASP  43           HA       ASP  43  -0.819  -9.825  -2.327
  334   1HB   ASP  43          HB2       ASP  43   1.402  -8.825  -2.308
  335   2HB   ASP  43          HB3       ASP  43   0.788  -7.366  -1.523
  336    H    ARG  44           H        ARG  44  -2.135  -6.597  -1.892
  337    HA   ARG  44           HA       ARG  44  -4.024  -7.519   0.102
  338   1HB   ARG  44          HB2       ARG  44  -3.420  -5.829   1.779
  339   2HB   ARG  44          HB3       ARG  44  -2.118  -6.990   1.538
  340   1HG   ARG  44          HG2       ARG  44  -1.103  -5.192  -0.110
  341   2HG   ARG  44          HG3       ARG  44  -2.272  -4.095   0.628
  342   1HD   ARG  44          HD2       ARG  44  -0.136  -3.849   1.711
  343   2HD   ARG  44          HD3       ARG  44  -1.266  -4.596   2.863
  344    HE   ARG  44           HE       ARG  44   0.183  -6.625   1.421
  345   1HH1  ARG  44          HH11      ARG  44   0.735  -4.254   4.028
  346   2HH1  ARG  44          HH12      ARG  44   2.021  -5.163   4.729
  347   1HH2  ARG  44          HH21      ARG  44   1.764  -7.757   2.278
  348   2HH2  ARG  44          HH22      ARG  44   2.655  -7.265   3.708
  349    H    SER  45           H        SER  45  -5.766  -5.933   0.338
  350    HA   SER  45           HA       SER  45  -6.263  -4.366  -2.010
  351   1HB   SER  45          HB2       SER  45  -7.713  -4.290   0.668
  352   2HB   SER  45          HB3       SER  45  -8.380  -3.931  -0.932
  353    HG   SER  45           HG       SER  45  -8.860  -6.072  -0.043
  354    H    GLY  46           H        GLY  46  -6.637  -2.006  -2.058
  355   1HA   GLY  46          HA2       GLY  46  -6.547  -0.225  -0.014
  356   2HA   GLY  46          HA3       GLY  46  -4.828  -0.436  -0.366
  357    H    ILE  47           H        ILE  47  -5.538   2.019  -0.682
  358    HA   ILE  47           HA       ILE  47  -6.188   2.581  -3.520
  359    HB   ILE  47           HB       ILE  47  -5.491   4.411  -1.183
  360   1HG1  ILE  47          HG12      ILE  47  -7.706   3.426  -0.858
  361   2HG1  ILE  47          HG13      ILE  47  -7.802   5.147  -1.176
  362   1HG2  ILE  47          HG21      ILE  47  -4.772   5.498  -3.212
  363   2HG2  ILE  47          HG22      ILE  47  -6.294   5.114  -4.035
  364   3HG2  ILE  47          HG23      ILE  47  -6.267   6.269  -2.684
  365   1HD1  ILE  47          HD11      ILE  47  -8.367   2.960  -3.218
  366   2HD1  ILE  47          HD12      ILE  47  -9.581   3.902  -2.338
  367   3HD1  ILE  47          HD13      ILE  47  -8.521   4.707  -3.508
  368    H    VAL  48           H        VAL  48  -4.562   2.973  -4.964
  369    HA   VAL  48           HA       VAL  48  -1.796   2.352  -4.308
  370    HB   VAL  48           HB       VAL  48  -2.994   3.505  -6.825
  371   1HG1  VAL  48          HG11      VAL  48  -0.507   3.697  -6.686
  372   2HG1  VAL  48          HG12      VAL  48  -0.389   1.960  -6.321
  373   3HG1  VAL  48          HG13      VAL  48  -0.993   2.511  -7.899
  374   1HG2  VAL  48          HG21      VAL  48  -4.094   1.361  -6.337
  375   2HG2  VAL  48          HG22      VAL  48  -2.970   1.181  -7.674
  376   3HG2  VAL  48          HG23      VAL  48  -2.517   0.589  -6.055
  377    H    LYS  49           H        LYS  49  -0.589   3.771  -3.182
  378    HA   LYS  49           HA       LYS  49  -1.125   6.657  -3.186
  379   1HB   LYS  49          HB2       LYS  49  -0.293   5.513  -1.160
  380   2HB   LYS  49          HB3       LYS  49   1.176   5.021  -2.015
  381   1HG   LYS  49          HG2       LYS  49   1.810   7.399  -2.286
  382   2HG   LYS  49          HG3       LYS  49   0.296   7.898  -1.502
  383   1HD   LYS  49          HD2       LYS  49   0.996   6.728   0.577
  384   2HD   LYS  49          HD3       LYS  49   2.511   6.235  -0.213
  385   1HE   LYS  49          HE2       LYS  49   3.105   8.626  -0.554
  386   2HE   LYS  49          HE3       LYS  49   1.598   9.117   0.227
  387   1HZ   LYS  49          HZ1       LYS  49   2.394   8.073   2.270
  388   2HZ   LYS  49          HZ2       LYS  49   3.791   7.619   1.548
  389   3HZ   LYS  49          HZ3       LYS  49   3.454   9.198   1.761
  390    H    GLU  50           H        GLU  50   1.280   4.293  -4.532
  391    HA   GLU  50           HA       GLU  50   1.970   6.198  -6.648
  392   1HB   GLU  50          HB2       GLU  50   3.333   6.940  -4.676
  393   2HB   GLU  50          HB3       GLU  50   4.000   5.320  -4.532
  394   1HG   GLU  50          HG2       GLU  50   5.570   6.881  -5.569
  395   2HG   GLU  50          HG3       GLU  50   5.176   5.564  -6.653
  396    H    VAL  51           H        VAL  51   3.452   5.155  -8.235
  397    HA   VAL  51           HA       VAL  51   3.464   2.173  -8.084
  398    HB   VAL  51           HB       VAL  51   3.112   3.814 -10.624
  399   1HG1  VAL  51          HG11      VAL  51   2.811   0.819 -10.063
  400   2HG1  VAL  51          HG12      VAL  51   2.500   1.624 -11.614
  401   3HG1  VAL  51          HG13      VAL  51   4.140   1.580 -10.966
  402   1HG2  VAL  51          HG21      VAL  51   1.010   2.301  -9.019
  403   2HG2  VAL  51          HG22      VAL  51   1.045   4.055  -9.309
  404   3HG2  VAL  51          HG23      VAL  51   0.773   2.953 -10.656
  405    H    LYS  52           H        LYS  52   5.461   1.263  -8.597
  406    HA   LYS  52           HA       LYS  52   7.722   3.215  -8.756
  407   1HB   LYS  52          HB2       LYS  52   7.547   0.534  -7.319
  408   2HB   LYS  52          HB3       LYS  52   8.923   1.622  -7.293
  409   1HG   LYS  52          HG2       LYS  52   6.174   2.161  -6.085
  410   2HG   LYS  52          HG3       LYS  52   7.636   1.744  -5.211
  411   1HD   LYS  52          HD2       LYS  52   7.239   4.312  -6.805
  412   2HD   LYS  52          HD3       LYS  52   7.076   4.140  -5.055
  413   1HE   LYS  52          HE2       LYS  52   9.449   3.420  -4.895
  414   2HE   LYS  52          HE3       LYS  52   9.631   3.614  -6.643
  415   1HZ   LYS  52          HZ1       LYS  52   8.999   5.799  -4.741
  416   2HZ   LYS  52          HZ2       LYS  52  10.439   5.546  -5.453
  417   3HZ   LYS  52          HZ3       LYS  52   9.161   5.982  -6.361
  418    H    LYS  53           H        LYS  53   6.265   1.443 -10.915
  419    HA   LYS  53           HA       LYS  53   8.696   0.756 -12.367
  420   1HB   LYS  53          HB2       LYS  53   6.497  -1.307 -11.817
  421   2HB   LYS  53          HB3       LYS  53   7.786  -1.506 -13.007
  422   1HG   LYS  53          HG2       LYS  53   8.219  -1.287 -10.023
  423   2HG   LYS  53          HG3       LYS  53   8.192  -2.783 -10.941
  424   1HD   LYS  53          HD2       LYS  53  10.137  -2.152 -12.243
  425   2HD   LYS  53          HD3       LYS  53  10.177  -0.537 -11.549
  426   1HE   LYS  53          HE2       LYS  53  10.601  -3.104  -9.983
  427   2HE   LYS  53          HE3       LYS  53  11.870  -2.029 -10.571
  428   1HZ   LYS  53          HZ1       LYS  53  10.856  -0.271  -9.170
  429   2HZ   LYS  53          HZ2       LYS  53   9.803  -1.385  -8.567
  430   3HZ   LYS  53          HZ3       LYS  53  11.399  -1.600  -8.307
  431    H    LYS  54           H        LYS  54   7.788  -0.202 -14.632
  432    HA   LYS  54           HA       LYS  54   5.278   1.015 -15.453
  433   1HB   LYS  54          HB2       LYS  54   6.229   2.234 -17.336
  434   2HB   LYS  54          HB3       LYS  54   6.825   2.902 -15.822
  435   1HG   LYS  54          HG2       LYS  54   8.983   1.817 -16.097
  436   2HG   LYS  54          HG3       LYS  54   8.433   0.926 -17.516
  437   1HD   LYS  54          HD2       LYS  54   8.619   3.957 -17.352
  438   2HD   LYS  54          HD3       LYS  54   9.880   2.925 -18.013
  439   1HE   LYS  54          HE2       LYS  54   7.031   3.102 -19.108
  440   2HE   LYS  54          HE3       LYS  54   8.415   3.990 -19.738
  441   1HZ   LYS  54          HZ1       LYS  54   9.469   1.856 -20.259
  442   2HZ   LYS  54          HZ2       LYS  54   8.139   1.029 -19.754
  443   3HZ   LYS  54          HZ3       LYS  54   8.050   2.031 -21.036
  444    H    GLU  55           H        GLU  55   4.870   0.357 -17.774
  445    HA   GLU  55           HA       GLU  55   5.147  -2.408 -18.167
  446   1HB   GLU  55          HB2       GLU  55   4.837  -0.323 -20.380
  447   2HB   GLU  55          HB3       GLU  55   4.368  -2.016 -20.416
  448   1HG   GLU  55          HG2       GLU  55   2.316  -1.153 -20.012
  449   2HG   GLU  55          HG3       GLU  55   2.836  -1.285 -18.338
  450    H    GLY  56           H        GLY  56   6.721  -3.667 -18.957
  451   1HA   GLY  56          HA2       GLY  56   8.488  -4.391 -20.206
  452   2HA   GLY  56          HA3       GLY  56   8.663  -2.776 -20.907
  453    H    ASP  57           H        ASP  57   8.732  -2.289 -17.547
  454    HA   ASP  57           HA       ASP  57  11.584  -1.800 -17.636
  455   1HB   ASP  57          HB2       ASP  57   9.906  -0.466 -16.313
  456   2HB   ASP  57          HB3       ASP  57   9.778  -1.827 -15.193
  457    H    PHE  58           H        PHE  58  13.162  -2.766 -16.161
  458    HA   PHE  58           HA       PHE  58  13.015  -5.686 -15.996
  459   1HB   PHE  58          HB2       PHE  58  15.141  -4.521 -16.426
  460   2HB   PHE  58          HB3       PHE  58  14.978  -3.625 -14.923
  461    HD1  PHE  58           HD1      PHE  58  15.667  -6.971 -16.397
  462    HD2  PHE  58           HD2      PHE  58  15.564  -4.622 -12.778
  463    HE1  PHE  58           HE1      PHE  58  16.960  -8.727 -15.219
  464    HE2  PHE  58           HE2      PHE  58  16.868  -6.378 -11.607
  465    HZ   PHE  58           HZ       PHE  58  17.590  -8.421 -12.834
  466    H    VAL  59           H        VAL  59  12.700  -6.903 -14.092
  467    HA   VAL  59           HA       VAL  59  12.250  -5.509 -11.549
  468    HB   VAL  59           HB       VAL  59  10.175  -6.967 -11.203
  469   1HG1  VAL  59          HG11      VAL  59   8.669  -5.275 -12.076
  470   2HG1  VAL  59          HG12      VAL  59  10.112  -4.543 -11.364
  471   3HG1  VAL  59          HG13      VAL  59   9.940  -4.635 -13.134
  472   1HG2  VAL  59          HG21      VAL  59   8.810  -7.528 -13.126
  473   2HG2  VAL  59          HG22      VAL  59  10.048  -6.936 -14.247
  474   3HG2  VAL  59          HG23      VAL  59  10.369  -8.369 -13.241
  475    H    ASN  60           H        ASN  60  12.119  -7.069  -9.737
  476    HA   ASN  60           HA       ASN  60  13.436  -9.610 -10.270
  477   1HB   ASN  60          HB2       ASN  60  15.048  -7.395  -9.785
  478   2HB   ASN  60          HB3       ASN  60  14.845  -8.080  -8.172
  479   1HD2  ASN  60          HD22      ASN  60  15.476  -9.057 -11.595
  480   2HD2  ASN  60          HD21      ASN  60  16.623 -10.321 -11.198
  481    H    GLU  61           H        GLU  61  13.817 -10.830  -8.231
  482    HA   GLU  61           HA       GLU  61  11.355 -11.092  -6.825
  483   1HB   GLU  61          HB2       GLU  61  12.855 -12.953  -7.291
  484   2HB   GLU  61          HB3       GLU  61  14.148 -12.216  -6.353
  485   1HG   GLU  61          HG2       GLU  61  12.671 -12.403  -4.299
  486   2HG   GLU  61          HG3       GLU  61  11.452 -13.197  -5.295
  487    H    GLY  62           H        GLY  62  10.604  -9.597  -5.439
  488   1HA   GLY  62          HA2       GLY  62  10.554  -8.662  -3.298
  489   2HA   GLY  62          HA3       GLY  62  12.321  -8.612  -3.237
  490    H    ASP  63           H        ASP  63  11.443  -7.509  -6.333
  491    HA   ASP  63           HA       ASP  63  12.146  -4.776  -5.603
  492   1HB   ASP  63          HB2       ASP  63  12.854  -6.073  -7.710
  493   2HB   ASP  63          HB3       ASP  63  11.222  -5.793  -8.314
  494    H    VAL  64           H        VAL  64  10.713  -3.036  -5.463
  495    HA   VAL  64           HA       VAL  64   7.997  -3.722  -4.818
  496    HB   VAL  64           HB       VAL  64   9.380  -1.015  -5.044
  497   1HG1  VAL  64          HG11      VAL  64   6.948  -0.708  -5.098
  498   2HG1  VAL  64          HG12      VAL  64   6.748  -1.789  -3.705
  499   3HG1  VAL  64          HG13      VAL  64   7.568  -0.219  -3.525
  500   1HG2  VAL  64          HG21      VAL  64   9.537  -1.176  -2.561
  501   2HG2  VAL  64          HG22      VAL  64   8.879  -2.826  -2.635
  502   3HG2  VAL  64          HG23      VAL  64  10.461  -2.453  -3.350
  503    H    LEU  65           H        LEU  65   6.198  -3.590  -6.013
  504    HA   LEU  65           HA       LEU  65   6.266  -2.690  -8.831
  505   1HB   LEU  65          HB2       LEU  65   5.034  -4.778  -8.358
  506   2HB   LEU  65          HB3       LEU  65   4.125  -3.992  -7.075
  507    HG   LEU  65           HG       LEU  65   3.027  -2.496  -8.743
  508   1HD1  LEU  65          HD11      LEU  65   4.740  -2.467 -10.511
  509   2HD1  LEU  65          HD12      LEU  65   4.506  -4.212 -10.778
  510   3HD1  LEU  65          HD13      LEU  65   3.206  -3.054 -11.150
  511   1HD2  LEU  65          HD21      LEU  65   2.771  -5.456  -9.365
  512   2HD2  LEU  65          HD22      LEU  65   1.958  -4.596  -8.039
  513   3HD2  LEU  65          HD23      LEU  65   1.575  -4.190  -9.720
  514    H    LEU  66           H        LEU  66   4.601  -2.017  -5.660
  515    HA   LEU  66           HA       LEU  66   4.204   0.777  -6.431
  516   1HB   LEU  66          HB2       LEU  66   1.767   0.724  -6.441
  517   2HB   LEU  66          HB3       LEU  66   2.425  -0.282  -7.700
  518    HG   LEU  66           HG       LEU  66   1.985  -2.284  -6.171
  519   1HD1  LEU  66          HD11      LEU  66   0.050  -1.901  -4.552
  520   2HD1  LEU  66          HD12      LEU  66   1.596  -1.299  -3.988
  521   3HD1  LEU  66          HD13      LEU  66   0.405  -0.163  -4.663
  522   1HD2  LEU  66          HD21      LEU  66  -0.373  -0.663  -7.159
  523   2HD2  LEU  66          HD22      LEU  66   0.617  -1.809  -8.106
  524   3HD2  LEU  66          HD23      LEU  66  -0.385  -2.402  -6.786
  525    H    GLU  67           H        GLU  67   2.774   1.890  -4.743
  526    HA   GLU  67           HA       GLU  67   3.139   0.721  -2.061
  527   1HB   GLU  67          HB2       GLU  67   5.016   2.253  -2.357
  528   2HB   GLU  67          HB3       GLU  67   3.947   3.506  -2.970
  529   1HG   GLU  67          HG2       GLU  67   4.614   4.034  -0.719
  530   2HG   GLU  67          HG3       GLU  67   2.887   3.743  -0.756
  531    H    LEU  68           H        LEU  68   1.609   1.507  -0.540
  532    HA   LEU  68           HA       LEU  68  -0.953   2.358  -1.821
  533   1HB   LEU  68          HB2       LEU  68  -0.487   0.334   0.410
  534   2HB   LEU  68          HB3       LEU  68  -2.062   0.856  -0.177
  535    HG   LEU  68           HG       LEU  68   0.001  -0.703  -1.789
  536   1HD1  LEU  68          HD11      LEU  68  -1.609  -2.549  -1.640
  537   2HD1  LEU  68          HD12      LEU  68  -1.086  -2.031  -0.026
  538   3HD1  LEU  68          HD13      LEU  68  -2.686  -1.555  -0.639
  539   1HD2  LEU  68          HD21      LEU  68  -1.848  -0.946  -3.450
  540   2HD2  LEU  68          HD22      LEU  68  -2.810   0.224  -2.533
  541   3HD2  LEU  68          HD23      LEU  68  -1.262   0.691  -3.288
  542    H    SER  69           H        SER  69  -2.390   3.535  -0.527
  543    HA   SER  69           HA       SER  69  -1.190   5.432   1.229
  544   1HB   SER  69          HB2       SER  69  -4.126   4.940   0.610
  545   2HB   SER  69          HB3       SER  69  -3.388   6.454   1.175
  546    HG   SER  69           HG       SER  69  -3.666   6.551  -1.046
  547    H    ASN  70           H        ASN  70  -0.977   2.770   2.408
  548    HA   ASN  70           HA       ASN  70  -2.948   2.343   4.479
  549   1HB   ASN  70          HB2       ASN  70  -1.483   0.522   3.698
  550   2HB   ASN  70          HB3       ASN  70  -0.052   1.420   4.223
  551   1HD2  ASN  70          HD22      ASN  70   0.709   0.921   6.280
  552   2HD2  ASN  70          HD21      ASN  70  -0.273   0.300   7.578
  553    H    SER  71           H        SER  71  -2.859   2.921   6.681
  554    HA   SER  71           HA       SER  71  -1.955   5.486   7.258
  555   1HB   SER  71          HB2       SER  71  -2.676   3.325   9.270
  556   2HB   SER  71          HB3       SER  71  -2.908   5.076   9.426
  557    HG   SER  71           HG       SER  71  -4.844   3.991   8.851
  558    H    THR  72           H        THR  72  -0.094   2.545   7.492
  559    HA   THR  72           HA       THR  72   1.970   3.845   9.188
  560    HB   THR  72           HB       THR  72   2.181   1.481  10.201
  561    HG1  THR  72           HG1      THR  72   0.359   0.205  10.096
  562   1HG2  THR  72          HG21      THR  72   1.215   3.427  11.431
  563   2HG2  THR  72          HG22      THR  72  -0.397   2.996  10.816
  564   3HG2  THR  72          HG23      THR  72   0.478   1.886  11.890
  565    H    GLN  73           H        GLN  73   4.079   2.664   9.055
  566    HA   GLN  73           HA       GLN  73   4.894   2.167   6.333
  567   1HB   GLN  73          HB2       GLN  73   6.281   1.596   8.995
  568   2HB   GLN  73          HB3       GLN  73   7.020   1.403   7.404
  569   1HG   GLN  73          HG2       GLN  73   6.680   3.824   6.940
  570   2HG   GLN  73          HG3       GLN  73   5.995   4.036   8.555
  571   1HE2  GLN  73          HE22      GLN  73   7.426   3.706  10.446
  572   2HE2  GLN  73          HE21      GLN  73   9.155   3.855  10.265
  Start of MODEL   13
    1   1H    THR   2          H1        THR   2   3.517  -0.991   1.036
    2   2H    THR   2          H2        THR   2   2.453  -2.216   0.762
    3   3H    THR   2          H3        THR   2   3.968  -2.551   1.306
    4    HA   THR   2           HA       THR   2   3.486  -1.286  -1.286
    5    HB   THR   2           HB       THR   2   5.840  -2.409  -1.619
    6    HG1  THR   2           HG1      THR   2   7.006  -2.663   0.234
    7   1HG2  THR   2          HG21      THR   2   5.568   0.049   0.169
    8   2HG2  THR   2          HG22      THR   2   6.999  -0.423  -0.768
    9   3HG2  THR   2          HG23      THR   2   5.518   0.028  -1.614
   10    H    VAL   3           H        VAL   3   3.886  -2.769  -3.171
   11    HA   VAL   3           HA       VAL   3   3.392  -5.634  -2.633
   12    HB   VAL   3           HB       VAL   3   1.959  -4.028  -4.787
   13   1HG1  VAL   3          HG11      VAL   3   0.765  -6.097  -5.295
   14   2HG1  VAL   3          HG12      VAL   3   2.489  -6.321  -5.511
   15   3HG1  VAL   3          HG13      VAL   3   1.705  -6.971  -4.054
   16   1HG2  VAL   3          HG21      VAL   3   0.799  -5.279  -2.266
   17   2HG2  VAL   3          HG22      VAL   3   0.855  -3.554  -2.664
   18   3HG2  VAL   3          HG23      VAL   3  -0.159  -4.629  -3.621
   19    H    SER   4           H        SER   4   4.674  -6.877  -4.054
   20    HA   SER   4           HA       SER   4   6.590  -5.423  -5.805
   21   1HB   SER   4          HB2       SER   4   7.236  -7.445  -3.619
   22   2HB   SER   4          HB3       SER   4   8.402  -6.606  -4.648
   23    HG   SER   4           HG       SER   4   8.127  -5.672  -2.529
   24    H    ILE   5           H        ILE   5   7.777  -6.787  -7.223
   25    HA   ILE   5           HA       ILE   5   6.245  -9.000  -8.360
   26    HB   ILE   5           HB       ILE   5   9.011  -7.881  -9.047
   27   1HG1  ILE   5          HG12      ILE   5   7.590  -7.094 -11.147
   28   2HG1  ILE   5          HG13      ILE   5   6.222  -7.189 -10.057
   29   1HG2  ILE   5          HG21      ILE   5   8.729  -9.049 -11.197
   30   2HG2  ILE   5          HG22      ILE   5   8.684 -10.190  -9.874
   31   3HG2  ILE   5          HG23      ILE   5   7.167  -9.703 -10.662
   32   1HD1  ILE   5          HD11      ILE   5   8.730  -5.500  -9.603
   33   2HD1  ILE   5          HD12      ILE   5   7.214  -4.908 -10.311
   34   3HD1  ILE   5          HD13      ILE   5   7.247  -5.444  -8.633
   35    H    GLN   6           H        GLN   6   7.010 -11.242  -8.323
   36    HA   GLN   6           HA       GLN   6   8.519 -11.819  -5.816
   37   1HB   GLN   6          HB2       GLN   6   6.603 -13.693  -7.228
   38   2HB   GLN   6          HB3       GLN   6   7.225 -13.772  -5.589
   39   1HG   GLN   6          HG2       GLN   6   5.140 -13.010  -5.117
   40   2HG   GLN   6          HG3       GLN   6   5.948 -11.457  -5.286
   41   1HE2  GLN   6          HE22      GLN   6   4.717 -10.000  -6.556
   42   2HE2  GLN   6          HE21      GLN   6   3.644 -10.524  -7.841
   43    H    MET   7           H        MET   7   9.366 -11.654  -8.951
   44    HA   MET   7           HA       MET   7  11.208 -13.918  -8.932
   45   1HB   MET   7          HB2       MET   7  10.321 -14.810 -11.057
   46   2HB   MET   7          HB3       MET   7   9.177 -15.009  -9.740
   47   1HG   MET   7          HG2       MET   7   9.032 -12.795 -11.812
   48   2HG   MET   7          HG3       MET   7   8.198 -14.334 -11.948
   49   1HE   MET   7          HE1       MET   7   5.983 -14.968 -10.799
   50   2HE   MET   7          HE2       MET   7   4.852 -13.633 -10.476
   51   3HE   MET   7          HE3       MET   7   5.657 -13.743 -12.054
   52    H    ALA   8           H        ALA   8  12.673 -13.767 -10.838
   53    HA   ALA   8           HA       ALA   8  13.244 -10.981 -11.586
   54   1HB   ALA   8          HB1       ALA   8  15.234 -11.948 -12.613
   55   2HB   ALA   8          HB2       ALA   8  15.056 -12.512 -10.933
   56   3HB   ALA   8          HB3       ALA   8  14.633 -13.590 -12.290
   57    H    GLY   9           H        GLY   9  12.879 -10.049 -13.570
   58   1HA   GLY   9          HA2       GLY   9  12.629 -11.382 -16.018
   59   2HA   GLY   9          HA3       GLY   9  11.000 -11.316 -15.352
   60    H    ASN  10           H        ASN  10  10.257  -9.896 -16.979
   61    HA   ASN  10           HA       ASN  10  11.106  -7.047 -16.653
   62   1HB   ASN  10          HB2       ASN  10  10.876  -8.653 -19.205
   63   2HB   ASN  10          HB3       ASN  10  10.340  -6.978 -19.196
   64   1HD2  ASN  10          HD21      ASN  10  13.162  -7.986 -17.174
   65   2HD2  ASN  10          HD22      ASN  10  14.330  -7.191 -18.208
   66    H    LEU  11           H        LEU  11   9.401  -5.634 -16.653
   67    HA   LEU  11           HA       LEU  11   6.941  -6.854 -15.761
   68   1HB   LEU  11          HB2       LEU  11   8.237  -4.985 -14.661
   69   2HB   LEU  11          HB3       LEU  11   7.658  -3.915 -15.931
   70    HG   LEU  11           HG       LEU  11   5.294  -4.452 -15.236
   71   1HD1  LEU  11          HD11      LEU  11   6.683  -6.043 -13.030
   72   2HD1  LEU  11          HD12      LEU  11   5.002  -5.498 -12.937
   73   3HD1  LEU  11          HD13      LEU  11   5.477  -6.642 -14.185
   74   1HD2  LEU  11          HD21      LEU  11   7.160  -3.488 -13.019
   75   2HD2  LEU  11          HD22      LEU  11   6.534  -2.504 -14.366
   76   3HD2  LEU  11          HD23      LEU  11   5.428  -3.133 -13.146
   77    H    TRP  12           H        TRP  12   6.286  -7.751 -17.774
   78    HA   TRP  12           HA       TRP  12   5.992  -6.836 -20.240
   79   1HB   TRP  12          HB2       TRP  12   5.253  -9.049 -19.147
   80   2HB   TRP  12          HB3       TRP  12   3.703  -8.280 -18.872
   81    HD1  TRP  12           HD1      TRP  12   6.076  -9.049 -21.754
   82    HE1  TRP  12           HE1      TRP  12   4.782  -9.759 -23.840
   83    HE3  TRP  12           HE3      TRP  12   1.338  -8.361 -19.990
   84    HZ2  TRP  12           HZ2      TRP  12   1.999 -10.043 -24.625
   85    HZ3  TRP  12           HZ3      TRP  12  -0.622  -8.921 -21.397
   86    HH2  TRP  12           HH2      TRP  12  -0.306  -9.753 -23.718
   87    H    LYS  13           H        LYS  13   3.360  -6.258 -17.824
   88    HA   LYS  13           HA       LYS  13   2.679  -3.710 -19.106
   89   1HB   LYS  13          HB2       LYS  13   0.716  -6.038 -18.877
   90   2HB   LYS  13          HB3       LYS  13   0.215  -4.354 -19.070
   91   1HG   LYS  13          HG2       LYS  13   1.517  -4.238 -21.210
   92   2HG   LYS  13          HG3       LYS  13   1.848  -5.973 -21.059
   93   1HD   LYS  13          HD2       LYS  13  -0.636  -6.383 -20.980
   94   2HD   LYS  13          HD3       LYS  13  -0.901  -4.672 -21.318
   95   1HE   LYS  13          HE2       LYS  13   0.648  -6.616 -23.099
   96   2HE   LYS  13          HE3       LYS  13  -1.042  -6.167 -23.332
   97   1HZ   LYS  13          HZ1       LYS  13   0.383  -4.865 -24.750
   98   2HZ   LYS  13          HZ2       LYS  13  -0.329  -3.872 -23.675
   99   3HZ   LYS  13          HZ3       LYS  13   1.244  -4.291 -23.495
  100    H    VAL  14           H        VAL  14   1.186  -2.469 -17.694
  101    HA   VAL  14           HA       VAL  14   0.970  -3.413 -14.888
  102    HB   VAL  14           HB       VAL  14   2.149  -0.712 -15.703
  103   1HG1  VAL  14          HG11      VAL  14   2.536  -0.423 -13.237
  104   2HG1  VAL  14          HG12      VAL  14   0.824  -0.459 -13.650
  105   3HG1  VAL  14          HG13      VAL  14   1.594  -1.895 -12.933
  106   1HG2  VAL  14          HG21      VAL  14   4.176  -1.521 -14.487
  107   2HG2  VAL  14          HG22      VAL  14   3.405  -3.125 -14.340
  108   3HG2  VAL  14          HG23      VAL  14   3.843  -2.469 -15.933
  109    H    HIS  15           H        HIS  15  -0.923  -2.678 -13.935
  110    HA   HIS  15           HA       HIS  15  -2.821  -1.324 -15.803
  111   1HB   HIS  15          HB2       HIS  15  -3.586  -3.276 -13.641
  112   2HB   HIS  15          HB3       HIS  15  -4.475  -2.829 -15.090
  113    HD1  HIS  15           HD1      HIS  15  -2.114  -3.548 -17.244
  114    HD2  HIS  15           HD2      HIS  15  -3.306  -5.827 -13.914
  115    HE1  HIS  15           HE1      HIS  15  -1.201  -5.909 -17.610
  116    H    VAL  16           H        VAL  16  -1.433  -1.232 -12.579
  117    HA   VAL  16           HA       VAL  16  -3.517   0.452 -11.444
  118    HB   VAL  16           HB       VAL  16  -1.829   0.786  -9.622
  119   1HG1  VAL  16          HG11      VAL  16  -3.550  -0.915  -9.460
  120   2HG1  VAL  16          HG12      VAL  16  -2.566  -2.061 -10.382
  121   3HG1  VAL  16          HG13      VAL  16  -2.041  -1.532  -8.763
  122   1HG2  VAL  16          HG21      VAL  16  -0.166  -1.375 -10.963
  123   2HG2  VAL  16          HG22      VAL  16   0.248   0.357 -10.980
  124   3HG2  VAL  16          HG23      VAL  16   0.142  -0.507  -9.442
  125    H    LYS  17           H        LYS  17  -3.124   2.589 -10.633
  126    HA   LYS  17           HA       LYS  17  -0.975   4.199 -11.680
  127   1HB   LYS  17          HB2       LYS  17  -2.460   5.967 -12.568
  128   2HB   LYS  17          HB3       LYS  17  -2.562   4.490 -13.523
  129   1HG   LYS  17          HG2       LYS  17  -4.708   3.902 -12.430
  130   2HG   LYS  17          HG3       LYS  17  -4.607   5.359 -11.422
  131   1HD   LYS  17          HD2       LYS  17  -4.664   6.771 -13.458
  132   2HD   LYS  17          HD3       LYS  17  -4.769   5.310 -14.466
  133   1HE   LYS  17          HE2       LYS  17  -6.886   4.681 -13.321
  134   2HE   LYS  17          HE3       LYS  17  -6.781   6.136 -12.321
  135   1HZ   LYS  17          HZ1       LYS  17  -8.254   6.459 -14.203
  136   2HZ   LYS  17          HZ2       LYS  17  -6.978   7.460 -14.346
  137   3HZ   LYS  17          HZ3       LYS  17  -7.074   6.114 -15.271
  138    H    ALA  18           H        ALA  18  -0.915   6.231 -10.337
  139    HA   ALA  18           HA       ALA  18  -1.674   5.860  -7.625
  140   1HB   ALA  18          HB1       ALA  18  -1.139   8.253  -7.361
  141   2HB   ALA  18          HB2       ALA  18   0.106   7.421  -8.312
  142   3HB   ALA  18          HB3       ALA  18  -1.097   8.454  -9.124
  143    H    GLY  19           H        GLY  19  -3.559   6.200  -6.558
  144   1HA   GLY  19          HA2       GLY  19  -5.625   7.165  -6.090
  145   2HA   GLY  19          HA3       GLY  19  -5.735   7.819  -7.729
  146    H    ASP  20           H        ASP  20  -4.803   4.712  -8.375
  147    HA   ASP  20           HA       ASP  20  -7.489   3.711  -8.862
  148   1HB   ASP  20          HB2       ASP  20  -5.424   3.140 -10.238
  149   2HB   ASP  20          HB3       ASP  20  -4.861   2.180  -8.869
  150    H    GLN  21           H        GLN  21  -8.067   1.467  -7.945
  151    HA   GLN  21           HA       GLN  21  -7.241   1.171  -5.094
  152   1HB   GLN  21          HB2       GLN  21  -9.493   2.197  -5.212
  153   2HB   GLN  21          HB3       GLN  21 -10.059   0.854  -6.218
  154   1HG   GLN  21          HG2       GLN  21  -9.617  -0.738  -4.390
  155   2HG   GLN  21          HG3       GLN  21  -8.960   0.547  -3.381
  156   1HE2  GLN  21          HE22      GLN  21 -11.044  -1.128  -2.511
  157   2HE2  GLN  21          HE21      GLN  21 -12.506  -0.187  -2.360
  158    H    ILE  22           H        ILE  22  -6.892  -0.930  -4.466
  159    HA   ILE  22           HA       ILE  22  -7.369  -3.072  -6.443
  160    HB   ILE  22           HB       ILE  22  -5.196  -3.976  -6.223
  161   1HG1  ILE  22          HG12      ILE  22  -4.547  -1.785  -4.203
  162   2HG1  ILE  22          HG13      ILE  22  -4.691  -3.518  -3.887
  163   1HG2  ILE  22          HG21      ILE  22  -3.846  -2.309  -7.360
  164   2HG2  ILE  22          HG22      ILE  22  -5.515  -2.121  -7.880
  165   3HG2  ILE  22          HG23      ILE  22  -4.817  -0.992  -6.704
  166   1HD1  ILE  22          HD11      ILE  22  -2.520  -2.098  -5.461
  167   2HD1  ILE  22          HD12      ILE  22  -2.370  -3.101  -3.999
  168   3HD1  ILE  22          HD13      ILE  22  -2.753  -3.852  -5.548
  169    H    GLU  23           H        GLU  23  -7.203  -5.233  -5.445
  170    HA   GLU  23           HA       GLU  23  -8.006  -5.325  -2.613
  171   1HB   GLU  23          HB2       GLU  23 -10.037  -5.114  -3.999
  172   2HB   GLU  23          HB3       GLU  23  -9.519  -6.498  -4.984
  173   1HG   GLU  23          HG2       GLU  23  -9.673  -7.968  -2.994
  174   2HG   GLU  23          HG3       GLU  23 -10.092  -6.582  -1.984
  175    H    LYS  24           H        LYS  24  -7.288  -7.333  -1.673
  176    HA   LYS  24           HA       LYS  24  -5.022  -8.576  -2.652
  177   1HB   LYS  24          HB2       LYS  24  -5.900  -8.838  -0.358
  178   2HB   LYS  24          HB3       LYS  24  -7.217  -9.847  -0.966
  179   1HG   LYS  24          HG2       LYS  24  -5.522 -11.499  -1.812
  180   2HG   LYS  24          HG3       LYS  24  -4.237 -10.530  -1.107
  181   1HD   LYS  24          HD2       LYS  24  -6.571 -11.802   0.400
  182   2HD   LYS  24          HD3       LYS  24  -4.975 -12.520   0.272
  183   1HE   LYS  24          HE2       LYS  24  -5.497  -9.803   1.565
  184   2HE   LYS  24          HE3       LYS  24  -5.521 -11.328   2.448
  185   1HZ   LYS  24          HZ1       LYS  24  -3.374 -10.290   2.625
  186   2HZ   LYS  24          HZ2       LYS  24  -3.217 -11.689   1.810
  187   3HZ   LYS  24          HZ3       LYS  24  -3.159 -10.260   1.005
  188    H    GLY  25           H        GLY  25  -4.559  -9.825  -4.382
  189   1HA   GLY  25          HA2       GLY  25  -4.766 -11.687  -5.752
  190   2HA   GLY  25          HA3       GLY  25  -6.464 -11.867  -5.311
  191    H    GLN  26           H        GLN  26  -6.382  -8.641  -6.086
  192    HA   GLN  26           HA       GLN  26  -7.404  -8.917  -8.764
  193   1HB   GLN  26          HB2       GLN  26  -7.860  -7.061  -7.087
  194   2HB   GLN  26          HB3       GLN  26  -6.201  -6.481  -7.360
  195   1HG   GLN  26          HG2       GLN  26  -6.747  -6.058  -9.729
  196   2HG   GLN  26          HG3       GLN  26  -8.376  -6.700  -9.494
  197   1HE2  GLN  26          HE22      GLN  26  -6.654  -3.819  -9.643
  198   2HE2  GLN  26          HE21      GLN  26  -7.699  -2.805  -8.664
  199    H    GLU  27           H        GLU  27  -6.189  -8.899 -10.708
  200    HA   GLU  27           HA       GLU  27  -3.267  -8.963 -10.478
  201   1HB   GLU  27          HB2       GLU  27  -3.158  -9.497 -12.752
  202   2HB   GLU  27          HB3       GLU  27  -4.449 -10.455 -12.037
  203   1HG   GLU  27          HG2       GLU  27  -6.067  -8.666 -12.957
  204   2HG   GLU  27          HG3       GLU  27  -4.677  -8.049 -13.867
  205    H    VAL  28           H        VAL  28  -1.891  -7.368 -10.952
  206    HA   VAL  28           HA       VAL  28  -2.973  -4.653 -11.529
  207    HB   VAL  28           HB       VAL  28  -1.347  -3.879  -9.739
  208   1HG1  VAL  28          HG11      VAL  28  -2.905  -4.324  -7.897
  209   2HG1  VAL  28          HG12      VAL  28  -3.804  -3.956  -9.382
  210   3HG1  VAL  28          HG13      VAL  28  -3.674  -5.629  -8.810
  211   1HG2  VAL  28          HG21      VAL  28  -1.480  -6.747  -8.765
  212   2HG2  VAL  28          HG22      VAL  28  -0.037  -6.012  -9.500
  213   3HG2  VAL  28          HG23      VAL  28  -0.681  -5.383  -7.972
  214    H    ALA  29           H        ALA  29  -0.463  -7.048 -12.100
  215    HA   ALA  29           HA       ALA  29   0.380  -5.449 -14.362
  216   1HB   ALA  29          HB1       ALA  29   2.815  -5.541 -13.802
  217   2HB   ALA  29          HB2       ALA  29   1.924  -4.515 -12.676
  218   3HB   ALA  29          HB3       ALA  29   2.423  -6.143 -12.186
  219    H    ILE  30           H        ILE  30   2.281  -6.832 -15.448
  220    HA   ILE  30           HA       ILE  30   1.858  -9.731 -15.054
  221    HB   ILE  30           HB       ILE  30   1.595  -8.244 -17.699
  222   1HG1  ILE  30          HG12      ILE  30  -0.322 -10.179 -16.318
  223   2HG1  ILE  30          HG13      ILE  30  -0.472  -8.428 -16.283
  224   1HG2  ILE  30          HG21      ILE  30   3.004 -10.267 -18.060
  225   2HG2  ILE  30          HG22      ILE  30   1.779 -11.261 -17.238
  226   3HG2  ILE  30          HG23      ILE  30   1.436 -10.483 -18.793
  227   1HD1  ILE  30          HD11      ILE  30  -0.733  -8.379 -18.751
  228   2HD1  ILE  30          HD12      ILE  30  -0.754 -10.164 -18.753
  229   3HD1  ILE  30          HD13      ILE  30  -2.011  -9.262 -17.899
  230    H    LEU  31           H        LEU  31   3.703 -10.874 -15.508
  231    HA   LEU  31           HA       LEU  31   6.248  -9.354 -15.846
  232   1HB   LEU  31          HB2       LEU  31   5.864 -10.015 -13.579
  233   2HB   LEU  31          HB3       LEU  31   5.385 -11.657 -14.029
  234    HG   LEU  31           HG       LEU  31   7.573 -11.317 -12.883
  235   1HD1  LEU  31          HD11      LEU  31   7.061 -13.410 -14.032
  236   2HD1  LEU  31          HD12      LEU  31   7.757 -12.786 -15.536
  237   3HD1  LEU  31          HD13      LEU  31   8.784 -13.015 -14.114
  238   1HD2  LEU  31          HD21      LEU  31   8.206  -9.303 -14.297
  239   2HD2  LEU  31          HD22      LEU  31   9.469 -10.490 -13.932
  240   3HD2  LEU  31          HD23      LEU  31   8.703 -10.466 -15.541
  241    H    GLU  32           H        GLU  32   7.510 -10.132 -17.479
  242    HA   GLU  32           HA       GLU  32   6.773 -12.683 -18.831
  243   1HB   GLU  32          HB2       GLU  32   6.700 -10.692 -20.268
  244   2HB   GLU  32          HB3       GLU  32   8.348 -10.256 -19.796
  245   1HG   GLU  32          HG2       GLU  32   9.144 -12.437 -20.792
  246   2HG   GLU  32          HG3       GLU  32   7.493 -12.763 -21.312
  247    H    SER  33           H        SER  33   8.154 -14.342 -18.435
  248    HA   SER  33           HA       SER  33  10.974 -14.088 -18.271
  249   1HB   SER  33          HB2       SER  33  10.226 -13.258 -15.920
  250   2HB   SER  33          HB3       SER  33   9.708 -14.920 -15.620
  251    HG   SER  33           HG       SER  33  11.914 -14.167 -15.023
  252    H    MET  34           H        MET  34  11.860 -16.376 -17.657
  253    HA   MET  34           HA       MET  34  11.953 -18.526 -18.403
  254   1HB   MET  34          HB2       MET  34  10.566 -20.035 -17.021
  255   2HB   MET  34          HB3       MET  34  11.392 -18.767 -16.129
  256   1HG   MET  34          HG2       MET  34   9.299 -17.472 -15.977
  257   2HG   MET  34          HG3       MET  34   8.440 -18.743 -16.853
  258   1HE   MET  34          HE1       MET  34   6.690 -18.464 -14.731
  259   2HE   MET  34          HE2       MET  34   7.201 -18.667 -13.042
  260   3HE   MET  34          HE3       MET  34   7.804 -17.292 -13.990
  261    H    LYS  35           H        LYS  35  10.880 -17.097 -20.426
  262    HA   LYS  35           HA       LYS  35   9.711 -17.126 -22.338
  263   1HB   LYS  35          HB2       LYS  35   9.864 -20.146 -22.010
  264   2HB   LYS  35          HB3       LYS  35   9.532 -19.273 -23.510
  265   1HG   LYS  35          HG2       LYS  35  11.760 -18.172 -23.370
  266   2HG   LYS  35          HG3       LYS  35  12.123 -19.119 -21.912
  267   1HD   LYS  35          HD2       LYS  35  11.848 -21.219 -23.202
  268   2HD   LYS  35          HD3       LYS  35  11.495 -20.272 -24.665
  269   1HE   LYS  35          HE2       LYS  35  13.730 -19.194 -24.500
  270   2HE   LYS  35          HE3       LYS  35  14.082 -20.138 -23.047
  271   1HZ   LYS  35          HZ1       LYS  35  15.051 -21.145 -25.011
  272   2HZ   LYS  35          HZ2       LYS  35  13.927 -22.150 -24.397
  273   3HZ   LYS  35          HZ3       LYS  35  13.602 -21.276 -25.741
  274    H    MET  36           H        MET  36   8.066 -16.816 -19.970
  275    HA   MET  36           HA       MET  36   5.422 -17.535 -21.077
  276   1HB   MET  36          HB2       MET  36   6.488 -18.116 -18.271
  277   2HB   MET  36          HB3       MET  36   4.768 -18.068 -18.642
  278   1HG   MET  36          HG2       MET  36   6.748 -19.971 -19.934
  279   2HG   MET  36          HG3       MET  36   5.691 -20.353 -18.581
  280   1HE   MET  36          HE1       MET  36   4.216 -22.440 -21.566
  281   2HE   MET  36          HE2       MET  36   5.925 -22.030 -21.306
  282   3HE   MET  36          HE3       MET  36   4.903 -22.500 -19.928
  283    H    GLU  37           H        GLU  37   3.729 -16.322 -19.743
  284    HA   GLU  37           HA       GLU  37   4.726 -13.773 -18.629
  285   1HB   GLU  37          HB2       GLU  37   2.203 -14.072 -20.311
  286   2HB   GLU  37          HB3       GLU  37   2.731 -12.642 -19.438
  287   1HG   GLU  37          HG2       GLU  37   3.365 -12.144 -21.598
  288   2HG   GLU  37          HG3       GLU  37   4.868 -12.695 -20.873
  289    H    ILE  38           H        ILE  38   3.762 -13.297 -16.673
  290    HA   ILE  38           HA       ILE  38   1.828 -15.250 -15.530
  291    HB   ILE  38           HB       ILE  38   4.425 -14.228 -14.272
  292   1HG1  ILE  38          HG12      ILE  38   4.794 -16.912 -14.302
  293   2HG1  ILE  38          HG13      ILE  38   3.831 -16.783 -15.760
  294   1HG2  ILE  38          HG21      ILE  38   3.938 -15.852 -12.473
  295   2HG2  ILE  38          HG22      ILE  38   2.685 -14.630 -12.596
  296   3HG2  ILE  38          HG23      ILE  38   2.394 -16.260 -13.253
  297   1HD1  ILE  38          HD11      ILE  38   6.483 -15.395 -15.140
  298   2HD1  ILE  38          HD12      ILE  38   6.213 -16.707 -16.296
  299   3HD1  ILE  38          HD13      ILE  38   5.562 -15.098 -16.623
  300    HA   PRO  39           HA       PRO  39   0.193 -11.187 -14.324
  301   1HB   PRO  39          HB2       PRO  39  -1.808 -11.940 -12.606
  302   2HB   PRO  39          HB3       PRO  39  -1.940 -12.029 -14.391
  303   1HG   PRO  39          HG2       PRO  39  -1.266 -14.242 -12.446
  304   2HG   PRO  39          HG3       PRO  39  -2.387 -14.285 -13.842
  305   1HD   PRO  39          HD2       PRO  39   0.190 -15.247 -13.960
  306   2HD   PRO  39          HD3       PRO  39  -0.606 -14.496 -15.376
  307    H    ILE  40           H        ILE  40   0.417  -9.831 -12.592
  308    HA   ILE  40           HA       ILE  40   1.713 -10.831 -10.101
  309    HB   ILE  40           HB       ILE  40   2.059  -8.228 -11.629
  310   1HG1  ILE  40          HG12      ILE  40   3.332  -9.987 -12.696
  311   2HG1  ILE  40          HG13      ILE  40   4.386  -8.805 -11.942
  312   1HG2  ILE  40          HG21      ILE  40   3.216  -9.021  -8.934
  313   2HG2  ILE  40          HG22      ILE  40   3.780  -7.647  -9.901
  314   3HG2  ILE  40          HG23      ILE  40   2.122  -7.678  -9.287
  315   1HD1  ILE  40          HD11      ILE  40   5.213 -11.087 -11.587
  316   2HD1  ILE  40          HD12      ILE  40   4.799 -10.351 -10.038
  317   3HD1  ILE  40          HD13      ILE  40   3.713 -11.549 -10.783
  318    H    VAL  41           H        VAL  41   0.450 -10.520  -8.407
  319    HA   VAL  41           HA       VAL  41  -2.066  -9.014  -8.759
  320    HB   VAL  41           HB       VAL  41  -2.941 -10.679  -7.058
  321   1HG1  VAL  41          HG11      VAL  41  -3.561 -10.886  -9.378
  322   2HG1  VAL  41          HG12      VAL  41  -2.051 -11.750  -9.765
  323   3HG1  VAL  41          HG13      VAL  41  -3.278 -12.485  -8.706
  324   1HG2  VAL  41          HG21      VAL  41  -0.481 -12.327  -7.799
  325   2HG2  VAL  41          HG22      VAL  41  -0.726 -11.522  -6.227
  326   3HG2  VAL  41          HG23      VAL  41  -1.826 -12.801  -6.751
  327    H    ALA  42           H        ALA  42  -3.036  -8.085  -6.943
  328    HA   ALA  42           HA       ALA  42  -1.359  -6.548  -5.219
  329   1HB   ALA  42          HB1       ALA  42  -3.522  -5.923  -4.196
  330   2HB   ALA  42          HB2       ALA  42  -3.644  -5.898  -5.976
  331   3HB   ALA  42          HB3       ALA  42  -4.305  -7.257  -5.063
  332    H    ASP  43           H        ASP  43  -0.266  -7.360  -3.479
  333    HA   ASP  43           HA       ASP  43  -0.846  -9.868  -2.194
  334   1HB   ASP  43          HB2       ASP  43   1.384  -8.903  -2.061
  335   2HB   ASP  43          HB3       ASP  43   0.755  -7.415  -1.354
  336    H    ARG  44           H        ARG  44  -2.065  -6.571  -1.734
  337    HA   ARG  44           HA       ARG  44  -4.046  -7.502   0.170
  338   1HB   ARG  44          HB2       ARG  44  -3.381  -6.048   1.997
  339   2HB   ARG  44          HB3       ARG  44  -2.071  -7.152   1.604
  340   1HG   ARG  44          HG2       ARG  44  -1.275  -5.034   0.089
  341   2HG   ARG  44          HG3       ARG  44  -2.231  -4.167   1.290
  342   1HD   ARG  44          HD2       ARG  44   0.211  -5.926   1.704
  343   2HD   ARG  44          HD3       ARG  44   0.059  -4.210   2.020
  344    HE   ARG  44           HE       ARG  44  -1.330  -4.660   3.927
  345   1HH1  ARG  44          HH11      ARG  44   0.163  -7.652   2.584
  346   2HH1  ARG  44          HH12      ARG  44   0.094  -8.472   4.102
  347   1HH2  ARG  44          HH21      ARG  44  -1.446  -5.834   5.887
  348   2HH2  ARG  44          HH22      ARG  44  -0.866  -7.450   5.982
  349    H    SER  45           H        SER  45  -5.690  -5.873   0.526
  350    HA   SER  45           HA       SER  45  -6.196  -4.308  -1.795
  351   1HB   SER  45          HB2       SER  45  -7.625  -4.217   0.892
  352   2HB   SER  45          HB3       SER  45  -8.311  -3.902  -0.710
  353    HG   SER  45           HG       SER  45  -8.745  -6.039   0.210
  354    H    GLY  46           H        GLY  46  -6.552  -1.960  -1.893
  355   1HA   GLY  46          HA2       GLY  46  -6.330  -0.117   0.126
  356   2HA   GLY  46          HA3       GLY  46  -4.649  -0.374  -0.357
  357    H    ILE  47           H        ILE  47  -5.276   2.085  -0.729
  358    HA   ILE  47           HA       ILE  47  -6.152   2.509  -3.544
  359    HB   ILE  47           HB       ILE  47  -5.411   4.471  -1.328
  360   1HG1  ILE  47          HG12      ILE  47  -7.579   3.447  -0.849
  361   2HG1  ILE  47          HG13      ILE  47  -7.749   5.140  -1.267
  362   1HG2  ILE  47          HG21      ILE  47  -6.356   5.005  -4.172
  363   2HG2  ILE  47          HG22      ILE  47  -6.306   6.225  -2.881
  364   3HG2  ILE  47          HG23      ILE  47  -4.812   5.471  -3.435
  365   1HD1  ILE  47          HD11      ILE  47  -9.531   3.782  -2.277
  366   2HD1  ILE  47          HD12      ILE  47  -8.539   4.526  -3.541
  367   3HD1  ILE  47          HD13      ILE  47  -8.331   2.807  -3.139
  368    H    VAL  48           H        VAL  48  -4.593   2.901  -5.060
  369    HA   VAL  48           HA       VAL  48  -1.797   2.333  -4.499
  370    HB   VAL  48           HB       VAL  48  -3.178   3.416  -6.964
  371   1HG1  VAL  48          HG11      VAL  48  -0.427   2.118  -6.600
  372   2HG1  VAL  48          HG12      VAL  48  -1.165   2.591  -8.148
  373   3HG1  VAL  48          HG13      VAL  48  -0.715   3.828  -6.973
  374   1HG2  VAL  48          HG21      VAL  48  -3.032   1.086  -7.781
  375   2HG2  VAL  48          HG22      VAL  48  -2.411   0.559  -6.197
  376   3HG2  VAL  48          HG23      VAL  48  -4.061   1.200  -6.363
  377    H    LYS  49           H        LYS  49  -0.648   3.772  -3.341
  378    HA   LYS  49           HA       LYS  49  -1.301   6.644  -3.397
  379   1HB   LYS  49          HB2       LYS  49  -0.691   5.466  -1.290
  380   2HB   LYS  49          HB3       LYS  49   0.910   5.110  -1.967
  381   1HG   LYS  49          HG2       LYS  49   1.366   7.557  -2.112
  382   2HG   LYS  49          HG3       LYS  49  -0.262   7.897  -1.510
  383   1HD   LYS  49          HD2       LYS  49   1.374   8.151   0.275
  384   2HD   LYS  49          HD3       LYS  49   0.291   6.795   0.644
  385   1HE   LYS  49          HE2       LYS  49   1.976   5.180  -0.087
  386   2HE   LYS  49          HE3       LYS  49   3.024   6.481  -0.676
  387   1HZ   LYS  49          HZ1       LYS  49   3.797   5.680   1.394
  388   2HZ   LYS  49          HZ2       LYS  49   3.273   7.215   1.630
  389   3HZ   LYS  49          HZ3       LYS  49   2.358   5.952   2.155
  390    H    GLU  50           H        GLU  50   1.282   4.354  -4.529
  391    HA   GLU  50           HA       GLU  50   1.939   6.256  -6.659
  392   1HB   GLU  50          HB2       GLU  50   3.309   6.984  -4.644
  393   2HB   GLU  50          HB3       GLU  50   4.098   5.403  -4.664
  394   1HG   GLU  50          HG2       GLU  50   5.069   5.853  -6.843
  395   2HG   GLU  50          HG3       GLU  50   4.082   7.308  -7.043
  396    H    VAL  51           H        VAL  51   3.258   5.182  -8.335
  397    HA   VAL  51           HA       VAL  51   3.443   2.215  -8.062
  398    HB   VAL  51           HB       VAL  51   2.959   3.810 -10.615
  399   1HG1  VAL  51          HG11      VAL  51   2.509   1.581 -11.612
  400   2HG1  VAL  51          HG12      VAL  51   4.164   1.688 -11.016
  401   3HG1  VAL  51          HG13      VAL  51   2.943   0.798 -10.079
  402   1HG2  VAL  51          HG21      VAL  51   0.701   2.764 -10.611
  403   2HG2  VAL  51          HG22      VAL  51   1.022   2.108  -8.990
  404   3HG2  VAL  51          HG23      VAL  51   0.913   3.864  -9.250
  405    H    LYS  52           H        LYS  52   5.456   1.384  -8.471
  406    HA   LYS  52           HA       LYS  52   7.629   3.415  -8.469
  407   1HB   LYS  52          HB2       LYS  52   7.605   0.476  -7.670
  408   2HB   LYS  52          HB3       LYS  52   8.938   1.600  -7.418
  409   1HG   LYS  52          HG2       LYS  52   6.211   1.685  -6.060
  410   2HG   LYS  52          HG3       LYS  52   7.752   1.198  -5.360
  411   1HD   LYS  52          HD2       LYS  52   8.629   3.512  -5.690
  412   2HD   LYS  52          HD3       LYS  52   7.005   4.014  -6.246
  413   1HE   LYS  52          HE2       LYS  52   6.008   3.384  -4.155
  414   2HE   LYS  52          HE3       LYS  52   7.507   2.643  -3.578
  415   1HZ   LYS  52          HZ1       LYS  52   8.500   4.819  -3.475
  416   2HZ   LYS  52          HZ2       LYS  52   7.163   5.538  -4.118
  417   3HZ   LYS  52          HZ3       LYS  52   7.080   4.814  -2.639
  418    H    LYS  53           H        LYS  53   6.212   1.494 -10.820
  419    HA   LYS  53           HA       LYS  53   8.761   1.068 -12.289
  420   1HB   LYS  53          HB2       LYS  53   6.577  -0.980 -11.671
  421   2HB   LYS  53          HB3       LYS  53   7.790  -1.207 -12.926
  422   1HG   LYS  53          HG2       LYS  53   8.532  -0.809 -10.012
  423   2HG   LYS  53          HG3       LYS  53   8.269  -2.389 -10.766
  424   1HD   LYS  53          HD2       LYS  53  10.015  -1.907 -12.441
  425   2HD   LYS  53          HD3       LYS  53  10.323  -0.329 -11.685
  426   1HE   LYS  53          HE2       LYS  53  11.073  -1.388  -9.627
  427   2HE   LYS  53          HE3       LYS  53  10.620  -2.981 -10.213
  428   1HZ   LYS  53          HZ1       LYS  53  12.760  -1.266 -11.323
  429   2HZ   LYS  53          HZ2       LYS  53  12.904  -2.727 -10.539
  430   3HZ   LYS  53          HZ3       LYS  53  12.261  -2.649 -12.043
  431    H    LYS  54           H        LYS  54   8.002   0.049 -14.567
  432    HA   LYS  54           HA       LYS  54   5.627   1.376 -15.601
  433   1HB   LYS  54          HB2       LYS  54   6.783   2.494 -17.422
  434   2HB   LYS  54          HB3       LYS  54   7.335   3.149 -15.886
  435   1HG   LYS  54          HG2       LYS  54   9.419   1.886 -16.014
  436   2HG   LYS  54          HG3       LYS  54   8.889   1.036 -17.465
  437   1HD   LYS  54          HD2       LYS  54   9.330   4.037 -17.275
  438   2HD   LYS  54          HD3       LYS  54  10.509   2.891 -17.900
  439   1HE   LYS  54          HE2       LYS  54   7.741   3.388 -19.099
  440   2HE   LYS  54          HE3       LYS  54   9.246   4.097 -19.675
  441   1HZ   LYS  54          HZ1       LYS  54   8.596   1.196 -19.721
  442   2HZ   LYS  54          HZ2       LYS  54   8.698   2.203 -20.995
  443   3HZ   LYS  54          HZ3       LYS  54  10.044   1.842 -20.158
  444    H    GLU  55           H        GLU  55   5.265   0.606 -17.861
  445    HA   GLU  55           HA       GLU  55   5.571  -2.217 -18.023
  446   1HB   GLU  55          HB2       GLU  55   4.922  -0.280 -20.289
  447   2HB   GLU  55          HB3       GLU  55   4.552  -2.013 -20.207
  448   1HG   GLU  55          HG2       GLU  55   3.200  -1.475 -18.096
  449   2HG   GLU  55          HG3       GLU  55   3.362   0.227 -18.512
  450    H    GLY  56           H        GLY  56   7.089  -3.459 -19.000
  451   1HA   GLY  56          HA2       GLY  56   8.816  -4.085 -20.369
  452   2HA   GLY  56          HA3       GLY  56   8.998  -2.421 -20.936
  453    H    ASP  57           H        ASP  57   9.087  -2.116 -17.571
  454    HA   ASP  57           HA       ASP  57  11.972  -1.785 -17.635
  455   1HB   ASP  57          HB2       ASP  57  10.445  -0.345 -16.281
  456   2HB   ASP  57          HB3       ASP  57  10.129  -1.725 -15.222
  457    H    PHE  58           H        PHE  58  13.454  -2.850 -16.145
  458    HA   PHE  58           HA       PHE  58  13.160  -5.759 -15.997
  459   1HB   PHE  58          HB2       PHE  58  15.347  -4.678 -16.384
  460   2HB   PHE  58          HB3       PHE  58  15.195  -3.797 -14.871
  461    HD1  PHE  58           HD1      PHE  58  15.766  -7.147 -16.384
  462    HD2  PHE  58           HD2      PHE  58  15.698  -4.851 -12.730
  463    HE1  PHE  58           HE1      PHE  58  16.961  -8.975 -15.212
  464    HE2  PHE  58           HE2      PHE  58  16.907  -6.678 -11.566
  465    HZ   PHE  58           HZ       PHE  58  17.562  -8.732 -12.813
  466    H    VAL  59           H        VAL  59  12.782  -6.957 -14.089
  467    HA   VAL  59           HA       VAL  59  12.286  -5.535 -11.572
  468    HB   VAL  59           HB       VAL  59  10.123  -6.902 -11.330
  469   1HG1  VAL  59          HG11      VAL  59  10.102  -4.529 -13.230
  470   2HG1  VAL  59          HG12      VAL  59   8.747  -5.121 -12.253
  471   3HG1  VAL  59          HG13      VAL  59  10.178  -4.474 -11.451
  472   1HG2  VAL  59          HG21      VAL  59   8.822  -7.344 -13.336
  473   2HG2  VAL  59          HG22      VAL  59  10.149  -6.802 -14.373
  474   3HG2  VAL  59          HG23      VAL  59  10.337  -8.272 -13.390
  475    H    ASN  60           H        ASN  60  11.981  -7.103  -9.768
  476    HA   ASN  60           HA       ASN  60  13.282  -9.664 -10.217
  477   1HB   ASN  60          HB2       ASN  60  14.895  -7.444  -9.681
  478   2HB   ASN  60          HB3       ASN  60  14.636  -8.144  -8.083
  479   1HD2  ASN  60          HD22      ASN  60  15.389  -9.086 -11.491
  480   2HD2  ASN  60          HD21      ASN  60  16.516 -10.358 -11.062
  481    H    GLU  61           H        GLU  61  13.559 -10.858  -8.142
  482    HA   GLU  61           HA       GLU  61  11.055 -11.009  -6.773
  483   1HB   GLU  61          HB2       GLU  61  12.466 -12.916  -7.180
  484   2HB   GLU  61          HB3       GLU  61  13.808 -12.235  -6.291
  485   1HG   GLU  61          HG2       GLU  61  11.095 -12.817  -5.008
  486   2HG   GLU  61          HG3       GLU  61  12.322 -14.065  -5.186
  487    H    GLY  62           H        GLY  62  10.336  -9.490  -5.443
  488   1HA   GLY  62          HA2       GLY  62  10.258  -8.380  -3.402
  489   2HA   GLY  62          HA3       GLY  62  12.016  -8.487  -3.234
  490    H    ASP  63           H        ASP  63  11.286  -7.425  -6.436
  491    HA   ASP  63           HA       ASP  63  12.120  -4.696  -5.794
  492   1HB   ASP  63          HB2       ASP  63  12.847  -6.119  -7.814
  493   2HB   ASP  63          HB3       ASP  63  11.235  -5.836  -8.472
  494    H    VAL  64           H        VAL  64  10.651  -3.011  -5.560
  495    HA   VAL  64           HA       VAL  64   7.949  -3.770  -5.030
  496    HB   VAL  64           HB       VAL  64   9.131  -0.969  -5.170
  497   1HG1  VAL  64          HG11      VAL  64   7.333  -0.463  -3.497
  498   2HG1  VAL  64          HG12      VAL  64   6.672  -0.956  -5.055
  499   3HG1  VAL  64          HG13      VAL  64   6.700  -2.111  -3.712
  500   1HG2  VAL  64          HG21      VAL  64  10.480  -2.311  -3.605
  501   2HG2  VAL  64          HG22      VAL  64   9.443  -1.212  -2.701
  502   3HG2  VAL  64          HG23      VAL  64   9.005  -2.929  -2.831
  503    H    LEU  65           H        LEU  65   6.096  -3.458  -6.153
  504    HA   LEU  65           HA       LEU  65   6.223  -2.461  -8.950
  505   1HB   LEU  65          HB2       LEU  65   5.128  -4.658  -8.651
  506   2HB   LEU  65          HB3       LEU  65   4.088  -3.999  -7.399
  507    HG   LEU  65           HG       LEU  65   3.031  -2.477  -9.080
  508   1HD1  LEU  65          HD11      LEU  65   4.802  -3.960 -11.053
  509   2HD1  LEU  65          HD12      LEU  65   3.421  -2.925 -11.496
  510   3HD1  LEU  65          HD13      LEU  65   4.821  -2.215 -10.700
  511   1HD2  LEU  65          HD21      LEU  65   1.735  -4.189 -10.210
  512   2HD2  LEU  65          HD22      LEU  65   3.010  -5.395  -9.926
  513   3HD2  LEU  65          HD23      LEU  65   2.087  -4.730  -8.563
  514    H    LEU  66           H        LEU  66   4.392  -2.087  -5.803
  515    HA   LEU  66           HA       LEU  66   4.071   0.739  -6.424
  516   1HB   LEU  66          HB2       LEU  66   1.715   0.899  -6.415
  517   2HB   LEU  66          HB3       LEU  66   2.218  -0.115  -7.725
  518    HG   LEU  66           HG       LEU  66   0.069  -0.648  -6.609
  519   1HD1  LEU  66          HD11      LEU  66   0.346  -3.104  -6.598
  520   2HD1  LEU  66          HD12      LEU  66   1.046  -2.306  -8.004
  521   3HD1  LEU  66          HD13      LEU  66   2.106  -2.879  -6.696
  522   1HD2  LEU  66          HD21      LEU  66   1.676  -1.784  -4.308
  523   2HD2  LEU  66          HD22      LEU  66   0.703  -0.293  -4.260
  524   3HD2  LEU  66          HD23      LEU  66  -0.069  -1.862  -4.549
  525    H    GLU  67           H        GLU  67   2.780   1.896  -4.727
  526    HA   GLU  67           HA       GLU  67   3.218   0.753  -2.026
  527   1HB   GLU  67          HB2       GLU  67   5.058   2.313  -2.653
  528   2HB   GLU  67          HB3       GLU  67   3.861   3.600  -2.924
  529   1HG   GLU  67          HG2       GLU  67   3.156   3.373  -0.545
  530   2HG   GLU  67          HG3       GLU  67   4.380   2.117  -0.315
  531    H    LEU  68           H        LEU  68   1.592   1.377  -0.540
  532    HA   LEU  68           HA       LEU  68  -0.920   2.299  -1.865
  533   1HB   LEU  68          HB2       LEU  68  -0.456   0.230   0.335
  534   2HB   LEU  68          HB3       LEU  68  -2.039   0.755  -0.220
  535    HG   LEU  68           HG       LEU  68   0.003  -0.704  -1.936
  536   1HD1  LEU  68          HD11      LEU  68  -1.518  -2.612  -1.792
  537   2HD1  LEU  68          HD12      LEU  68  -0.970  -2.141  -0.176
  538   3HD1  LEU  68          HD13      LEU  68  -2.605  -1.703  -0.724
  539   1HD2  LEU  68          HD21      LEU  68  -2.864   0.190  -2.493
  540   2HD2  LEU  68          HD22      LEU  68  -1.372   0.715  -3.318
  541   3HD2  LEU  68          HD23      LEU  68  -1.941  -0.926  -3.508
  542    H    SER  69           H        SER  69  -2.571   3.075  -0.351
  543    HA   SER  69           HA       SER  69  -1.810   5.176   1.365
  544   1HB   SER  69          HB2       SER  69  -4.215   4.793   2.189
  545   2HB   SER  69          HB3       SER  69  -3.988   5.091   0.454
  546    HG   SER  69           HG       SER  69  -5.368   3.214   1.278
  547    H    ASN  70           H        ASN  70  -2.502   1.742   2.021
  548    HA   ASN  70           HA       ASN  70  -2.224   1.760   4.832
  549   1HB   ASN  70          HB2       ASN  70  -3.230  -0.078   3.499
  550   2HB   ASN  70          HB3       ASN  70  -1.643  -0.477   2.838
  551   1HD2  ASN  70          HD22      ASN  70  -0.415  -2.002   4.007
  552   2HD2  ASN  70          HD21      ASN  70  -0.755  -2.461   5.653
  553    H    SER  71           H        SER  71   0.330   2.127   2.447
  554    HA   SER  71           HA       SER  71   2.364   0.695   3.942
  555   1HB   SER  71          HB2       SER  71   2.622   2.595   1.590
  556   2HB   SER  71          HB3       SER  71   3.838   1.444   2.152
  557    HG   SER  71           HG       SER  71   1.435   0.223   1.735
  558    H    THR  72           H        THR  72   0.919   3.463   4.926
  559    HA   THR  72           HA       THR  72   3.076   5.243   5.521
  560    HB   THR  72           HB       THR  72   1.395   5.858   7.419
  561    HG1  THR  72           HG1      THR  72   0.171   3.982   7.469
  562   1HG2  THR  72          HG21      THR  72   1.576   7.128   5.317
  563   2HG2  THR  72          HG22      THR  72   0.496   5.975   4.502
  564   3HG2  THR  72          HG23      THR  72  -0.111   6.990   5.828
  565    H    GLN  73           H        GLN  73   4.130   5.531   7.601
  566    HA   GLN  73           HA       GLN  73   4.201   3.289   9.488
  567   1HB   GLN  73          HB2       GLN  73   6.654   4.389   8.032
  568   2HB   GLN  73          HB3       GLN  73   6.726   3.406   9.488
  569   1HG   GLN  73          HG2       GLN  73   5.545   2.426   6.853
  570   2HG   GLN  73          HG3       GLN  73   7.210   2.193   7.348
  571   1HE2  GLN  73          HE22      GLN  73   3.845   1.327   8.128
  572   2HE2  GLN  73          HE21      GLN  73   4.241  -0.105   9.073
  Start of MODEL   14
    1   1H    THR   2          H1        THR   2   5.902  -2.640   0.966
    2   2H    THR   2          H2        THR   2   5.729  -4.235   0.594
    3   3H    THR   2          H3        THR   2   5.978  -3.132  -0.595
    4    HA   THR   2           HA       THR   2   3.640  -3.346   1.155
    5    HB   THR   2           HB       THR   2   4.036  -1.313  -1.061
    6    HG1  THR   2           HG1      THR   2   4.437   0.111   0.574
    7   1HG2  THR   2          HG21      THR   2   2.064  -0.237   0.038
    8   2HG2  THR   2          HG22      THR   2   1.659  -1.823  -0.637
    9   3HG2  THR   2          HG23      THR   2   1.909  -1.636   1.115
   10    H    VAL   3           H        VAL   3   3.999  -2.978  -2.495
   11    HA   VAL   3           HA       VAL   3   3.113  -5.803  -2.715
   12    HB   VAL   3           HB       VAL   3   2.094  -3.511  -4.419
   13   1HG1  VAL   3          HG11      VAL   3   2.336  -5.620  -5.682
   14   2HG1  VAL   3          HG12      VAL   3   1.399  -6.478  -4.444
   15   3HG1  VAL   3          HG13      VAL   3   0.634  -5.222  -5.453
   16   1HG2  VAL   3          HG21      VAL   3   0.600  -5.139  -2.331
   17   2HG2  VAL   3          HG22      VAL   3   0.889  -3.387  -2.329
   18   3HG2  VAL   3          HG23      VAL   3  -0.179  -4.096  -3.542
   19    H    SER   4           H        SER   4   4.550  -6.871  -3.954
   20    HA   SER   4           HA       SER   4   6.569  -5.399  -5.561
   21   1HB   SER   4          HB2       SER   4   7.112  -7.491  -3.427
   22   2HB   SER   4          HB3       SER   4   8.321  -6.600  -4.364
   23    HG   SER   4           HG       SER   4   7.982  -5.739  -2.237
   24    H    ILE   5           H        ILE   5   7.862  -6.795  -6.875
   25    HA   ILE   5           HA       ILE   5   6.427  -9.107  -7.997
   26    HB   ILE   5           HB       ILE   5   9.163  -7.992  -8.743
   27   1HG1  ILE   5          HG12      ILE   5   7.701  -6.097  -8.997
   28   2HG1  ILE   5          HG13      ILE   5   8.045  -6.752 -10.579
   29   1HG2  ILE   5          HG21      ILE   5   8.614  -8.990 -10.982
   30   2HG2  ILE   5          HG22      ILE   5   8.748 -10.184  -9.706
   31   3HG2  ILE   5          HG23      ILE   5   7.144  -9.698 -10.279
   32   1HD1  ILE   5          HD11      ILE   5   5.827  -7.827 -10.672
   33   2HD1  ILE   5          HD12      ILE   5   5.453  -7.189  -9.052
   34   3HD1  ILE   5          HD13      ILE   5   5.713  -6.082 -10.404
   35    H    GLN   6           H        GLN   6   7.507 -11.196  -8.050
   36    HA   GLN   6           HA       GLN   6   9.236 -11.746  -5.688
   37   1HB   GLN   6          HB2       GLN   6   7.765 -13.554  -5.084
   38   2HB   GLN   6          HB3       GLN   6   6.871 -12.048  -5.136
   39   1HG   GLN   6          HG2       GLN   6   6.801 -14.204  -7.301
   40   2HG   GLN   6          HG3       GLN   6   5.603 -13.985  -6.035
   41   1HE2  GLN   6          HE22      GLN   6   4.189 -12.044  -6.112
   42   2HE2  GLN   6          HE21      GLN   6   4.001 -11.189  -7.622
   43    H    MET   7           H        MET   7   9.642 -11.670  -8.780
   44    HA   MET   7           HA       MET   7  11.390 -13.959  -8.903
   45   1HB   MET   7          HB2       MET   7  10.417 -14.865 -11.007
   46   2HB   MET   7          HB3       MET   7   9.341 -15.074  -9.624
   47   1HG   MET   7          HG2       MET   7   8.058 -13.067 -10.339
   48   2HG   MET   7          HG3       MET   7   9.047 -12.980 -11.799
   49   1HE   MET   7          HE1       MET   7   5.793 -13.913 -10.468
   50   2HE   MET   7          HE2       MET   7   6.022 -12.958 -11.949
   51   3HE   MET   7          HE3       MET   7   5.144 -14.495 -12.008
   52    H    ALA   8           H        ALA   8  12.808 -13.732 -10.822
   53    HA   ALA   8           HA       ALA   8  13.257 -10.931 -11.569
   54   1HB   ALA   8          HB1       ALA   8  15.226 -11.838 -12.711
   55   2HB   ALA   8          HB2       ALA   8  15.138 -12.440 -11.035
   56   3HB   ALA   8          HB3       ALA   8  14.670 -13.496 -12.394
   57    H    GLY   9           H        GLY   9  12.788  -9.970 -13.539
   58   1HA   GLY   9          HA2       GLY   9  12.506 -11.342 -15.977
   59   2HA   GLY   9          HA3       GLY   9  10.892 -11.233 -15.281
   60    H    ASN  10           H        ASN  10  10.207  -9.858 -16.988
   61    HA   ASN  10           HA       ASN  10  11.004  -6.999 -16.639
   62   1HB   ASN  10          HB2       ASN  10  10.766  -8.583 -19.213
   63   2HB   ASN  10          HB3       ASN  10  10.265  -6.896 -19.169
   64   1HD2  ASN  10          HD22      ASN  10  13.063  -7.914 -17.145
   65   2HD2  ASN  10          HD21      ASN  10  14.246  -7.157 -18.188
   66    H    LEU  11           H        LEU  11   9.250  -5.696 -16.445
   67    HA   LEU  11           HA       LEU  11   6.826  -7.062 -15.677
   68   1HB   LEU  11          HB2       LEU  11   8.072  -5.242 -14.419
   69   2HB   LEU  11          HB3       LEU  11   7.473  -4.098 -15.609
   70    HG   LEU  11           HG       LEU  11   5.111  -4.775 -14.969
   71   1HD1  LEU  11          HD11      LEU  11   5.429  -7.011 -14.028
   72   2HD1  LEU  11          HD12      LEU  11   6.575  -6.387 -12.823
   73   3HD1  LEU  11          HD13      LEU  11   4.856  -5.951 -12.745
   74   1HD2  LEU  11          HD21      LEU  11   6.289  -2.819 -14.017
   75   2HD2  LEU  11          HD22      LEU  11   5.176  -3.534 -12.848
   76   3HD2  LEU  11          HD23      LEU  11   6.918  -3.833 -12.695
   77    H    TRP  12           H        TRP  12   6.413  -7.764 -17.889
   78    HA   TRP  12           HA       TRP  12   6.027  -6.771 -20.220
   79   1HB   TRP  12          HB2       TRP  12   5.238  -9.006 -19.284
   80   2HB   TRP  12          HB3       TRP  12   3.709  -8.230 -18.919
   81    HD1  TRP  12           HD1      TRP  12   5.982  -9.004 -21.877
   82    HE1  TRP  12           HE1      TRP  12   4.621  -9.367 -24.010
   83    HE3  TRP  12           HE3      TRP  12   1.345  -7.956 -20.018
   84    HZ2  TRP  12           HZ2      TRP  12   1.835  -9.175 -24.818
   85    HZ3  TRP  12           HZ3      TRP  12  -0.656  -8.104 -21.472
   86    HH2  TRP  12           HH2      TRP  12  -0.422  -8.693 -23.875
   87    H    LYS  13           H        LYS  13   3.289  -6.254 -17.907
   88    HA   LYS  13           HA       LYS  13   2.866  -3.575 -18.987
   89   1HB   LYS  13          HB2       LYS  13   0.728  -5.748 -19.137
   90   2HB   LYS  13          HB3       LYS  13   0.340  -4.029 -19.115
   91   1HG   LYS  13          HG2       LYS  13   1.808  -3.720 -21.152
   92   2HG   LYS  13          HG3       LYS  13   1.960  -5.484 -21.235
   93   1HD   LYS  13          HD2       LYS  13  -0.565  -5.624 -21.356
   94   2HD   LYS  13          HD3       LYS  13  -0.604  -3.850 -21.444
   95   1HE   LYS  13          HE2       LYS  13   0.858  -3.947 -23.474
   96   2HE   LYS  13          HE3       LYS  13   0.837  -5.713 -23.391
   97   1HZ   LYS  13          HZ1       LYS  13  -1.539  -3.993 -23.827
   98   2HZ   LYS  13          HZ2       LYS  13  -0.790  -4.883 -24.965
   99   3HZ   LYS  13          HZ3       LYS  13  -1.570  -5.626 -23.743
  100    H    VAL  14           H        VAL  14   1.295  -2.387 -17.583
  101    HA   VAL  14           HA       VAL  14   0.938  -3.447 -14.854
  102    HB   VAL  14           HB       VAL  14   2.198  -0.740 -15.533
  103   1HG1  VAL  14          HG11      VAL  14   0.816  -0.537 -13.526
  104   2HG1  VAL  14          HG12      VAL  14   1.521  -2.023 -12.839
  105   3HG1  VAL  14          HG13      VAL  14   2.510  -0.564 -13.046
  106   1HG2  VAL  14          HG21      VAL  14   3.374  -3.231 -14.252
  107   2HG2  VAL  14          HG22      VAL  14   3.881  -2.491 -15.788
  108   3HG2  VAL  14          HG23      VAL  14   4.173  -1.635 -14.276
  109    H    HIS  15           H        HIS  15  -0.973  -2.602 -13.946
  110    HA   HIS  15           HA       HIS  15  -2.728  -1.164 -15.894
  111   1HB   HIS  15          HB2       HIS  15  -3.660  -3.181 -13.858
  112   2HB   HIS  15          HB3       HIS  15  -4.459  -2.654 -15.334
  113    HD1  HIS  15           HD1      HIS  15  -2.222  -3.342 -17.501
  114    HD2  HIS  15           HD2      HIS  15  -3.131  -5.668 -14.115
  115    HE1  HIS  15           HE1      HIS  15  -1.234  -5.663 -17.922
  116    H    VAL  16           H        VAL  16  -1.480  -1.099 -12.636
  117    HA   VAL  16           HA       VAL  16  -3.630   0.529 -11.536
  118    HB   VAL  16           HB       VAL  16  -1.984   0.926  -9.699
  119   1HG1  VAL  16          HG11      VAL  16  -3.636  -0.861  -9.561
  120   2HG1  VAL  16          HG12      VAL  16  -2.546  -1.974 -10.409
  121   3HG1  VAL  16          HG13      VAL  16  -2.125  -1.357  -8.791
  122   1HG2  VAL  16          HG21      VAL  16   0.097   0.526 -11.158
  123   2HG2  VAL  16          HG22      VAL  16   0.076  -0.124  -9.525
  124   3HG2  VAL  16          HG23      VAL  16  -0.208  -1.209 -10.909
  125    H    LYS  17           H        LYS  17  -3.224   2.666 -10.652
  126    HA   LYS  17           HA       LYS  17  -1.122   4.310 -11.721
  127   1HB   LYS  17          HB2       LYS  17  -2.631   6.091 -12.537
  128   2HB   LYS  17          HB3       LYS  17  -2.748   4.636 -13.523
  129   1HG   LYS  17          HG2       LYS  17  -4.867   4.016 -12.405
  130   2HG   LYS  17          HG3       LYS  17  -4.750   5.445 -11.360
  131   1HD   LYS  17          HD2       LYS  17  -4.853   6.913 -13.356
  132   2HD   LYS  17          HD3       LYS  17  -4.976   5.478 -14.400
  133   1HE   LYS  17          HE2       LYS  17  -7.067   4.812 -13.229
  134   2HE   LYS  17          HE3       LYS  17  -6.945   6.239 -12.193
  135   1HZ   LYS  17          HZ1       LYS  17  -7.299   6.298 -15.135
  136   2HZ   LYS  17          HZ2       LYS  17  -8.457   6.608 -14.034
  137   3HZ   LYS  17          HZ3       LYS  17  -7.188   7.618 -14.176
  138    H    ALA  18           H        ALA  18  -1.063   6.331 -10.348
  139    HA   ALA  18           HA       ALA  18  -1.738   5.887  -7.624
  140   1HB   ALA  18          HB1       ALA  18  -1.238   8.287  -7.326
  141   2HB   ALA  18          HB2       ALA  18  -0.002   7.495  -8.322
  142   3HB   ALA  18          HB3       ALA  18  -1.243   8.520  -9.085
  143    H    GLY  19           H        GLY  19  -3.588   6.228  -6.479
  144   1HA   GLY  19          HA2       GLY  19  -5.654   7.136  -5.941
  145   2HA   GLY  19          HA3       GLY  19  -5.812   7.833  -7.558
  146    H    ASP  20           H        ASP  20  -4.885   4.745  -8.313
  147    HA   ASP  20           HA       ASP  20  -7.584   3.780  -8.791
  148   1HB   ASP  20          HB2       ASP  20  -5.566   3.248 -10.223
  149   2HB   ASP  20          HB3       ASP  20  -4.958   2.243  -8.896
  150    H    GLN  21           H        GLN  21  -8.257   1.592  -7.930
  151    HA   GLN  21           HA       GLN  21  -7.437   1.205  -5.082
  152   1HB   GLN  21          HB2       GLN  21  -9.749   2.077  -5.266
  153   2HB   GLN  21          HB3       GLN  21 -10.178   0.730  -6.333
  154   1HG   GLN  21          HG2       GLN  21  -9.720  -0.889  -4.544
  155   2HG   GLN  21          HG3       GLN  21  -9.138   0.387  -3.480
  156   1HE2  GLN  21          HE22      GLN  21 -10.988  -1.196  -2.410
  157   2HE2  GLN  21          HE21      GLN  21 -12.557  -0.432  -2.349
  158    H    ILE  22           H        ILE  22  -6.957  -0.868  -4.492
  159    HA   ILE  22           HA       ILE  22  -7.360  -3.024  -6.459
  160    HB   ILE  22           HB       ILE  22  -5.178  -3.898  -6.217
  161   1HG1  ILE  22          HG12      ILE  22  -4.622  -1.724  -4.157
  162   2HG1  ILE  22          HG13      ILE  22  -4.703  -3.469  -3.891
  163   1HG2  ILE  22          HG21      ILE  22  -3.825  -2.221  -7.332
  164   2HG2  ILE  22          HG22      ILE  22  -5.488  -2.055  -7.881
  165   3HG2  ILE  22          HG23      ILE  22  -4.822  -0.911  -6.698
  166   1HD1  ILE  22          HD11      ILE  22  -2.403  -2.946  -3.933
  167   2HD1  ILE  22          HD12      ILE  22  -2.719  -3.682  -5.509
  168   3HD1  ILE  22          HD13      ILE  22  -2.565  -1.919  -5.376
  169    H    GLU  23           H        GLU  23  -7.291  -5.161  -5.444
  170    HA   GLU  23           HA       GLU  23  -7.972  -5.200  -2.578
  171   1HB   GLU  23          HB2       GLU  23 -10.071  -5.013  -3.849
  172   2HB   GLU  23          HB3       GLU  23  -9.611  -6.408  -4.841
  173   1HG   GLU  23          HG2       GLU  23  -9.641  -7.849  -2.821
  174   2HG   GLU  23          HG3       GLU  23 -10.021  -6.449  -1.817
  175    H    LYS  24           H        LYS  24  -7.188  -7.173  -1.636
  176    HA   LYS  24           HA       LYS  24  -4.974  -8.414  -2.700
  177   1HB   LYS  24          HB2       LYS  24  -5.824  -8.575  -0.355
  178   2HB   LYS  24          HB3       LYS  24  -7.053  -9.726  -0.892
  179   1HG   LYS  24          HG2       LYS  24  -5.256 -11.287  -1.639
  180   2HG   LYS  24          HG3       LYS  24  -4.038 -10.111  -1.134
  181   1HD   LYS  24          HD2       LYS  24  -5.027 -10.275   1.238
  182   2HD   LYS  24          HD3       LYS  24  -6.056 -11.573   0.622
  183   1HE   LYS  24          HE2       LYS  24  -4.291 -12.768   1.549
  184   2HE   LYS  24          HE3       LYS  24  -3.853 -12.707  -0.160
  185   1HZ   LYS  24          HZ1       LYS  24  -2.749 -11.035   2.021
  186   2HZ   LYS  24          HZ2       LYS  24  -1.952 -12.161   1.157
  187   3HZ   LYS  24          HZ3       LYS  24  -2.411 -10.752   0.449
  188    H    GLY  25           H        GLY  25  -4.610  -9.657  -4.475
  189   1HA   GLY  25          HA2       GLY  25  -4.901 -11.571  -5.786
  190   2HA   GLY  25          HA3       GLY  25  -6.588 -11.699  -5.293
  191    H    GLN  26           H        GLN  26  -6.436  -8.479  -6.080
  192    HA   GLN  26           HA       GLN  26  -7.593  -8.751  -8.699
  193   1HB   GLN  26          HB2       GLN  26  -7.943  -6.876  -7.015
  194   2HB   GLN  26          HB3       GLN  26  -6.298  -6.310  -7.392
  195   1HG   GLN  26          HG2       GLN  26  -6.990  -5.932  -9.741
  196   2HG   GLN  26          HG3       GLN  26  -8.606  -6.547  -9.383
  197   1HE2  GLN  26          HE22      GLN  26  -6.798  -3.698  -9.648
  198   2HE2  GLN  26          HE21      GLN  26  -7.780  -2.646  -8.639
  199    H    GLU  27           H        GLU  27  -6.528  -8.673 -10.710
  200    HA   GLU  27           HA       GLU  27  -3.646  -8.949 -10.857
  201   1HB   GLU  27          HB2       GLU  27  -5.273  -9.947 -12.469
  202   2HB   GLU  27          HB3       GLU  27  -5.727  -8.324 -13.000
  203   1HG   GLU  27          HG2       GLU  27  -3.357  -7.955 -13.748
  204   2HG   GLU  27          HG3       GLU  27  -2.964  -9.599 -13.238
  205    H    VAL  28           H        VAL  28  -2.146  -7.352 -11.107
  206    HA   VAL  28           HA       VAL  28  -3.038  -4.540 -11.548
  207    HB   VAL  28           HB       VAL  28  -1.336  -3.891  -9.793
  208   1HG1  VAL  28          HG11      VAL  28  -3.713  -5.508  -8.772
  209   2HG1  VAL  28          HG12      VAL  28  -2.834  -4.238  -7.902
  210   3HG1  VAL  28          HG13      VAL  28  -3.781  -3.835  -9.349
  211   1HG2  VAL  28          HG21      VAL  28  -0.738  -5.482  -8.055
  212   2HG2  VAL  28          HG22      VAL  28  -1.614  -6.771  -8.892
  213   3HG2  VAL  28          HG23      VAL  28  -0.140  -6.088  -9.613
  214    H    ALA  29           H        ALA  29  -0.638  -7.074 -12.172
  215    HA   ALA  29           HA       ALA  29   0.278  -5.475 -14.408
  216   1HB   ALA  29          HB1       ALA  29   1.821  -4.612 -12.680
  217   2HB   ALA  29          HB2       ALA  29   2.257  -6.256 -12.199
  218   3HB   ALA  29          HB3       ALA  29   2.704  -5.651 -13.802
  219    H    ILE  30           H        ILE  30   2.148  -6.865 -15.486
  220    HA   ILE  30           HA       ILE  30   1.716  -9.772 -15.166
  221    HB   ILE  30           HB       ILE  30   1.492  -8.203 -17.770
  222   1HG1  ILE  30          HG12      ILE  30  -0.427 -10.202 -16.480
  223   2HG1  ILE  30          HG13      ILE  30  -0.601  -8.455 -16.411
  224   1HG2  ILE  30          HG21      ILE  30   1.685 -11.242 -17.429
  225   2HG2  ILE  30          HG22      ILE  30   1.407 -10.384 -18.961
  226   3HG2  ILE  30          HG23      ILE  30   2.940 -10.219 -18.149
  227   1HD1  ILE  30          HD11      ILE  30  -0.805 -10.138 -18.924
  228   2HD1  ILE  30          HD12      ILE  30  -2.092  -9.272 -18.078
  229   3HD1  ILE  30          HD13      ILE  30  -0.806  -8.354 -18.881
  230    H    LEU  31           H        LEU  31   3.593 -10.890 -15.607
  231    HA   LEU  31           HA       LEU  31   6.121  -9.336 -15.936
  232   1HB   LEU  31          HB2       LEU  31   5.754  -9.977 -13.655
  233   2HB   LEU  31          HB3       LEU  31   5.298 -11.622 -14.087
  234    HG   LEU  31           HG       LEU  31   7.465 -11.306 -12.941
  235   1HD1  LEU  31          HD11      LEU  31   7.840 -12.602 -15.656
  236   2HD1  LEU  31          HD12      LEU  31   8.714 -12.932 -14.152
  237   3HD1  LEU  31          HD13      LEU  31   6.993 -13.325 -14.286
  238   1HD2  LEU  31          HD21      LEU  31   9.350 -10.357 -13.913
  239   2HD2  LEU  31          HD22      LEU  31   8.612 -10.285 -15.532
  240   3HD2  LEU  31          HD23      LEU  31   8.054  -9.194 -14.245
  241    H    GLU  32           H        GLU  32   7.475 -10.167 -17.491
  242    HA   GLU  32           HA       GLU  32   6.744 -12.732 -18.825
  243   1HB   GLU  32          HB2       GLU  32   6.541 -10.760 -20.297
  244   2HB   GLU  32          HB3       GLU  32   8.200 -10.282 -19.908
  245   1HG   GLU  32          HG2       GLU  32   8.987 -12.483 -20.885
  246   2HG   GLU  32          HG3       GLU  32   7.317 -12.832 -21.335
  247    H    SER  33           H        SER  33   8.211 -14.322 -18.502
  248    HA   SER  33           HA       SER  33  11.018 -13.975 -18.306
  249   1HB   SER  33          HB2       SER  33  10.235 -13.150 -15.977
  250   2HB   SER  33          HB3       SER  33   9.725 -14.813 -15.669
  251    HG   SER  33           HG       SER  33  11.907 -14.066 -15.025
  252    H    MET  34           H        MET  34  11.989 -16.216 -17.752
  253    HA   MET  34           HA       MET  34  12.132 -18.434 -18.241
  254   1HB   MET  34          HB2       MET  34   9.360 -18.525 -16.992
  255   2HB   MET  34          HB3       MET  34  10.493 -19.866 -17.107
  256   1HG   MET  34          HG2       MET  34  12.014 -18.865 -15.566
  257   2HG   MET  34          HG3       MET  34  11.165 -17.322 -15.580
  258   1HE   MET  34          HE1       MET  34   9.155 -16.654 -14.178
  259   2HE   MET  34          HE2       MET  34   8.171 -17.734 -15.191
  260   3HE   MET  34          HE3       MET  34   8.037 -17.805 -13.423
  261    H    LYS  35           H        LYS  35  11.113 -16.791 -20.413
  262    HA   LYS  35           HA       LYS  35  10.011 -16.767 -22.371
  263   1HB   LYS  35          HB2       LYS  35  10.443 -19.778 -22.306
  264   2HB   LYS  35          HB3       LYS  35  10.029 -18.811 -23.725
  265   1HG   LYS  35          HG2       LYS  35  12.150 -17.536 -23.495
  266   2HG   LYS  35          HG3       LYS  35  12.576 -18.502 -22.077
  267   1HD   LYS  35          HD2       LYS  35  13.777 -19.361 -23.962
  268   2HD   LYS  35          HD3       LYS  35  12.570 -20.559 -23.471
  269   1HE   LYS  35          HE2       LYS  35  11.078 -19.809 -25.315
  270   2HE   LYS  35          HE3       LYS  35  12.255 -18.572 -25.773
  271   1HZ   LYS  35          HZ1       LYS  35  12.730 -21.496 -25.873
  272   2HZ   LYS  35          HZ2       LYS  35  12.443 -20.537 -27.157
  273   3HZ   LYS  35          HZ3       LYS  35  13.817 -20.352 -26.303
  274    H    MET  36           H        MET  36   8.325 -16.705 -20.085
  275    HA   MET  36           HA       MET  36   5.762 -17.584 -21.254
  276   1HB   MET  36          HB2       MET  36   6.769 -18.139 -18.422
  277   2HB   MET  36          HB3       MET  36   5.072 -18.246 -18.894
  278   1HG   MET  36          HG2       MET  36   5.634 -19.964 -20.579
  279   2HG   MET  36          HG3       MET  36   7.312 -19.943 -20.042
  280   1HE   MET  36          HE1       MET  36   7.157 -19.789 -16.846
  281   2HE   MET  36          HE2       MET  36   7.178 -21.526 -16.486
  282   3HE   MET  36          HE3       MET  36   8.198 -20.880 -17.790
  283    H    GLU  37           H        GLU  37   3.986 -16.533 -19.829
  284    HA   GLU  37           HA       GLU  37   4.748 -13.848 -18.816
  285   1HB   GLU  37          HB2       GLU  37   2.458 -14.621 -20.664
  286   2HB   GLU  37          HB3       GLU  37   2.475 -13.127 -19.714
  287   1HG   GLU  37          HG2       GLU  37   4.358 -12.252 -20.897
  288   2HG   GLU  37          HG3       GLU  37   4.722 -13.813 -21.637
  289    H    ILE  38           H        ILE  38   3.758 -13.423 -16.864
  290    HA   ILE  38           HA       ILE  38   1.918 -15.447 -15.720
  291    HB   ILE  38           HB       ILE  38   4.416 -14.353 -14.331
  292   1HG1  ILE  38          HG12      ILE  38   5.032 -16.965 -14.486
  293   2HG1  ILE  38          HG13      ILE  38   4.078 -16.889 -15.953
  294   1HG2  ILE  38          HG21      ILE  38   2.447 -16.578 -13.610
  295   2HG2  ILE  38          HG22      ILE  38   3.904 -16.176 -12.691
  296   3HG2  ILE  38          HG23      ILE  38   2.604 -14.997 -12.803
  297   1HD1  ILE  38          HD11      ILE  38   5.670 -14.984 -16.707
  298   2HD1  ILE  38          HD12      ILE  38   6.612 -15.346 -15.251
  299   3HD1  ILE  38          HD13      ILE  38   6.412 -16.578 -16.503
  300    HA   PRO  39           HA       PRO  39   0.114 -11.471 -14.577
  301   1HB   PRO  39          HB2       PRO  39  -1.856 -12.268 -12.848
  302   2HB   PRO  39          HB3       PRO  39  -1.952 -12.508 -14.620
  303   1HG   PRO  39          HG2       PRO  39  -1.071 -14.511 -12.521
  304   2HG   PRO  39          HG3       PRO  39  -2.239 -14.751 -13.860
  305   1HD   PRO  39          HD2       PRO  39   0.368 -15.515 -14.060
  306   2HD   PRO  39          HD3       PRO  39  -0.512 -14.853 -15.469
  307    H    ILE  40           H        ILE  40   0.125 -10.039 -12.801
  308    HA   ILE  40           HA       ILE  40   1.418 -10.946 -10.273
  309    HB   ILE  40           HB       ILE  40   1.788  -8.373 -11.830
  310   1HG1  ILE  40          HG12      ILE  40   3.147 -10.185 -12.769
  311   2HG1  ILE  40          HG13      ILE  40   4.093  -8.874 -12.096
  312   1HG2  ILE  40          HG21      ILE  40   3.370  -7.700 -10.043
  313   2HG2  ILE  40          HG22      ILE  40   1.705  -7.801  -9.485
  314   3HG2  ILE  40          HG23      ILE  40   2.845  -9.093  -9.071
  315   1HD1  ILE  40          HD11      ILE  40   5.102 -11.023 -11.546
  316   2HD1  ILE  40          HD12      ILE  40   4.577 -10.226 -10.067
  317   3HD1  ILE  40          HD13      ILE  40   3.619 -11.567 -10.743
  318    H    VAL  41           H        VAL  41   0.153 -10.571  -8.594
  319    HA   VAL  41           HA       VAL  41  -2.307  -8.967  -8.964
  320    HB   VAL  41           HB       VAL  41  -3.271 -10.571  -7.252
  321   1HG1  VAL  41          HG11      VAL  41  -2.493 -11.685  -9.977
  322   2HG1  VAL  41          HG12      VAL  41  -3.758 -12.337  -8.904
  323   3HG1  VAL  41          HG13      VAL  41  -3.931 -10.717  -9.563
  324   1HG2  VAL  41          HG21      VAL  41  -2.301 -12.768  -6.984
  325   2HG2  VAL  41          HG22      VAL  41  -0.941 -12.368  -8.045
  326   3HG2  VAL  41          HG23      VAL  41  -1.112 -11.568  -6.461
  327    H    ALA  42           H        ALA  42  -3.193  -7.989  -7.089
  328    HA   ALA  42           HA       ALA  42  -1.354  -6.523  -5.496
  329   1HB   ALA  42          HB1       ALA  42  -4.328  -7.066  -5.149
  330   2HB   ALA  42          HB2       ALA  42  -3.422  -5.770  -4.350
  331   3HB   ALA  42          HB3       ALA  42  -3.636  -5.757  -6.118
  332    H    ASP  43           H        ASP  43  -0.218  -7.288  -3.799
  333    HA   ASP  43           HA       ASP  43  -0.713  -9.776  -2.478
  334   1HB   ASP  43          HB2       ASP  43   1.513  -8.793  -2.547
  335   2HB   ASP  43          HB3       ASP  43   0.948  -7.336  -1.729
  336    H    ARG  44           H        ARG  44  -1.996  -6.545  -1.979
  337    HA   ARG  44           HA       ARG  44  -3.772  -7.440   0.134
  338   1HB   ARG  44          HB2       ARG  44  -3.044  -5.755   1.761
  339   2HB   ARG  44          HB3       ARG  44  -1.758  -6.913   1.431
  340   1HG   ARG  44          HG2       ARG  44  -0.869  -5.120  -0.287
  341   2HG   ARG  44          HG3       ARG  44  -1.990  -4.023   0.520
  342   1HD   ARG  44          HD2       ARG  44   0.220  -3.759   1.439
  343   2HD   ARG  44          HD3       ARG  44  -0.827  -4.487   2.680
  344    HE   ARG  44           HE       ARG  44   0.517  -6.540   1.172
  345   1HH1  ARG  44          HH21      ARG  44   1.272  -4.118   3.680
  346   2HH1  ARG  44          HH22      ARG  44   2.608  -5.016   4.296
  347   1HH2  ARG  44          HH11      ARG  44   2.143  -7.666   1.936
  348   2HH2  ARG  44          HH12      ARG  44   3.149  -7.146   3.278
  349    H    SER  45           H        SER  45  -5.460  -5.809   0.502
  350    HA   SER  45           HA       SER  45  -6.111  -4.289  -1.841
  351   1HB   SER  45          HB2       SER  45  -7.405  -4.184   0.914
  352   2HB   SER  45          HB3       SER  45  -8.166  -3.859  -0.649
  353    HG   SER  45           HG       SER  45  -8.567  -5.994   0.295
  354    H    GLY  46           H        GLY  46  -6.515  -1.941  -1.915
  355   1HA   GLY  46          HA2       GLY  46  -6.279  -0.110   0.093
  356   2HA   GLY  46          HA3       GLY  46  -4.604  -0.306  -0.436
  357    H    ILE  47           H        ILE  47  -5.236   2.108  -0.794
  358    HA   ILE  47           HA       ILE  47  -6.121   2.508  -3.614
  359    HB   ILE  47           HB       ILE  47  -5.679   4.505  -1.352
  360   1HG1  ILE  47          HG12      ILE  47  -7.761   3.281  -1.006
  361   2HG1  ILE  47          HG13      ILE  47  -8.063   4.959  -1.418
  362   1HG2  ILE  47          HG21      ILE  47  -6.508   4.986  -4.244
  363   2HG2  ILE  47          HG22      ILE  47  -6.636   6.192  -2.943
  364   3HG2  ILE  47          HG23      ILE  47  -5.053   5.580  -3.420
  365   1HD1  ILE  47          HD11      ILE  47  -8.327   2.606  -3.330
  366   2HD1  ILE  47          HD12      ILE  47  -9.657   3.463  -2.537
  367   3HD1  ILE  47          HD13      ILE  47  -8.663   4.303  -3.741
  368    H    VAL  48           H        VAL  48  -4.540   2.902  -5.067
  369    HA   VAL  48           HA       VAL  48  -1.769   2.447  -4.415
  370    HB   VAL  48           HB       VAL  48  -3.033   3.499  -6.943
  371   1HG1  VAL  48          HG11      VAL  48  -0.370   2.055  -6.461
  372   2HG1  VAL  48          HG12      VAL  48  -1.031   2.558  -8.033
  373   3HG1  VAL  48          HG13      VAL  48  -0.548   3.780  -6.855
  374   1HG2  VAL  48          HG21      VAL  48  -4.044   1.332  -6.349
  375   2HG2  VAL  48          HG22      VAL  48  -2.950   1.142  -7.705
  376   3HG2  VAL  48          HG23      VAL  48  -2.435   0.630  -6.078
  377    H    LYS  49           H        LYS  49  -0.578   3.886  -3.312
  378    HA   LYS  49           HA       LYS  49  -1.150   6.765  -3.390
  379   1HB   LYS  49          HB2       LYS  49  -0.351   5.742  -1.297
  380   2HB   LYS  49          HB3       LYS  49   1.095   5.138  -2.105
  381   1HG   LYS  49          HG2       LYS  49   1.647   7.066  -0.776
  382   2HG   LYS  49          HG3       LYS  49   1.862   7.466  -2.480
  383   1HD   LYS  49          HD2       LYS  49  -0.330   8.664  -2.468
  384   2HD   LYS  49          HD3       LYS  49  -0.552   8.216  -0.761
  385   1HE   LYS  49          HE2       LYS  49   1.571   9.435  -0.215
  386   2HE   LYS  49          HE3       LYS  49   1.711   9.921  -1.910
  387   1HZ   LYS  49          HZ1       LYS  49   0.694  11.652  -0.578
  388   2HZ   LYS  49          HZ2       LYS  49  -0.405  11.108  -1.654
  389   3HZ   LYS  49          HZ3       LYS  49  -0.499  10.650  -0.076
  390    H    GLU  50           H        GLU  50   1.328   4.396  -4.609
  391    HA   GLU  50           HA       GLU  50   1.868   6.182  -6.861
  392   1HB   GLU  50          HB2       GLU  50   3.271   7.068  -4.925
  393   2HB   GLU  50          HB3       GLU  50   4.128   5.526  -4.904
  394   1HG   GLU  50          HG2       GLU  50   5.005   5.920  -7.129
  395   2HG   GLU  50          HG3       GLU  50   3.926   7.298  -7.377
  396    H    VAL  51           H        VAL  51   3.263   5.085  -8.470
  397    HA   VAL  51           HA       VAL  51   3.398   2.127  -8.125
  398    HB   VAL  51           HB       VAL  51   3.096   3.649 -10.748
  399   1HG1  VAL  51          HG11      VAL  51   2.744   0.690 -10.050
  400   2HG1  VAL  51          HG12      VAL  51   2.493   1.426 -11.647
  401   3HG1  VAL  51          HG13      VAL  51   4.111   1.388 -10.945
  402   1HG2  VAL  51          HG21      VAL  51   0.938   2.231  -9.135
  403   2HG2  VAL  51          HG22      VAL  51   1.002   3.973  -9.487
  404   3HG2  VAL  51          HG23      VAL  51   0.751   2.829 -10.801
  405    H    LYS  52           H        LYS  52   5.414   1.241  -8.499
  406    HA   LYS  52           HA       LYS  52   7.642   3.226  -8.580
  407   1HB   LYS  52          HB2       LYS  52   7.523   0.418  -7.413
  408   2HB   LYS  52          HB3       LYS  52   8.856   1.556  -7.239
  409   1HG   LYS  52          HG2       LYS  52   6.067   1.869  -6.049
  410   2HG   LYS  52          HG3       LYS  52   7.525   1.362  -5.206
  411   1HD   LYS  52          HD2       LYS  52   8.564   3.574  -5.637
  412   2HD   LYS  52          HD3       LYS  52   7.057   4.115  -6.428
  413   1HE   LYS  52          HE2       LYS  52   5.784   3.735  -4.399
  414   2HE   LYS  52          HE3       LYS  52   7.184   3.016  -3.589
  415   1HZ   LYS  52          HZ1       LYS  52   7.023   5.849  -4.462
  416   2HZ   LYS  52          HZ2       LYS  52   6.749   5.300  -2.936
  417   3HZ   LYS  52          HZ3       LYS  52   8.250   5.161  -3.603
  418    H    LYS  53           H        LYS  53   6.225   1.461 -10.863
  419    HA   LYS  53           HA       LYS  53   8.685   0.825 -12.316
  420   1HB   LYS  53          HB2       LYS  53   6.494  -1.245 -11.758
  421   2HB   LYS  53          HB3       LYS  53   7.804  -1.452 -12.922
  422   1HG   LYS  53          HG2       LYS  53   8.189  -1.183  -9.932
  423   2HG   LYS  53          HG3       LYS  53   8.183  -2.695 -10.828
  424   1HD   LYS  53          HD2       LYS  53  10.135  -2.051 -12.126
  425   2HD   LYS  53          HD3       LYS  53  10.169  -0.441 -11.418
  426   1HE   LYS  53          HE2       LYS  53  10.565  -3.029  -9.874
  427   2HE   LYS  53          HE3       LYS  53  11.849  -1.956 -10.435
  428   1HZ   LYS  53          HZ1       LYS  53  11.362  -1.563  -8.176
  429   2HZ   LYS  53          HZ2       LYS  53  10.848  -0.212  -9.016
  430   3HZ   LYS  53          HZ3       LYS  53   9.770  -1.329  -8.438
  431    H    LYS  54           H        LYS  54   7.795  -0.170 -14.576
  432    HA   LYS  54           HA       LYS  54   5.292   1.042 -15.430
  433   1HB   LYS  54          HB2       LYS  54   6.265   2.239 -17.315
  434   2HB   LYS  54          HB3       LYS  54   6.853   2.918 -15.802
  435   1HG   LYS  54          HG2       LYS  54   9.007   1.812 -16.052
  436   2HG   LYS  54          HG3       LYS  54   8.460   0.918 -17.470
  437   1HD   LYS  54          HD2       LYS  54   8.668   3.947 -17.323
  438   2HD   LYS  54          HD3       LYS  54   9.925   2.902 -17.971
  439   1HE   LYS  54          HE2       LYS  54   7.084   3.097 -19.083
  440   2HE   LYS  54          HE3       LYS  54   8.480   3.968 -19.710
  441   1HZ   LYS  54          HZ1       LYS  54   8.105   2.004 -20.998
  442   2HZ   LYS  54          HZ2       LYS  54   9.517   1.823 -20.212
  443   3HZ   LYS  54          HZ3       LYS  54   8.179   1.009 -19.710
  444    H    GLU  55           H        GLU  55   4.892   0.368 -17.738
  445    HA   GLU  55           HA       GLU  55   5.153  -2.397 -18.119
  446   1HB   GLU  55          HB2       GLU  55   4.867  -0.316 -20.337
  447   2HB   GLU  55          HB3       GLU  55   4.387  -2.006 -20.375
  448   1HG   GLU  55          HG2       GLU  55   2.338  -1.131 -19.979
  449   2HG   GLU  55          HG3       GLU  55   2.851  -1.262 -18.303
  450    H    GLY  56           H        GLY  56   6.715  -3.671 -18.909
  451   1HA   GLY  56          HA2       GLY  56   8.479  -4.417 -20.145
  452   2HA   GLY  56          HA3       GLY  56   8.666  -2.808 -20.857
  453    H    ASP  57           H        ASP  57   8.744  -2.297 -17.500
  454    HA   ASP  57           HA       ASP  57  11.590  -1.807 -17.605
  455   1HB   ASP  57          HB2       ASP  57   9.926  -0.476 -16.271
  456   2HB   ASP  57          HB3       ASP  57   9.796  -1.838 -15.154
  457    H    PHE  58           H        PHE  58  13.197  -2.776 -16.185
  458    HA   PHE  58           HA       PHE  58  13.045  -5.694 -15.978
  459   1HB   PHE  58          HB2       PHE  58  15.173  -4.595 -16.473
  460   2HB   PHE  58          HB3       PHE  58  15.041  -3.609 -15.024
  461    HD1  PHE  58           HD1      PHE  58  15.694  -4.453 -12.848
  462    HD2  PHE  58           HD2      PHE  58  15.637  -7.071 -16.280
  463    HE1  PHE  58           HE1      PHE  58  16.996  -6.146 -11.585
  464    HE2  PHE  58           HE2      PHE  58  16.932  -8.760 -15.010
  465    HZ   PHE  58           HZ       PHE  58  17.643  -8.289 -12.673
  466    H    VAL  59           H        VAL  59  12.742  -6.884 -14.064
  467    HA   VAL  59           HA       VAL  59  12.350  -5.465 -11.525
  468    HB   VAL  59           HB       VAL  59  10.249  -6.871 -11.159
  469   1HG1  VAL  59          HG11      VAL  59  10.246  -4.440 -11.334
  470   2HG1  VAL  59          HG12      VAL  59  10.032  -4.542 -13.099
  471   3HG1  VAL  59          HG13      VAL  59   8.769  -5.137 -12.007
  472   1HG2  VAL  59          HG21      VAL  59  10.091  -6.848 -14.202
  473   2HG2  VAL  59          HG22      VAL  59  10.377  -8.284 -13.191
  474   3HG2  VAL  59          HG23      VAL  59   8.845  -7.397 -13.068
  475    H    ASN  60           H        ASN  60  12.179  -7.017  -9.701
  476    HA   ASN  60           HA       ASN  60  13.466  -9.580 -10.233
  477   1HB   ASN  60          HB2       ASN  60  15.088  -7.376  -9.740
  478   2HB   ASN  60          HB3       ASN  60  14.874  -8.060  -8.127
  479   1HD2  ASN  60          HD22      ASN  60  15.522  -9.032 -11.548
  480   2HD2  ASN  60          HD21      ASN  60  16.658 -10.304 -11.147
  481    H    GLU  61           H        GLU  61  13.850 -10.798  -8.184
  482    HA   GLU  61           HA       GLU  61  11.394 -11.080  -6.766
  483   1HB   GLU  61          HB2       GLU  61  12.907 -12.928  -7.199
  484   2HB   GLU  61          HB3       GLU  61  14.216 -12.144  -6.326
  485   1HG   GLU  61          HG2       GLU  61  12.825 -12.303  -4.217
  486   2HG   GLU  61          HG3       GLU  61  11.576 -13.134  -5.142
  487    H    GLY  62           H        GLY  62  10.616  -9.621  -5.362
  488   1HA   GLY  62          HA2       GLY  62  10.561  -8.656  -3.244
  489   2HA   GLY  62          HA3       GLY  62  12.327  -8.566  -3.195
  490    H    ASP  63           H        ASP  63  11.440  -7.494  -6.293
  491    HA   ASP  63           HA       ASP  63  12.114  -4.761  -5.554
  492   1HB   ASP  63          HB2       ASP  63  12.877  -6.043  -7.635
  493   2HB   ASP  63          HB3       ASP  63  11.252  -5.805  -8.276
  494    H    VAL  64           H        VAL  64  10.672  -3.084  -5.274
  495    HA   VAL  64           HA       VAL  64   7.964  -3.775  -4.738
  496    HB   VAL  64           HB       VAL  64   9.205  -0.999  -4.932
  497   1HG1  VAL  64          HG11      VAL  64   7.441  -0.403  -3.271
  498   2HG1  VAL  64          HG12      VAL  64   6.745  -0.932  -4.802
  499   3HG1  VAL  64          HG13      VAL  64   6.762  -2.038  -3.416
  500   1HG2  VAL  64          HG21      VAL  64  10.538  -2.343  -3.364
  501   2HG2  VAL  64          HG22      VAL  64   9.530  -1.219  -2.459
  502   3HG2  VAL  64          HG23      VAL  64   9.061  -2.930  -2.570
  503    H    LEU  65           H        LEU  65   6.142  -3.582  -5.918
  504    HA   LEU  65           HA       LEU  65   6.256  -2.676  -8.738
  505   1HB   LEU  65          HB2       LEU  65   5.079  -4.778  -8.355
  506   2HB   LEU  65          HB3       LEU  65   4.141  -4.079  -7.041
  507    HG   LEU  65           HG       LEU  65   2.971  -2.567  -8.627
  508   1HD1  LEU  65          HD11      LEU  65   3.153  -2.972 -11.061
  509   2HD1  LEU  65          HD12      LEU  65   4.670  -2.363 -10.402
  510   3HD1  LEU  65          HD13      LEU  65   4.499  -4.096 -10.767
  511   1HD2  LEU  65          HD21      LEU  65   1.601  -4.275  -9.708
  512   2HD2  LEU  65          HD22      LEU  65   2.851  -5.499  -9.393
  513   3HD2  LEU  65          HD23      LEU  65   1.988  -4.733  -8.042
  514    H    LEU  66           H        LEU  66   4.502  -2.056  -5.594
  515    HA   LEU  66           HA       LEU  66   4.148   0.739  -6.382
  516   1HB   LEU  66          HB2       LEU  66   1.733   0.765  -6.431
  517   2HB   LEU  66          HB3       LEU  66   2.370  -0.285  -7.667
  518    HG   LEU  66           HG       LEU  66   1.855  -2.240  -6.101
  519   1HD1  LEU  66          HD11      LEU  66  -0.103  -1.782  -4.531
  520   2HD1  LEU  66          HD12      LEU  66   1.424  -1.154  -3.950
  521   3HD1  LEU  66          HD13      LEU  66   0.252  -0.050  -4.702
  522   1HD2  LEU  66          HD21      LEU  66   0.557  -1.794  -8.080
  523   2HD2  LEU  66          HD22      LEU  66  -0.501  -2.317  -6.775
  524   3HD2  LEU  66          HD23      LEU  66  -0.427  -0.589  -7.201
  525    H    GLU  67           H        GLU  67   2.768   1.902  -4.755
  526    HA   GLU  67           HA       GLU  67   3.230   0.904  -2.000
  527   1HB   GLU  67          HB2       GLU  67   5.066   2.380  -2.600
  528   2HB   GLU  67          HB3       GLU  67   3.944   3.616  -3.197
  529   1HG   GLU  67          HG2       GLU  67   3.133   4.059  -0.967
  530   2HG   GLU  67          HG3       GLU  67   3.979   2.643  -0.321
  531    H    LEU  68           H        LEU  68   1.631   1.656  -0.539
  532    HA   LEU  68           HA       LEU  68  -0.907   2.477  -1.864
  533   1HB   LEU  68          HB2       LEU  68  -0.405   0.501   0.400
  534   2HB   LEU  68          HB3       LEU  68  -1.996   1.034  -0.121
  535    HG   LEU  68           HG       LEU  68  -0.025  -0.498  -1.868
  536   1HD1  LEU  68          HD11      LEU  68  -0.932  -1.868  -0.038
  537   2HD1  LEU  68          HD12      LEU  68  -2.584  -1.427  -0.513
  538   3HD1  LEU  68          HD13      LEU  68  -1.570  -2.383  -1.611
  539   1HD2  LEU  68          HD21      LEU  68  -1.406   0.843  -3.271
  540   2HD2  LEU  68          HD22      LEU  68  -2.040  -0.779  -3.355
  541   3HD2  LEU  68          HD23      LEU  68  -2.887   0.428  -2.371
  542    H    SER  69           H        SER  69  -2.422   3.522  -0.566
  543    HA   SER  69           HA       SER  69  -1.339   5.672   1.017
  544   1HB   SER  69          HB2       SER  69  -4.227   4.808   0.554
  545   2HB   SER  69          HB3       SER  69  -3.675   6.397   1.107
  546    HG   SER  69           HG       SER  69  -3.173   5.168  -1.415
  547    H    ASN  70           H        ASN  70  -2.128   6.229   3.215
  548    HA   ASN  70           HA       ASN  70  -3.078   4.058   4.945
  549   1HB   ASN  70          HB2       ASN  70  -0.601   3.757   4.928
  550   2HB   ASN  70          HB3       ASN  70  -0.392   5.452   5.363
  551   1HD2  ASN  70          HD22      ASN  70   0.108   5.655   7.531
  552   2HD2  ASN  70          HD21      ASN  70  -0.536   4.631   8.807
  553    H    SER  71           H        SER  71  -3.638   4.979   7.140
  554    HA   SER  71           HA       SER  71  -5.122   7.369   6.912
  555   1HB   SER  71          HB2       SER  71  -5.256   6.995   9.478
  556   2HB   SER  71          HB3       SER  71  -5.905   5.753   8.396
  557    HG   SER  71           HG       SER  71  -4.599   4.866  10.057
  558    H    THR  72           H        THR  72  -1.778   6.853   7.857
  559    HA   THR  72           HA       THR  72  -1.454   9.792   8.140
  560    HB   THR  72           HB       THR  72   0.085   7.706   9.749
  561    HG1  THR  72           HG1      THR  72  -2.037   7.820  10.482
  562   1HG2  THR  72          HG21      THR  72  -0.047  10.751   9.966
  563   2HG2  THR  72          HG22      THR  72   0.842   9.668  11.062
  564   3HG2  THR  72          HG23      THR  72   1.331   9.802   9.367
  565    H    GLN  73           H        GLN  73   0.051  10.520   6.670
  566    HA   GLN  73           HA       GLN  73   1.977   8.771   5.385
  567   1HB   GLN  73          HB2       GLN  73   0.992   9.153   3.122
  568   2HB   GLN  73          HB3       GLN  73   0.018   8.094   4.136
  569   1HG   GLN  73          HG2       GLN  73  -1.550   9.962   4.613
  570   2HG   GLN  73          HG3       GLN  73  -0.563  11.046   3.629
  571   1HE2  GLN  73          HE21      GLN  73  -2.875   8.365   3.571
  572   2HE2  GLN  73          HE22      GLN  73  -3.203   8.477   1.844
  Start of MODEL   15
    1   1H    THR   2          H1        THR   2   3.581  -1.265   1.479
    2   2H    THR   2          H2        THR   2   2.531  -2.495   1.167
    3   3H    THR   2          H3        THR   2   4.104  -2.827   1.517
    4    HA   THR   2           HA       THR   2   3.328  -1.264  -0.826
    5    HB   THR   2           HB       THR   2   5.666  -2.286  -1.522
    6    HG1  THR   2           HG1      THR   2   6.994  -2.753   0.166
    7   1HG2  THR   2          HG21      THR   2   6.886  -0.411  -0.459
    8   2HG2  THR   2          HG22      THR   2   5.389   0.102  -1.234
    9   3HG2  THR   2          HG23      THR   2   5.462  -0.048   0.539
   10    H    VAL   3           H        VAL   3   4.017  -2.755  -2.895
   11    HA   VAL   3           HA       VAL   3   3.253  -5.578  -2.530
   12    HB   VAL   3           HB       VAL   3   2.095  -3.711  -4.639
   13   1HG1  VAL   3          HG11      VAL   3   2.503  -5.936  -5.598
   14   2HG1  VAL   3          HG12      VAL   3   1.662  -6.702  -4.235
   15   3HG1  VAL   3          HG13      VAL   3   0.775  -5.680  -5.395
   16   1HG2  VAL   3          HG21      VAL   3   0.682  -5.126  -2.352
   17   2HG2  VAL   3          HG22      VAL   3   0.875  -3.372  -2.582
   18   3HG2  VAL   3          HG23      VAL   3  -0.133  -4.287  -3.697
   19    H    SER   4           H        SER   4   4.590  -6.846  -3.925
   20    HA   SER   4           HA       SER   4   6.656  -5.408  -5.518
   21   1HB   SER   4          HB2       SER   4   7.146  -7.514  -3.386
   22   2HB   SER   4          HB3       SER   4   8.376  -6.645  -4.318
   23    HG   SER   4           HG       SER   4   8.026  -5.789  -2.180
   24    H    ILE   5           H        ILE   5   7.947  -6.789  -6.824
   25    HA   ILE   5           HA       ILE   5   6.526  -9.106  -7.967
   26    HB   ILE   5           HB       ILE   5   9.237  -7.909  -8.690
   27   1HG1  ILE   5          HG12      ILE   5   7.655  -6.113  -9.011
   28   2HG1  ILE   5          HG13      ILE   5   8.101  -6.765 -10.568
   29   1HG2  ILE   5          HG21      ILE   5   7.354  -9.781 -10.203
   30   2HG2  ILE   5          HG22      ILE   5   8.772  -8.984 -10.922
   31   3HG2  ILE   5          HG23      ILE   5   8.987 -10.125  -9.611
   32   1HD1  ILE   5          HD11      ILE   5   5.496  -7.334  -9.118
   33   2HD1  ILE   5          HD12      ILE   5   5.733  -6.280 -10.520
   34   3HD1  ILE   5          HD13      ILE   5   5.964  -8.021 -10.696
   35    H    GLN   6           H        GLN   6   7.636 -11.187  -8.032
   36    HA   GLN   6           HA       GLN   6   9.357 -11.732  -5.663
   37   1HB   GLN   6          HB2       GLN   6   7.889 -13.537  -5.054
   38   2HB   GLN   6          HB3       GLN   6   6.987 -12.036  -5.119
   39   1HG   GLN   6          HG2       GLN   6   6.939 -14.213  -7.264
   40   2HG   GLN   6          HG3       GLN   6   5.730 -13.982  -6.011
   41   1HE2  GLN   6          HE22      GLN   6   4.298 -12.065  -6.135
   42   2HE2  GLN   6          HE21      GLN   6   4.126 -11.224  -7.657
   43    H    MET   7           H        MET   7   9.737 -11.678  -8.777
   44    HA   MET   7           HA       MET   7  11.504 -13.956  -8.884
   45   1HB   MET   7          HB2       MET   7  10.517 -14.897 -10.967
   46   2HB   MET   7          HB3       MET   7   9.458 -15.097  -9.569
   47   1HG   MET   7          HG2       MET   7   8.144 -13.119 -10.287
   48   2HG   MET   7          HG3       MET   7   9.120 -13.023 -11.755
   49   1HE   MET   7          HE1       MET   7   5.236 -14.584 -11.939
   50   2HE   MET   7          HE2       MET   7   5.888 -13.983 -10.404
   51   3HE   MET   7          HE3       MET   7   6.100 -13.038 -11.895
   52    H    ALA   8           H        ALA   8  12.903 -13.743 -10.835
   53    HA   ALA   8           HA       ALA   8  13.311 -10.938 -11.595
   54   1HB   ALA   8          HB1       ALA   8  14.764 -13.479 -12.418
   55   2HB   ALA   8          HB2       ALA   8  15.285 -11.810 -12.742
   56   3HB   ALA   8          HB3       ALA   8  15.219 -12.407 -11.066
   57    H    GLY   9           H        GLY   9  12.813  -9.987 -13.556
   58   1HA   GLY   9          HA2       GLY   9  12.502 -11.374 -15.989
   59   2HA   GLY   9          HA3       GLY   9  10.900 -11.250 -15.266
   60    H    ASN  10           H        ASN  10  10.197  -9.873 -16.958
   61    HA   ASN  10           HA       ASN  10  11.037  -7.021 -16.663
   62   1HB   ASN  10          HB2       ASN  10  10.783  -8.648 -19.206
   63   2HB   ASN  10          HB3       ASN  10  10.264  -6.966 -19.197
   64   1HD2  ASN  10          HD22      ASN  10  13.086  -7.952 -17.181
   65   2HD2  ASN  10          HD21      ASN  10  14.256  -7.190 -18.236
   66    H    LEU  11           H        LEU  11   9.307  -5.682 -16.515
   67    HA   LEU  11           HA       LEU  11   6.870  -6.976 -15.671
   68   1HB   LEU  11          HB2       LEU  11   8.140  -5.139 -14.496
   69   2HB   LEU  11          HB3       LEU  11   7.609  -4.032 -15.755
   70    HG   LEU  11           HG       LEU  11   5.212  -4.561 -15.122
   71   1HD1  LEU  11          HD11      LEU  11   6.561  -6.146 -12.886
   72   2HD1  LEU  11          HD12      LEU  11   4.872  -5.607 -12.844
   73   3HD1  LEU  11          HD13      LEU  11   5.389  -6.756 -14.075
   74   1HD2  LEU  11          HD21      LEU  11   6.474  -2.619 -14.259
   75   2HD2  LEU  11          HD22      LEU  11   5.322  -3.218 -13.070
   76   3HD2  LEU  11          HD23      LEU  11   7.043  -3.602 -12.883
   77    H    TRP  12           H        TRP  12   6.374  -7.769 -17.842
   78    HA   TRP  12           HA       TRP  12   5.995  -6.790 -20.208
   79   1HB   TRP  12          HB2       TRP  12   5.240  -9.025 -19.203
   80   2HB   TRP  12          HB3       TRP  12   3.695  -8.261 -18.889
   81    HD1  TRP  12           HD1      TRP  12   6.041  -8.997 -21.813
   82    HE1  TRP  12           HE1      TRP  12   4.714  -9.572 -23.917
   83    HE3  TRP  12           HE3      TRP  12   1.333  -8.187 -20.004
   84    HZ2  TRP  12           HZ2      TRP  12   1.921  -9.703 -24.706
   85    HZ3  TRP  12           HZ3      TRP  12  -0.648  -8.597 -21.433
   86    HH2  TRP  12           HH2      TRP  12  -0.369  -9.344 -23.785
   87    H    LYS  13           H        LYS  13   3.276  -6.291 -17.861
   88    HA   LYS  13           HA       LYS  13   2.742  -3.640 -18.980
   89   1HB   LYS  13          HB2       LYS  13   0.701  -5.912 -19.033
   90   2HB   LYS  13          HB3       LYS  13   0.257  -4.203 -19.126
   91   1HG   LYS  13          HG2       LYS  13   1.670  -3.982 -21.189
   92   2HG   LYS  13          HG3       LYS  13   1.941  -5.735 -21.140
   93   1HD   LYS  13          HD2       LYS  13  -0.570  -6.048 -21.188
   94   2HD   LYS  13          HD3       LYS  13  -0.739  -4.316 -21.474
   95   1HE   LYS  13          HE2       LYS  13   0.814  -6.273 -23.238
   96   2HE   LYS  13          HE3       LYS  13  -0.834  -5.727 -23.548
   97   1HZ   LYS  13          HZ1       LYS  13   0.733  -4.456 -24.836
   98   2HZ   LYS  13          HZ2       LYS  13   0.016  -3.462 -23.767
   99   3HZ   LYS  13          HZ3       LYS  13   1.553  -3.971 -23.517
  100    H    VAL  14           H        VAL  14   1.113  -2.509 -17.548
  101    HA   VAL  14           HA       VAL  14   0.861  -3.582 -14.812
  102    HB   VAL  14           HB       VAL  14   1.989  -0.824 -15.493
  103   1HG1  VAL  14          HG11      VAL  14   1.454  -2.151 -12.787
  104   2HG1  VAL  14          HG12      VAL  14   2.381  -0.657 -13.015
  105   3HG1  VAL  14          HG13      VAL  14   0.671  -0.688 -13.435
  106   1HG2  VAL  14          HG21      VAL  14   3.294  -3.275 -14.252
  107   2HG2  VAL  14          HG22      VAL  14   3.727  -2.521 -15.805
  108   3HG2  VAL  14          HG23      VAL  14   4.031  -1.649 -14.308
  109    H    HIS  15           H        HIS  15  -1.034  -2.774 -13.807
  110    HA   HIS  15           HA       HIS  15  -2.950  -1.418 -15.652
  111   1HB   HIS  15          HB2       HIS  15  -3.682  -3.659 -13.769
  112   2HB   HIS  15          HB3       HIS  15  -4.544  -3.093 -15.196
  113    HD1  HIS  15           HD1      HIS  15  -2.396  -3.512 -17.474
  114    HD2  HIS  15           HD2      HIS  15  -2.894  -6.025 -14.143
  115    HE1  HIS  15           HE1      HIS  15  -1.269  -5.734 -18.058
  116    H    VAL  16           H        VAL  16  -1.418  -0.208 -13.365
  117    HA   VAL  16           HA       VAL  16  -3.727   0.746 -11.774
  118    HB   VAL  16           HB       VAL  16  -2.168   0.882  -9.797
  119   1HG1  VAL  16          HG11      VAL  16  -2.624  -1.367  -9.021
  120   2HG1  VAL  16          HG12      VAL  16  -4.018  -0.721  -9.895
  121   3HG1  VAL  16          HG13      VAL  16  -2.965  -1.912 -10.685
  122   1HG2  VAL  16          HG21      VAL  16  -0.313  -0.604  -9.573
  123   2HG2  VAL  16          HG22      VAL  16  -0.560  -1.283 -11.194
  124   3HG2  VAL  16          HG23      VAL  16  -0.030   0.404 -10.996
  125    H    LYS  17           H        LYS  17  -3.294   2.808 -10.704
  126    HA   LYS  17           HA       LYS  17  -1.107   4.448 -11.667
  127   1HB   LYS  17          HB2       LYS  17  -2.591   6.252 -12.482
  128   2HB   LYS  17          HB3       LYS  17  -2.712   4.801 -13.475
  129   1HG   LYS  17          HG2       LYS  17  -4.861   4.202 -12.372
  130   2HG   LYS  17          HG3       LYS  17  -4.714   5.600 -11.304
  131   1HD   LYS  17          HD2       LYS  17  -6.272   6.123 -13.049
  132   2HD   LYS  17          HD3       LYS  17  -4.824   7.119 -13.264
  133   1HE   LYS  17          HE2       LYS  17  -4.021   5.565 -15.035
  134   2HE   LYS  17          HE3       LYS  17  -5.441   4.539 -14.785
  135   1HZ   LYS  17          HZ1       LYS  17  -5.514   7.343 -15.745
  136   2HZ   LYS  17          HZ2       LYS  17  -5.734   6.019 -16.666
  137   3HZ   LYS  17          HZ3       LYS  17  -6.825   6.392 -15.518
  138    H    ALA  18           H        ALA  18  -1.064   6.484 -10.330
  139    HA   ALA  18           HA       ALA  18  -1.660   6.061  -7.591
  140   1HB   ALA  18          HB1       ALA  18  -1.174   8.463  -7.328
  141   2HB   ALA  18          HB2       ALA  18   0.033   7.677  -8.360
  142   3HB   ALA  18          HB3       ALA  18  -1.243   8.684  -9.089
  143    H    GLY  19           H        GLY  19  -3.442   6.397  -6.375
  144   1HA   GLY  19          HA2       GLY  19  -5.476   7.272  -5.726
  145   2HA   GLY  19          HA3       GLY  19  -5.699   8.025  -7.310
  146    H    ASP  20           H        ASP  20  -4.850   4.901  -8.139
  147    HA   ASP  20           HA       ASP  20  -7.590   4.068  -8.601
  148   1HB   ASP  20          HB2       ASP  20  -5.552   3.491 -10.046
  149   2HB   ASP  20          HB3       ASP  20  -5.082   2.362  -8.775
  150    H    GLN  21           H        GLN  21  -8.276   1.822  -7.841
  151    HA   GLN  21           HA       GLN  21  -7.576   1.320  -4.967
  152   1HB   GLN  21          HB2       GLN  21  -9.883   2.173  -5.197
  153   2HB   GLN  21          HB3       GLN  21 -10.198   1.030  -6.494
  154   1HG   GLN  21          HG2       GLN  21 -11.306   0.166  -4.622
  155   2HG   GLN  21          HG3       GLN  21  -9.918  -0.869  -4.841
  156   1HE2  GLN  21          HE22      GLN  21  -8.834  -1.360  -2.888
  157   2HE2  GLN  21          HE21      GLN  21  -8.948  -0.362  -1.456
  158    H    ILE  22           H        ILE  22  -6.981  -0.793  -4.532
  159    HA   ILE  22           HA       ILE  22  -7.536  -2.876  -6.568
  160    HB   ILE  22           HB       ILE  22  -5.409  -3.898  -6.281
  161   1HG1  ILE  22          HG12      ILE  22  -4.756  -1.712  -4.266
  162   2HG1  ILE  22          HG13      ILE  22  -4.900  -3.447  -3.967
  163   1HG2  ILE  22          HG21      ILE  22  -3.995  -2.380  -7.473
  164   2HG2  ILE  22          HG22      ILE  22  -5.655  -2.070  -7.981
  165   3HG2  ILE  22          HG23      ILE  22  -4.857  -0.963  -6.843
  166   1HD1  ILE  22          HD11      ILE  22  -2.737  -2.008  -5.509
  167   2HD1  ILE  22          HD12      ILE  22  -2.582  -2.928  -3.999
  168   3HD1  ILE  22          HD13      ILE  22  -2.910  -3.775  -5.520
  169    H    GLU  23           H        GLU  23  -7.437  -5.079  -5.572
  170    HA   GLU  23           HA       GLU  23  -8.133  -5.151  -2.709
  171   1HB   GLU  23          HB2       GLU  23 -10.224  -4.914  -3.947
  172   2HB   GLU  23          HB3       GLU  23  -9.787  -6.280  -5.001
  173   1HG   GLU  23          HG2       GLU  23  -9.839  -7.799  -3.044
  174   2HG   GLU  23          HG3       GLU  23 -10.167  -6.435  -1.973
  175    H    LYS  24           H        LYS  24  -7.314  -7.055  -1.771
  176    HA   LYS  24           HA       LYS  24  -5.116  -8.300  -2.819
  177   1HB   LYS  24          HB2       LYS  24  -5.970  -8.369  -0.448
  178   2HB   LYS  24          HB3       LYS  24  -7.130  -9.608  -0.941
  179   1HG   LYS  24          HG2       LYS  24  -5.209 -11.073  -1.644
  180   2HG   LYS  24          HG3       LYS  24  -4.089  -9.819  -1.090
  181   1HD   LYS  24          HD2       LYS  24  -5.111 -10.034   1.232
  182   2HD   LYS  24          HD3       LYS  24  -6.129 -11.330   0.600
  183   1HE   LYS  24          HE2       LYS  24  -4.403 -12.529   1.576
  184   2HE   LYS  24          HE3       LYS  24  -3.928 -12.494  -0.122
  185   1HZ   LYS  24          HZ1       LYS  24  -2.440 -10.587   0.484
  186   2HZ   LYS  24          HZ2       LYS  24  -2.853 -10.789   2.053
  187   3HZ   LYS  24          HZ3       LYS  24  -2.059 -11.974   1.269
  188    H    GLY  25           H        GLY  25  -4.708  -9.708  -4.441
  189   1HA   GLY  25          HA2       GLY  25  -4.958 -11.664  -5.665
  190   2HA   GLY  25          HA3       GLY  25  -6.636 -11.821  -5.139
  191    H    GLN  26           H        GLN  26  -6.680  -8.675  -6.103
  192    HA   GLN  26           HA       GLN  26  -7.736  -9.145  -8.752
  193   1HB   GLN  26          HB2       GLN  26  -8.261  -7.170  -7.204
  194   2HB   GLN  26          HB3       GLN  26  -6.628  -6.578  -7.535
  195   1HG   GLN  26          HG2       GLN  26  -7.458  -6.770 -10.087
  196   2HG   GLN  26          HG3       GLN  26  -9.045  -6.713  -9.342
  197   1HE2  GLN  26          HE22      GLN  26  -6.145  -4.936 -10.170
  198   2HE2  GLN  26          HE21      GLN  26  -6.697  -3.360  -9.616
  199    H    GLU  27           H        GLU  27  -6.628  -8.846 -10.746
  200    HA   GLU  27           HA       GLU  27  -3.748  -9.133 -10.839
  201   1HB   GLU  27          HB2       GLU  27  -5.440  -9.950 -12.543
  202   2HB   GLU  27          HB3       GLU  27  -5.681  -8.268 -13.028
  203   1HG   GLU  27          HG2       GLU  27  -3.260  -8.143 -13.651
  204   2HG   GLU  27          HG3       GLU  27  -3.049  -9.813 -13.129
  205    H    VAL  28           H        VAL  28  -2.205  -7.584 -11.286
  206    HA   VAL  28           HA       VAL  28  -2.968  -4.702 -11.257
  207    HB   VAL  28           HB       VAL  28  -1.183  -6.243  -9.333
  208   1HG1  VAL  28          HG11      VAL  28   0.115  -4.254  -9.990
  209   2HG1  VAL  28          HG12      VAL  28  -1.266  -3.218  -9.624
  210   3HG1  VAL  28          HG13      VAL  28  -0.464  -4.133  -8.329
  211   1HG2  VAL  28          HG21      VAL  28  -3.532  -6.039  -8.643
  212   2HG2  VAL  28          HG22      VAL  28  -2.528  -4.997  -7.632
  213   3HG2  VAL  28          HG23      VAL  28  -3.503  -4.294  -8.939
  214    H    ALA  29           H        ALA  29  -0.595  -7.272 -12.152
  215    HA   ALA  29           HA       ALA  29   0.244  -5.629 -14.383
  216   1HB   ALA  29          HB1       ALA  29   2.265  -6.381 -12.201
  217   2HB   ALA  29          HB2       ALA  29   2.680  -5.746 -13.800
  218   3HB   ALA  29          HB3       ALA  29   1.782  -4.740 -12.662
  219    H    ILE  30           H        ILE  30   2.135  -6.964 -15.485
  220    HA   ILE  30           HA       ILE  30   1.772  -9.885 -15.142
  221    HB   ILE  30           HB       ILE  30   1.496  -8.331 -17.747
  222   1HG1  ILE  30          HG12      ILE  30  -0.337 -10.424 -16.479
  223   2HG1  ILE  30          HG13      ILE  30  -0.576  -8.690 -16.344
  224   1HG2  ILE  30          HG21      ILE  30   1.467 -10.518 -18.931
  225   2HG2  ILE  30          HG22      ILE  30   3.005 -10.291 -18.139
  226   3HG2  ILE  30          HG23      ILE  30   1.793 -11.357 -17.401
  227   1HD1  ILE  30          HD11      ILE  30  -2.051  -9.500 -18.030
  228   2HD1  ILE  30          HD12      ILE  30  -0.810  -8.502 -18.806
  229   3HD1  ILE  30          HD13      ILE  30  -0.738 -10.281 -18.919
  230    H    LEU  31           H        LEU  31   3.656 -10.975 -15.537
  231    HA   LEU  31           HA       LEU  31   6.169  -9.390 -15.849
  232   1HB   LEU  31          HB2       LEU  31   5.783 -10.033 -13.575
  233   2HB   LEU  31          HB3       LEU  31   5.353 -11.687 -14.011
  234    HG   LEU  31           HG       LEU  31   7.507 -11.353 -12.849
  235   1HD1  LEU  31          HD11      LEU  31   7.936 -12.611 -15.569
  236   2HD1  LEU  31          HD12      LEU  31   8.789 -12.949 -14.058
  237   3HD1  LEU  31          HD13      LEU  31   7.077 -13.369 -14.226
  238   1HD2  LEU  31          HD21      LEU  31   8.082  -9.223 -14.097
  239   2HD2  LEU  31          HD22      LEU  31   9.397 -10.380 -13.827
  240   3HD2  LEU  31          HD23      LEU  31   8.626 -10.260 -15.430
  241    H    GLU  32           H        GLU  32   7.444 -10.113 -17.491
  242    HA   GLU  32           HA       GLU  32   6.798 -12.665 -18.876
  243   1HB   GLU  32          HB2       GLU  32   6.775 -10.622 -20.267
  244   2HB   GLU  32          HB3       GLU  32   8.417 -10.226 -19.740
  245   1HG   GLU  32          HG2       GLU  32   9.197 -12.409 -20.755
  246   2HG   GLU  32          HG3       GLU  32   7.560 -12.673 -21.349
  247    H    SER  33           H        SER  33   8.175 -14.326 -18.446
  248    HA   SER  33           HA       SER  33  10.983 -14.073 -18.213
  249   1HB   SER  33          HB2       SER  33  10.248 -13.256 -15.881
  250   2HB   SER  33          HB3       SER  33   9.643 -14.893 -15.594
  251    HG   SER  33           HG       SER  33  11.888 -14.201 -14.971
  252    H    MET  34           H        MET  34  11.872 -16.359 -17.659
  253    HA   MET  34           HA       MET  34  11.961 -18.561 -18.235
  254   1HB   MET  34          HB2       MET  34   9.180 -18.591 -16.999
  255   2HB   MET  34          HB3       MET  34  10.249 -19.979 -17.174
  256   1HG   MET  34          HG2       MET  34  11.832 -19.105 -15.616
  257   2HG   MET  34          HG3       MET  34  11.052 -17.528 -15.559
  258   1HE   MET  34          HE1       MET  34   8.042 -17.840 -15.127
  259   2HE   MET  34          HE2       MET  34   7.951 -17.948 -13.359
  260   3HE   MET  34          HE3       MET  34   9.097 -16.826 -14.118
  261    H    LYS  35           H        LYS  35  11.061 -16.831 -20.362
  262    HA   LYS  35           HA       LYS  35  10.043 -16.712 -22.359
  263   1HB   LYS  35          HB2       LYS  35  10.341 -19.740 -22.363
  264   2HB   LYS  35          HB3       LYS  35  10.054 -18.715 -23.772
  265   1HG   LYS  35          HG2       LYS  35  12.205 -17.534 -23.363
  266   2HG   LYS  35          HG3       LYS  35  12.529 -18.621 -21.997
  267   1HD   LYS  35          HD2       LYS  35  12.450 -20.573 -23.523
  268   2HD   LYS  35          HD3       LYS  35  12.139 -19.486 -24.895
  269   1HE   LYS  35          HE2       LYS  35  14.297 -18.328 -24.462
  270   2HE   LYS  35          HE3       LYS  35  14.607 -19.411 -23.098
  271   1HZ   LYS  35          HZ1       LYS  35  14.360 -20.263 -25.927
  272   2HZ   LYS  35          HZ2       LYS  35  15.751 -20.144 -25.090
  273   3HZ   LYS  35          HZ3       LYS  35  14.649 -21.264 -24.666
  274    H    MET  36           H        MET  36   8.251 -16.674 -20.127
  275    HA   MET  36           HA       MET  36   5.719 -17.369 -21.470
  276   1HB   MET  36          HB2       MET  36   6.525 -18.141 -18.620
  277   2HB   MET  36          HB3       MET  36   4.865 -18.158 -19.217
  278   1HG   MET  36          HG2       MET  36   5.486 -19.814 -20.943
  279   2HG   MET  36          HG3       MET  36   7.133 -19.850 -20.308
  280   1HE   MET  36          HE1       MET  36   5.808 -23.355 -19.265
  281   2HE   MET  36          HE2       MET  36   5.451 -22.461 -20.760
  282   3HE   MET  36          HE3       MET  36   7.096 -22.443 -20.084
  283    H    GLU  37           H        GLU  37   3.910 -16.304 -20.039
  284    HA   GLU  37           HA       GLU  37   4.854 -13.803 -18.761
  285   1HB   GLU  37          HB2       GLU  37   2.332 -14.069 -20.449
  286   2HB   GLU  37          HB3       GLU  37   2.826 -12.681 -19.491
  287   1HG   GLU  37          HG2       GLU  37   3.437 -12.032 -21.619
  288   2HG   GLU  37          HG3       GLU  37   4.957 -12.590 -20.935
  289    H    ILE  38           H        ILE  38   3.865 -13.430 -16.800
  290    HA   ILE  38           HA       ILE  38   2.020 -15.502 -15.745
  291    HB   ILE  38           HB       ILE  38   4.530 -14.417 -14.361
  292   1HG1  ILE  38          HG12      ILE  38   5.100 -17.047 -14.557
  293   2HG1  ILE  38          HG13      ILE  38   4.132 -16.927 -16.012
  294   1HG2  ILE  38          HG21      ILE  38   2.749 -15.064 -12.797
  295   2HG2  ILE  38          HG22      ILE  38   2.568 -16.639 -13.611
  296   3HG2  ILE  38          HG23      ILE  38   4.047 -16.250 -12.727
  297   1HD1  ILE  38          HD11      ILE  38   6.500 -16.671 -16.526
  298   2HD1  ILE  38          HD12      ILE  38   5.744 -15.100 -16.801
  299   3HD1  ILE  38          HD13      ILE  38   6.677 -15.385 -15.322
  300    HA   PRO  39           HA       PRO  39   0.103 -11.628 -14.484
  301   1HB   PRO  39          HB2       PRO  39  -1.775 -12.530 -12.687
  302   2HB   PRO  39          HB3       PRO  39  -1.934 -12.711 -14.463
  303   1HG   PRO  39          HG2       PRO  39  -0.925 -14.754 -12.464
  304   2HG   PRO  39          HG3       PRO  39  -2.118 -14.988 -13.782
  305   1HD   PRO  39          HD2       PRO  39   0.499 -15.669 -14.070
  306   2HD   PRO  39          HD3       PRO  39  -0.427 -14.978 -15.433
  307    H    ILE  40           H        ILE  40   0.145 -10.197 -12.749
  308    HA   ILE  40           HA       ILE  40   1.381 -11.056 -10.180
  309    HB   ILE  40           HB       ILE  40   1.807  -8.500 -11.762
  310   1HG1  ILE  40          HG12      ILE  40   3.164 -10.334 -12.679
  311   2HG1  ILE  40          HG13      ILE  40   4.100  -9.011 -12.017
  312   1HG2  ILE  40          HG21      ILE  40   3.415  -7.904  -9.935
  313   2HG2  ILE  40          HG22      ILE  40   1.722  -7.883  -9.450
  314   3HG2  ILE  40          HG23      ILE  40   2.761  -9.242  -8.975
  315   1HD1  ILE  40          HD11      ILE  40   5.109 -11.154 -11.438
  316   2HD1  ILE  40          HD12      ILE  40   4.587 -10.327  -9.974
  317   3HD1  ILE  40          HD13      ILE  40   3.627 -11.682 -10.621
  318    H    VAL  41           H        VAL  41   0.223 -10.334  -8.439
  319    HA   VAL  41           HA       VAL  41  -2.324  -8.913  -9.005
  320    HB   VAL  41           HB       VAL  41  -3.259 -10.458  -7.207
  321   1HG1  VAL  41          HG11      VAL  41  -2.345 -11.729  -9.819
  322   2HG1  VAL  41          HG12      VAL  41  -3.584 -12.382  -8.722
  323   3HG1  VAL  41          HG13      VAL  41  -3.857 -10.839  -9.513
  324   1HG2  VAL  41          HG21      VAL  41  -2.182 -12.559  -6.737
  325   2HG2  VAL  41          HG22      VAL  41  -0.826 -12.185  -7.812
  326   3HG2  VAL  41          HG23      VAL  41  -1.058 -11.263  -6.302
  327    H    ALA  42           H        ALA  42  -3.338  -7.984  -7.124
  328    HA   ALA  42           HA       ALA  42  -1.668  -6.354  -5.457
  329   1HB   ALA  42          HB1       ALA  42  -3.837  -5.892  -4.316
  330   2HB   ALA  42          HB2       ALA  42  -4.028  -5.801  -6.079
  331   3HB   ALA  42          HB3       ALA  42  -4.575  -7.234  -5.208
  332    H    ASP  43           H        ASP  43  -0.332  -7.319  -3.948
  333    HA   ASP  43           HA       ASP  43  -0.950  -9.821  -2.658
  334   1HB   ASP  43          HB2       ASP  43   1.350  -8.961  -3.031
  335   2HB   ASP  43          HB3       ASP  43   1.047  -7.671  -1.867
  336    H    ARG  44           H        ARG  44  -2.022  -6.578  -2.084
  337    HA   ARG  44           HA       ARG  44  -3.775  -7.471   0.011
  338   1HB   ARG  44          HB2       ARG  44  -3.160  -5.699   1.636
  339   2HB   ARG  44          HB3       ARG  44  -1.935  -6.946   1.447
  340   1HG   ARG  44          HG2       ARG  44  -0.733  -5.311  -0.183
  341   2HG   ARG  44          HG3       ARG  44  -1.886  -4.098   0.350
  342   1HD   ARG  44          HD2       ARG  44   0.348  -3.998   1.494
  343   2HD   ARG  44          HD3       ARG  44  -1.030  -4.137   2.590
  344    HE   ARG  44           HE       ARG  44  -0.186  -6.065   3.399
  345   1HH1  ARG  44          HH21      ARG  44   1.631  -5.603   0.322
  346   2HH1  ARG  44          HH22      ARG  44   1.967  -7.323   0.219
  347   1HH2  ARG  44          HH11      ARG  44   0.563  -8.280   3.216
  348   2HH2  ARG  44          HH12      ARG  44   1.446  -8.731   1.774
  349    H    SER  45           H        SER  45  -5.516  -5.898   0.317
  350    HA   SER  45           HA       SER  45  -6.155  -4.332  -1.995
  351   1HB   SER  45          HB2       SER  45  -7.411  -4.218   0.779
  352   2HB   SER  45          HB3       SER  45  -8.186  -3.869  -0.770
  353    HG   SER  45           HG       SER  45  -8.622  -5.992   0.185
  354    H    GLY  46           H        GLY  46  -6.530  -1.980  -2.033
  355   1HA   GLY  46          HA2       GLY  46  -6.367  -0.194  -0.003
  356   2HA   GLY  46          HA3       GLY  46  -4.662  -0.391  -0.418
  357    H    ILE  47           H        ILE  47  -5.412   2.058  -0.702
  358    HA   ILE  47           HA       ILE  47  -6.151   2.589  -3.522
  359    HB   ILE  47           HB       ILE  47  -5.534   4.370  -1.136
  360   1HG1  ILE  47          HG12      ILE  47  -7.808   3.370  -1.175
  361   2HG1  ILE  47          HG13      ILE  47  -7.801   5.122  -1.258
  362   1HG2  ILE  47          HG21      ILE  47  -5.983   5.223  -4.021
  363   2HG2  ILE  47          HG22      ILE  47  -6.124   6.316  -2.624
  364   3HG2  ILE  47          HG23      ILE  47  -4.578   5.553  -2.987
  365   1HD1  ILE  47          HD11      ILE  47  -8.248   3.272  -3.642
  366   2HD1  ILE  47          HD12      ILE  47  -9.497   4.158  -2.748
  367   3HD1  ILE  47          HD13      ILE  47  -8.294   5.050  -3.683
  368    H    VAL  48           H        VAL  48  -4.607   3.018  -5.010
  369    HA   VAL  48           HA       VAL  48  -1.828   2.357  -4.532
  370    HB   VAL  48           HB       VAL  48  -3.253   3.624  -6.891
  371   1HG1  VAL  48          HG11      VAL  48  -0.479   2.348  -6.687
  372   2HG1  VAL  48          HG12      VAL  48  -1.286   2.804  -8.200
  373   3HG1  VAL  48          HG13      VAL  48  -0.830   4.045  -7.031
  374   1HG2  VAL  48          HG21      VAL  48  -4.172   1.404  -6.434
  375   2HG2  VAL  48          HG22      VAL  48  -3.149   1.335  -7.861
  376   3HG2  VAL  48          HG23      VAL  48  -2.544   0.716  -6.309
  377    H    LYS  49           H        LYS  49  -0.437   3.737  -3.526
  378    HA   LYS  49           HA       LYS  49  -1.033   6.639  -3.405
  379   1HB   LYS  49          HB2       LYS  49  -0.378   5.581  -1.350
  380   2HB   LYS  49          HB3       LYS  49   1.060   4.864  -2.092
  381   1HG   LYS  49          HG2       LYS  49   2.047   7.109  -2.373
  382   2HG   LYS  49          HG3       LYS  49   0.595   7.843  -1.645
  383   1HD   LYS  49          HD2       LYS  49   0.993   6.638   0.451
  384   2HD   LYS  49          HD3       LYS  49   2.324   5.733  -0.284
  385   1HE   LYS  49          HE2       LYS  49   3.496   7.969  -0.668
  386   2HE   LYS  49          HE3       LYS  49   2.245   8.708   0.349
  387   1HZ   LYS  49          HZ1       LYS  49   4.110   6.544   1.145
  388   2HZ   LYS  49          HZ2       LYS  49   4.177   8.109   1.662
  389   3HZ   LYS  49          HZ3       LYS  49   2.921   7.139   2.111
  390    H    GLU  50           H        GLU  50   1.554   4.347  -4.582
  391    HA   GLU  50           HA       GLU  50   2.048   6.158  -6.827
  392   1HB   GLU  50          HB2       GLU  50   3.386   7.176  -4.975
  393   2HB   GLU  50          HB3       GLU  50   4.251   5.651  -4.764
  394   1HG   GLU  50          HG2       GLU  50   5.218   5.828  -6.983
  395   2HG   GLU  50          HG3       GLU  50   4.168   7.189  -7.397
  396    H    VAL  51           H        VAL  51   2.592   4.912  -8.568
  397    HA   VAL  51           HA       VAL  51   3.238   2.062  -8.187
  398    HB   VAL  51           HB       VAL  51   2.978   3.626 -10.791
  399   1HG1  VAL  51          HG11      VAL  51   2.426   1.409 -11.739
  400   2HG1  VAL  51          HG12      VAL  51   4.028   1.381 -10.996
  401   3HG1  VAL  51          HG13      VAL  51   2.644   0.651 -10.149
  402   1HG2  VAL  51          HG21      VAL  51   0.787   2.154  -9.258
  403   2HG2  VAL  51          HG22      VAL  51   0.836   3.899  -9.600
  404   3HG2  VAL  51          HG23      VAL  51   0.650   2.759 -10.925
  405    H    LYS  52           H        LYS  52   5.313   1.235  -8.561
  406    HA   LYS  52           HA       LYS  52   7.470   3.303  -8.583
  407   1HB   LYS  52          HB2       LYS  52   7.401   0.499  -7.401
  408   2HB   LYS  52          HB3       LYS  52   8.735   1.634  -7.254
  409   1HG   LYS  52          HG2       LYS  52   5.959   2.088  -6.087
  410   2HG   LYS  52          HG3       LYS  52   7.339   1.424  -5.222
  411   1HD   LYS  52          HD2       LYS  52   8.581   3.545  -5.578
  412   2HD   LYS  52          HD3       LYS  52   7.137   4.234  -6.380
  413   1HE   LYS  52          HE2       LYS  52   5.796   3.882  -4.383
  414   2HE   LYS  52          HE3       LYS  52   7.123   3.026  -3.585
  415   1HZ   LYS  52          HZ1       LYS  52   7.135   5.900  -4.302
  416   2HZ   LYS  52          HZ2       LYS  52   6.909   5.248  -2.800
  417   3HZ   LYS  52          HZ3       LYS  52   8.365   5.095  -3.550
  418    H    LYS  53           H        LYS  53   6.153   1.378 -10.865
  419    HA   LYS  53           HA       LYS  53   8.700   0.930 -12.266
  420   1HB   LYS  53          HB2       LYS  53   6.613  -1.249 -11.788
  421   2HB   LYS  53          HB3       LYS  53   7.972  -1.381 -12.902
  422   1HG   LYS  53          HG2       LYS  53   8.271  -1.090  -9.896
  423   2HG   LYS  53          HG3       LYS  53   8.302  -2.612 -10.777
  424   1HD   LYS  53          HD2       LYS  53  10.246  -1.910 -12.082
  425   2HD   LYS  53          HD3       LYS  53  10.262  -0.323 -11.312
  426   1HE   LYS  53          HE2       LYS  53  10.618  -2.967  -9.835
  427   2HE   LYS  53          HE3       LYS  53  11.938  -1.946 -10.401
  428   1HZ   LYS  53          HZ1       LYS  53  11.070  -0.182  -8.938
  429   2HZ   LYS  53          HZ2       LYS  53   9.917  -1.234  -8.370
  430   3HZ   LYS  53          HZ3       LYS  53  11.491  -1.572  -8.129
  431    H    LYS  54           H        LYS  54   7.907  -0.100 -14.573
  432    HA   LYS  54           HA       LYS  54   5.407   1.099 -15.483
  433   1HB   LYS  54          HB2       LYS  54   6.447   2.387 -17.277
  434   2HB   LYS  54          HB3       LYS  54   6.962   2.991 -15.704
  435   1HG   LYS  54          HG2       LYS  54   9.133   1.793 -15.949
  436   2HG   LYS  54          HG3       LYS  54   8.612   1.174 -17.528
  437   1HD   LYS  54          HD2       LYS  54   8.418   3.495 -18.376
  438   2HD   LYS  54          HD3       LYS  54   8.952   4.114 -16.796
  439   1HE   LYS  54          HE2       LYS  54  11.092   2.868 -17.038
  440   2HE   LYS  54          HE3       LYS  54  10.560   2.252 -18.607
  441   1HZ   LYS  54          HZ1       LYS  54  12.003   4.167 -18.852
  442   2HZ   LYS  54          HZ2       LYS  54  10.523   4.540 -19.418
  443   3HZ   LYS  54          HZ3       LYS  54  11.014   5.110 -17.966
  444    H    GLU  55           H        GLU  55   4.980   0.436 -17.738
  445    HA   GLU  55           HA       GLU  55   5.260  -2.318 -18.083
  446   1HB   GLU  55          HB2       GLU  55   4.772  -0.279 -20.302
  447   2HB   GLU  55          HB3       GLU  55   4.370  -1.992 -20.308
  448   1HG   GLU  55          HG2       GLU  55   2.315  -1.212 -19.769
  449   2HG   GLU  55          HG3       GLU  55   2.948  -1.325 -18.134
  450    H    GLY  56           H        GLY  56   6.806  -3.596 -18.862
  451   1HA   GLY  56          HA2       GLY  56   8.499  -4.380 -20.182
  452   2HA   GLY  56          HA3       GLY  56   8.690  -2.787 -20.923
  453    H    ASP  57           H        ASP  57   8.830  -2.228 -17.575
  454    HA   ASP  57           HA       ASP  57  11.686  -1.800 -17.697
  455   1HB   ASP  57          HB2       ASP  57  10.063  -0.417 -16.377
  456   2HB   ASP  57          HB3       ASP  57   9.879  -1.770 -15.255
  457    H    PHE  58           H        PHE  58  13.254  -2.772 -16.219
  458    HA   PHE  58           HA       PHE  58  13.067  -5.693 -16.030
  459   1HB   PHE  58          HB2       PHE  58  15.206  -4.570 -16.509
  460   2HB   PHE  58          HB3       PHE  58  15.084  -3.656 -15.013
  461    HD1  PHE  58           HD1      PHE  58  15.663  -4.652 -12.859
  462    HD2  PHE  58           HD2      PHE  58  15.716  -7.016 -16.470
  463    HE1  PHE  58           HE1      PHE  58  16.952  -6.422 -11.689
  464    HE2  PHE  58           HE2      PHE  58  16.993  -8.784 -15.292
  465    HZ   PHE  58           HZ       PHE  58  17.640  -8.478 -12.912
  466    H    VAL  59           H        VAL  59  12.763  -6.881 -14.098
  467    HA   VAL  59           HA       VAL  59  12.376  -5.448 -11.568
  468    HB   VAL  59           HB       VAL  59  10.265  -6.859 -11.206
  469   1HG1  VAL  59          HG11      VAL  59  10.268  -4.420 -11.308
  470   2HG1  VAL  59          HG12      VAL  59  10.053  -4.473 -13.075
  471   3HG1  VAL  59          HG13      VAL  59   8.787  -5.096 -12.002
  472   1HG2  VAL  59          HG21      VAL  59  10.087  -6.745 -14.244
  473   2HG2  VAL  59          HG22      VAL  59  10.361  -8.213 -13.277
  474   3HG2  VAL  59          HG23      VAL  59   8.838  -7.309 -13.122
  475    H    ASN  60           H        ASN  60  12.187  -7.007  -9.736
  476    HA   ASN  60           HA       ASN  60  13.493  -9.561 -10.271
  477   1HB   ASN  60          HB2       ASN  60  15.093  -7.342  -9.808
  478   2HB   ASN  60          HB3       ASN  60  14.892  -7.996  -8.182
  479   1HD2  ASN  60          HD22      ASN  60  15.554  -9.008 -11.583
  480   2HD2  ASN  60          HD21      ASN  60  16.698 -10.268 -11.165
  481    H    GLU  61           H        GLU  61  13.938 -10.754  -8.211
  482    HA   GLU  61           HA       GLU  61  11.501 -11.088  -6.771
  483   1HB   GLU  61          HB2       GLU  61  13.050 -12.904  -7.216
  484   2HB   GLU  61          HB3       GLU  61  14.349 -12.090  -6.354
  485   1HG   GLU  61          HG2       GLU  61  12.982 -12.276  -4.233
  486   2HG   GLU  61          HG3       GLU  61  11.739 -13.128  -5.146
  487    H    GLY  62           H        GLY  62  10.708  -9.653  -5.347
  488   1HA   GLY  62          HA2       GLY  62  10.642  -8.669  -3.251
  489   2HA   GLY  62          HA3       GLY  62  12.409  -8.596  -3.182
  490    H    ASP  63           H        ASP  63  11.489  -7.494  -6.292
  491    HA   ASP  63           HA       ASP  63  12.228  -4.784  -5.550
  492   1HB   ASP  63          HB2       ASP  63  12.919  -6.070  -7.651
  493   2HB   ASP  63          HB3       ASP  63  11.281  -5.809  -8.250
  494    H    VAL  64           H        VAL  64  10.804  -3.113  -5.160
  495    HA   VAL  64           HA       VAL  64   8.072  -3.757  -4.670
  496    HB   VAL  64           HB       VAL  64   9.401  -1.016  -4.773
  497   1HG1  VAL  64          HG11      VAL  64   6.841  -1.983  -3.418
  498   2HG1  VAL  64          HG12      VAL  64   7.569  -0.375  -3.200
  499   3HG1  VAL  64          HG13      VAL  64   6.939  -0.853  -4.778
  500   1HG2  VAL  64          HG21      VAL  64  10.583  -2.463  -3.162
  501   2HG2  VAL  64          HG22      VAL  64   9.597  -1.284  -2.297
  502   3HG2  VAL  64          HG23      VAL  64   9.036  -2.964  -2.447
  503    H    LEU  65           H        LEU  65   6.296  -3.553  -5.896
  504    HA   LEU  65           HA       LEU  65   6.538  -2.592  -8.693
  505   1HB   LEU  65          HB2       LEU  65   5.537  -4.794  -8.390
  506   2HB   LEU  65          HB3       LEU  65   4.409  -4.175  -7.186
  507    HG   LEU  65           HG       LEU  65   3.284  -2.786  -8.903
  508   1HD1  LEU  65          HD11      LEU  65   5.065  -2.302 -10.452
  509   2HD1  LEU  65          HD12      LEU  65   5.271  -4.026 -10.830
  510   3HD1  LEU  65          HD13      LEU  65   3.786  -3.161 -11.303
  511   1HD2  LEU  65          HD21      LEU  65   2.465  -5.056  -8.471
  512   2HD2  LEU  65          HD22      LEU  65   2.285  -4.643 -10.187
  513   3HD2  LEU  65          HD23      LEU  65   3.601  -5.704  -9.672
  514    H    LEU  66           H        LEU  66   4.645  -2.085  -5.615
  515    HA   LEU  66           HA       LEU  66   4.391   0.703  -6.332
  516   1HB   LEU  66          HB2       LEU  66   2.049   0.940  -6.369
  517   2HB   LEU  66          HB3       LEU  66   2.514  -0.136  -7.663
  518    HG   LEU  66           HG       LEU  66   1.490  -1.271  -5.026
  519   1HD1  LEU  66          HD11      LEU  66  -0.139   0.385  -5.659
  520   2HD1  LEU  66          HD12      LEU  66  -0.140  -0.160  -7.347
  521   3HD1  LEU  66          HD13      LEU  66  -0.779  -1.211  -6.070
  522   1HD2  LEU  66          HD21      LEU  66   0.658  -3.074  -6.484
  523   2HD2  LEU  66          HD22      LEU  66   1.249  -2.221  -7.924
  524   3HD2  LEU  66          HD23      LEU  66   2.394  -2.868  -6.727
  525    H    GLU  67           H        GLU  67   3.204   1.949  -4.726
  526    HA   GLU  67           HA       GLU  67   3.393   0.853  -1.967
  527   1HB   GLU  67          HB2       GLU  67   5.192   2.490  -2.586
  528   2HB   GLU  67          HB3       GLU  67   3.939   3.684  -2.974
  529   1HG   GLU  67          HG2       GLU  67   3.156   3.495  -0.580
  530   2HG   GLU  67          HG3       GLU  67   4.533   2.429  -0.267
  531    H    LEU  68           H        LEU  68   1.665   1.467  -0.621
  532    HA   LEU  68           HA       LEU  68  -0.789   2.461  -2.025
  533   1HB   LEU  68          HB2       LEU  68  -0.549   0.413   0.216
  534   2HB   LEU  68          HB3       LEU  68  -2.036   0.932  -0.569
  535    HG   LEU  68           HG       LEU  68   0.202  -0.677  -1.866
  536   1HD1  LEU  68          HD11      LEU  68  -1.423  -2.511  -1.850
  537   2HD1  LEU  68          HD12      LEU  68  -1.135  -1.920  -0.204
  538   3HD1  LEU  68          HD13      LEU  68  -2.626  -1.473  -1.063
  539   1HD2  LEU  68          HD21      LEU  68  -2.483   0.209  -3.013
  540   2HD2  LEU  68          HD22      LEU  68  -0.862   0.733  -3.536
  541   3HD2  LEU  68          HD23      LEU  68  -1.353  -0.941  -3.763
  542    H    SER  69           H        SER  69  -2.319   3.561  -0.609
  543    HA   SER  69           HA       SER  69  -1.228   5.329   1.315
  544   1HB   SER  69          HB2       SER  69  -4.043   4.226   1.005
  545   2HB   SER  69          HB3       SER  69  -3.598   5.686   1.928
  546    HG   SER  69           HG       SER  69  -4.238   6.296  -0.134
  547    H    ASN  70           H        ASN  70  -2.556   2.029   1.656
  548    HA   ASN  70           HA       ASN  70  -2.443   1.756   4.470
  549   1HB   ASN  70          HB2       ASN  70  -3.550   0.133   3.001
  550   2HB   ASN  70          HB3       ASN  70  -2.010  -0.278   2.237
  551   1HD2  ASN  70          HD22      ASN  70  -3.735  -0.367   5.417
  552   2HD2  ASN  70          HD21      ASN  70  -2.843  -1.734   6.022
  553    H    SER  71           H        SER  71   0.237   1.855   2.129
  554    HA   SER  71           HA       SER  71   2.155   0.501   3.850
  555   1HB   SER  71          HB2       SER  71   2.670   2.359   1.501
  556   2HB   SER  71          HB3       SER  71   3.769   1.163   2.183
  557    HG   SER  71           HG       SER  71   1.410  -0.007   1.517
  558    H    THR  72           H        THR  72   0.752   3.702   3.764
  559    HA   THR  72           HA       THR  72   3.052   4.999   5.072
  560    HB   THR  72           HB       THR  72   0.223   6.036   4.589
  561    HG1  THR  72           HG1      THR  72   1.231   5.468   2.647
  562   1HG2  THR  72          HG21      THR  72   2.871   7.474   5.086
  563   2HG2  THR  72          HG22      THR  72   1.321   8.253   4.691
  564   3HG2  THR  72          HG23      THR  72   1.502   7.377   6.218
  565    H    GLN  73           H        GLN  73   3.187   5.235   7.307
  566    HA   GLN  73           HA       GLN  73   0.963   4.481   9.070
  567   1HB   GLN  73          HB2       GLN  73   3.706   3.133   9.075
  568   2HB   GLN  73          HB3       GLN  73   2.554   3.033  10.398
  569   1HG   GLN  73          HG2       GLN  73   1.989   1.976   7.591
  570   2HG   GLN  73          HG3       GLN  73   2.652   1.022   8.902
  571   1HE2  GLN  73          HE22      GLN  73  -0.253   2.728   7.790
  572   2HE2  GLN  73          HE21      GLN  73  -1.369   1.941   8.900
  Start of MODEL   16
    1   1H    THR   2          H1        THR   2   2.196  -1.925   0.611
    2   2H    THR   2          H2        THR   2   3.331  -2.806   1.402
    3   3H    THR   2          H3        THR   2   3.480  -1.174   1.334
    4    HA   THR   2           HA       THR   2   3.724  -1.287  -1.074
    5    HB   THR   2           HB       THR   2   5.793  -2.853   0.522
    6    HG1  THR   2           HG1      THR   2   6.542  -0.862   1.123
    7   1HG2  THR   2          HG21      THR   2   7.417  -1.683  -0.961
    8   2HG2  THR   2          HG22      THR   2   6.365  -2.766  -1.876
    9   3HG2  THR   2          HG23      THR   2   6.065  -1.008  -1.896
   10    H    VAL   3           H        VAL   3   3.978  -2.627  -2.988
   11    HA   VAL   3           HA       VAL   3   3.466  -5.536  -2.630
   12    HB   VAL   3           HB       VAL   3   2.155  -3.779  -4.728
   13   1HG1  VAL   3          HG11      VAL   3   1.696  -6.699  -3.987
   14   2HG1  VAL   3          HG12      VAL   3   0.798  -5.783  -5.227
   15   3HG1  VAL   3          HG13      VAL   3   2.510  -6.114  -5.455
   16   1HG2  VAL   3          HG21      VAL   3  -0.022  -4.243  -3.613
   17   2HG2  VAL   3          HG22      VAL   3   0.861  -4.953  -2.238
   18   3HG2  VAL   3          HG23      VAL   3   1.041  -3.231  -2.641
   19    H    SER   4           H        SER   4   4.727  -6.761  -4.040
   20    HA   SER   4           HA       SER   4   6.680  -5.352  -5.789
   21   1HB   SER   4          HB2       SER   4   7.269  -7.390  -3.602
   22   2HB   SER   4          HB3       SER   4   8.460  -6.609  -4.644
   23    HG   SER   4           HG       SER   4   8.250  -5.637  -2.543
   24    H    ILE   5           H        ILE   5   7.815  -6.750  -7.227
   25    HA   ILE   5           HA       ILE   5   6.185  -8.888  -8.369
   26    HB   ILE   5           HB       ILE   5   8.998  -7.903  -9.071
   27   1HG1  ILE   5          HG12      ILE   5   7.594  -7.019 -11.151
   28   2HG1  ILE   5          HG13      ILE   5   6.245  -7.032 -10.032
   29   1HG2  ILE   5          HG21      ILE   5   8.545 -10.179  -9.930
   30   2HG2  ILE   5          HG22      ILE   5   7.040  -9.601 -10.688
   31   3HG2  ILE   5          HG23      ILE   5   8.627  -9.021 -11.236
   32   1HD1  ILE   5          HD11      ILE   5   8.873  -5.520  -9.623
   33   2HD1  ILE   5          HD12      ILE   5   7.382  -4.823 -10.292
   34   3HD1  ILE   5          HD13      ILE   5   7.421  -5.377  -8.618
   35    H    GLN   6           H        GLN   6   6.819 -11.153  -8.334
   36    HA   GLN   6           HA       GLN   6   8.400 -11.805  -5.896
   37   1HB   GLN   6          HB2       GLN   6   6.366 -13.609  -7.219
   38   2HB   GLN   6          HB3       GLN   6   7.059 -13.707  -5.612
   39   1HG   GLN   6          HG2       GLN   6   5.041 -12.849  -5.031
   40   2HG   GLN   6          HG3       GLN   6   5.894 -11.331  -5.273
   41   1HE2  GLN   6          HE22      GLN   6   4.634  -9.853  -6.483
   42   2HE2  GLN   6          HE21      GLN   6   3.477 -10.352  -7.704
   43    H    MET   7           H        MET   7   9.189 -11.722  -9.089
   44    HA   MET   7           HA       MET   7  11.160 -13.817  -8.786
   45   1HB   MET   7          HB2       MET   7  10.561 -15.174 -10.656
   46   2HB   MET   7          HB3       MET   7   9.153 -15.078  -9.615
   47   1HG   MET   7          HG2       MET   7   8.794 -12.956 -11.436
   48   2HG   MET   7          HG3       MET   7   9.545 -14.228 -12.387
   49   1HE   MET   7          HE1       MET   7   6.508 -12.718 -10.915
   50   2HE   MET   7          HE2       MET   7   5.289 -13.990 -10.729
   51   3HE   MET   7          HE3       MET   7   6.643 -13.881  -9.580
   52    H    ALA   8           H        ALA   8  12.689 -13.760 -10.701
   53    HA   ALA   8           HA       ALA   8  13.205 -11.018 -11.554
   54   1HB   ALA   8          HB1       ALA   8  15.023 -12.569 -10.946
   55   2HB   ALA   8          HB2       ALA   8  14.550 -13.639 -12.292
   56   3HB   ALA   8          HB3       ALA   8  15.161 -12.004 -12.629
   57    H    GLY   9           H        GLY   9  12.844 -10.088 -13.542
   58   1HA   GLY   9          HA2       GLY   9  12.510 -11.446 -15.969
   59   2HA   GLY   9          HA3       GLY   9  10.897 -11.296 -15.278
   60    H    ASN  10           H        ASN  10  10.236  -9.882 -16.956
   61    HA   ASN  10           HA       ASN  10  11.146  -7.051 -16.627
   62   1HB   ASN  10          HB2       ASN  10  10.877  -8.646 -19.187
   63   2HB   ASN  10          HB3       ASN  10  10.398  -6.952 -19.168
   64   1HD2  ASN  10          HD22      ASN  10  13.176  -8.034 -17.134
   65   2HD2  ASN  10          HD21      ASN  10  14.373  -7.287 -18.169
   66    H    LEU  11           H        LEU  11   9.444  -5.630 -16.574
   67    HA   LEU  11           HA       LEU  11   6.986  -6.839 -15.695
   68   1HB   LEU  11          HB2       LEU  11   8.258  -4.975 -14.593
   69   2HB   LEU  11          HB3       LEU  11   7.732  -3.909 -15.890
   70    HG   LEU  11           HG       LEU  11   5.343  -4.382 -15.244
   71   1HD1  LEU  11          HD11      LEU  11   6.639  -5.967 -12.980
   72   2HD1  LEU  11          HD12      LEU  11   4.959  -5.403 -12.961
   73   3HD1  LEU  11          HD13      LEU  11   5.468  -6.570 -14.173
   74   1HD2  LEU  11          HD21      LEU  11   6.616  -2.453 -14.373
   75   2HD2  LEU  11          HD22      LEU  11   5.461  -3.035 -13.175
   76   3HD2  LEU  11          HD23      LEU  11   7.176  -3.439 -12.996
   77    H    TRP  12           H        TRP  12   6.357  -7.747 -17.740
   78    HA   TRP  12           HA       TRP  12   6.022  -6.851 -20.181
   79   1HB   TRP  12          HB2       TRP  12   5.264  -9.051 -19.085
   80   2HB   TRP  12          HB3       TRP  12   3.719  -8.272 -18.810
   81    HD1  TRP  12           HD1      TRP  12   6.085  -9.067 -21.696
   82    HE1  TRP  12           HE1      TRP  12   4.784  -9.764 -23.780
   83    HE3  TRP  12           HE3      TRP  12   1.351  -8.331 -19.932
   84    HZ2  TRP  12           HZ2      TRP  12   2.001 -10.031 -24.561
   85    HZ3  TRP  12           HZ3      TRP  12  -0.612  -8.883 -21.337
   86    HH2  TRP  12           HH2      TRP  12  -0.301  -9.725 -23.656
   87    H    LYS  13           H        LYS  13   3.354  -6.253 -17.800
   88    HA   LYS  13           HA       LYS  13   2.726  -3.694 -19.078
   89   1HB   LYS  13          HB2       LYS  13   0.730  -6.000 -18.935
   90   2HB   LYS  13          HB3       LYS  13   0.265  -4.306 -19.144
   91   1HG   LYS  13          HG2       LYS  13   1.654  -4.221 -21.239
   92   2HG   LYS  13          HG3       LYS  13   1.930  -5.964 -21.073
   93   1HD   LYS  13          HD2       LYS  13  -0.567  -6.309 -21.113
   94   2HD   LYS  13          HD3       LYS  13  -0.754  -4.571 -21.432
   95   1HE   LYS  13          HE2       LYS  13   0.677  -4.821 -23.472
   96   2HE   LYS  13          HE3       LYS  13   0.798  -6.558 -23.157
   97   1HZ   LYS  13          HZ1       LYS  13  -0.915  -6.068 -24.782
   98   2HZ   LYS  13          HZ2       LYS  13  -1.612  -6.706 -23.454
   99   3HZ   LYS  13          HZ3       LYS  13  -1.715  -5.099 -23.748
  100    H    VAL  14           H        VAL  14   1.197  -2.460 -17.704
  101    HA   VAL  14           HA       VAL  14   0.937  -3.400 -14.897
  102    HB   VAL  14           HB       VAL  14   2.161  -0.727 -15.736
  103   1HG1  VAL  14          HG11      VAL  14   0.834  -0.419 -13.696
  104   2HG1  VAL  14          HG12      VAL  14   1.575  -1.860 -12.956
  105   3HG1  VAL  14          HG13      VAL  14   2.548  -0.411 -13.279
  106   1HG2  VAL  14          HG21      VAL  14   3.826  -2.522 -15.927
  107   2HG2  VAL  14          HG22      VAL  14   4.169  -1.543 -14.506
  108   3HG2  VAL  14          HG23      VAL  14   3.375  -3.132 -14.319
  109    H    HIS  15           H        HIS  15  -0.954  -2.618 -13.944
  110    HA   HIS  15           HA       HIS  15  -2.807  -1.214 -15.827
  111   1HB   HIS  15          HB2       HIS  15  -3.660  -3.229 -13.764
  112   2HB   HIS  15          HB3       HIS  15  -4.480  -2.740 -15.243
  113    HD1  HIS  15           HD1      HIS  15  -2.228  -3.437 -17.406
  114    HD2  HIS  15           HD2      HIS  15  -3.107  -5.708 -13.978
  115    HE1  HIS  15           HE1      HIS  15  -1.193  -5.747 -17.775
  116    H    VAL  16           H        VAL  16  -1.499  -1.199 -12.573
  117    HA   VAL  16           HA       VAL  16  -3.621   0.433 -11.431
  118    HB   VAL  16           HB       VAL  16  -1.906   0.796  -9.613
  119   1HG1  VAL  16          HG11      VAL  16  -3.646  -0.885  -9.415
  120   2HG1  VAL  16          HG12      VAL  16  -2.692  -2.041 -10.359
  121   3HG1  VAL  16          HG13      VAL  16  -2.136  -1.525  -8.747
  122   1HG2  VAL  16          HG21      VAL  16   0.064  -0.500  -9.463
  123   2HG2  VAL  16          HG22      VAL  16  -0.289  -1.401 -10.953
  124   3HG2  VAL  16          HG23      VAL  16   0.140   0.326 -11.021
  125    H    LYS  17           H        LYS  17  -3.257   2.581 -10.583
  126    HA   LYS  17           HA       LYS  17  -1.145   4.227 -11.653
  127   1HB   LYS  17          HB2       LYS  17  -2.660   5.978 -12.518
  128   2HB   LYS  17          HB3       LYS  17  -2.767   4.500 -13.469
  129   1HG   LYS  17          HG2       LYS  17  -4.887   3.895 -12.335
  130   2HG   LYS  17          HG3       LYS  17  -4.779   5.355 -11.332
  131   1HD   LYS  17          HD2       LYS  17  -4.884   6.765 -13.368
  132   2HD   LYS  17          HD3       LYS  17  -4.998   5.300 -14.372
  133   1HE   LYS  17          HE2       LYS  17  -7.089   4.659 -13.187
  134   2HE   LYS  17          HE3       LYS  17  -6.975   6.116 -12.191
  135   1HZ   LYS  17          HZ1       LYS  17  -7.323   6.090 -15.135
  136   2HZ   LYS  17          HZ2       LYS  17  -8.485   6.427 -14.046
  137   3HZ   LYS  17          HZ3       LYS  17  -7.219   7.437 -14.213
  138    H    ALA  18           H        ALA  18  -1.135   6.300 -10.353
  139    HA   ALA  18           HA       ALA  18  -1.757   5.931  -7.607
  140   1HB   ALA  18          HB1       ALA  18  -1.364   8.521  -9.171
  141   2HB   ALA  18          HB2       ALA  18  -1.324   8.354  -7.406
  142   3HB   ALA  18          HB3       ALA  18  -0.083   7.560  -8.393
  143    H    GLY  19           H        GLY  19  -3.600   6.218  -6.448
  144   1HA   GLY  19          HA2       GLY  19  -5.669   7.082  -5.878
  145   2HA   GLY  19          HA3       GLY  19  -5.863   7.788  -7.488
  146    H    ASP  20           H        ASP  20  -4.895   4.684  -8.218
  147    HA   ASP  20           HA       ASP  20  -7.581   3.694  -8.696
  148   1HB   ASP  20          HB2       ASP  20  -5.520   3.141 -10.092
  149   2HB   ASP  20          HB3       ASP  20  -4.963   2.150  -8.744
  150    H    GLN  21           H        GLN  21  -8.196   1.468  -7.816
  151    HA   GLN  21           HA       GLN  21  -7.380   1.115  -4.967
  152   1HB   GLN  21          HB2       GLN  21  -9.656   2.089  -5.099
  153   2HB   GLN  21          HB3       GLN  21 -10.172   0.750  -6.138
  154   1HG   GLN  21          HG2       GLN  21  -9.717  -0.865  -4.335
  155   2HG   GLN  21          HG3       GLN  21  -9.093   0.416  -3.298
  156   1HE2  GLN  21          HE21      GLN  21 -11.049  -1.242  -2.343
  157   2HE2  GLN  21          HE22      GLN  21 -12.567  -0.389  -2.217
  158    H    ILE  22           H        ILE  22  -7.070  -0.999  -4.346
  159    HA   ILE  22           HA       ILE  22  -7.424  -3.116  -6.370
  160    HB   ILE  22           HB       ILE  22  -5.233  -3.992  -6.050
  161   1HG1  ILE  22          HG12      ILE  22  -4.902  -1.906  -3.860
  162   2HG1  ILE  22          HG13      ILE  22  -4.883  -3.666  -3.705
  163   1HG2  ILE  22          HG21      ILE  22  -3.835  -2.287  -7.047
  164   2HG2  ILE  22          HG22      ILE  22  -5.470  -2.095  -7.673
  165   3HG2  ILE  22          HG23      ILE  22  -4.861  -0.993  -6.420
  166   1HD1  ILE  22          HD11      ILE  22  -2.801  -1.882  -4.956
  167   2HD1  ILE  22          HD12      ILE  22  -2.638  -2.924  -3.528
  168   3HD1  ILE  22          HD13      ILE  22  -2.772  -3.651  -5.142
  169    H    GLU  23           H        GLU  23  -7.396  -5.269  -5.403
  170    HA   GLU  23           HA       GLU  23  -8.126  -5.385  -2.552
  171   1HB   GLU  23          HB2       GLU  23 -10.201  -5.236  -3.846
  172   2HB   GLU  23          HB3       GLU  23  -9.680  -6.584  -4.876
  173   1HG   GLU  23          HG2       GLU  23  -9.706  -8.093  -2.910
  174   2HG   GLU  23          HG3       GLU  23 -10.134  -6.739  -1.861
  175    H    LYS  24           H        LYS  24  -7.303  -7.358  -1.630
  176    HA   LYS  24           HA       LYS  24  -5.031  -8.493  -2.716
  177   1HB   LYS  24          HB2       LYS  24  -5.786  -8.717  -0.378
  178   2HB   LYS  24          HB3       LYS  24  -7.051  -9.847  -0.871
  179   1HG   LYS  24          HG2       LYS  24  -5.432 -11.506  -1.555
  180   2HG   LYS  24          HG3       LYS  24  -4.100 -10.341  -1.429
  181   1HD   LYS  24          HD2       LYS  24  -4.433 -10.197   1.022
  182   2HD   LYS  24          HD3       LYS  24  -5.815 -11.288   0.913
  183   1HE   LYS  24          HE2       LYS  24  -3.828 -12.444   1.738
  184   2HE   LYS  24          HE3       LYS  24  -4.379 -13.140   0.212
  185   1HZ   LYS  24          HZ1       LYS  24  -2.219 -11.119   0.305
  186   2HZ   LYS  24          HZ2       LYS  24  -1.915 -12.731   0.465
  187   3HZ   LYS  24          HZ3       LYS  24  -2.577 -12.154  -0.907
  188    H    GLY  25           H        GLY  25  -4.606  -9.734  -4.461
  189   1HA   GLY  25          HA2       GLY  25  -4.840 -11.640  -5.800
  190   2HA   GLY  25          HA3       GLY  25  -6.539 -11.789  -5.352
  191    H    GLN  26           H        GLN  26  -6.406  -8.558  -6.076
  192    HA   GLN  26           HA       GLN  26  -7.494  -8.791  -8.722
  193   1HB   GLN  26          HB2       GLN  26  -7.895  -6.944  -7.032
  194   2HB   GLN  26          HB3       GLN  26  -6.240  -6.370  -7.343
  195   1HG   GLN  26          HG2       GLN  26  -6.843  -5.932  -9.697
  196   2HG   GLN  26          HG3       GLN  26  -8.462  -6.583  -9.431
  197   1HE2  GLN  26          HE22      GLN  26  -6.704  -3.694  -9.546
  198   2HE2  GLN  26          HE21      GLN  26  -7.748  -2.689  -8.554
  199    H    GLU  27           H        GLU  27  -6.396  -8.712 -10.702
  200    HA   GLU  27           HA       GLU  27  -3.504  -8.963 -10.798
  201   1HB   GLU  27          HB2       GLU  27  -5.095 -10.008 -12.417
  202   2HB   GLU  27          HB3       GLU  27  -5.562  -8.399 -12.978
  203   1HG   GLU  27          HG2       GLU  27  -3.183  -8.014 -13.696
  204   2HG   GLU  27          HG3       GLU  27  -2.783  -9.648 -13.162
  205    H    VAL  28           H        VAL  28  -2.029  -7.331 -10.993
  206    HA   VAL  28           HA       VAL  28  -2.980  -4.548 -11.490
  207    HB   VAL  28           HB       VAL  28  -1.339  -3.834  -9.715
  208   1HG1  VAL  28          HG11      VAL  28  -3.803  -3.881  -9.315
  209   2HG1  VAL  28          HG12      VAL  28  -3.666  -5.543  -8.719
  210   3HG1  VAL  28          HG13      VAL  28  -2.864  -4.224  -7.849
  211   1HG2  VAL  28          HG21      VAL  28  -1.520  -6.714  -8.794
  212   2HG2  VAL  28          HG22      VAL  28  -0.056  -5.966  -9.476
  213   3HG2  VAL  28          HG23      VAL  28  -0.735  -5.382  -7.940
  214    H    ALA  29           H        ALA  29  -0.531  -7.022 -12.089
  215    HA   ALA  29           HA       ALA  29   0.336  -5.451 -14.358
  216   1HB   ALA  29          HB1       ALA  29   2.357  -6.198 -12.177
  217   2HB   ALA  29          HB2       ALA  29   2.766  -5.594 -13.790
  218   3HB   ALA  29          HB3       ALA  29   1.896  -4.553 -12.660
  219    H    ILE  30           H        ILE  30   2.190  -6.844 -15.447
  220    HA   ILE  30           HA       ILE  30   1.808  -9.747 -15.032
  221    HB   ILE  30           HB       ILE  30   1.519  -8.272 -17.682
  222   1HG1  ILE  30          HG12      ILE  30  -0.374 -10.239 -16.308
  223   2HG1  ILE  30          HG13      ILE  30  -0.553  -8.491 -16.264
  224   1HG2  ILE  30          HG21      ILE  30   1.390 -10.522 -18.768
  225   2HG2  ILE  30          HG22      ILE  30   2.958 -10.263 -18.053
  226   3HG2  ILE  30          HG23      ILE  30   1.769 -11.282 -17.213
  227   1HD1  ILE  30          HD11      ILE  30  -0.793  -8.430 -18.734
  228   2HD1  ILE  30          HD12      ILE  30  -0.798 -10.214 -18.744
  229   3HD1  ILE  30          HD13      ILE  30  -2.068  -9.328 -17.893
  230    H    LEU  31           H        LEU  31   3.684 -10.862 -15.535
  231    HA   LEU  31           HA       LEU  31   6.194  -9.279 -15.863
  232   1HB   LEU  31          HB2       LEU  31   5.820  -9.885 -13.584
  233   2HB   LEU  31          HB3       LEU  31   5.357 -11.540 -13.988
  234    HG   LEU  31           HG       LEU  31   7.528 -11.188 -12.833
  235   1HD1  LEU  31          HD11      LEU  31   7.809 -12.618 -15.495
  236   2HD1  LEU  31          HD12      LEU  31   8.772 -12.853 -14.032
  237   3HD1  LEU  31          HD13      LEU  31   7.049 -13.267 -14.038
  238   1HD2  LEU  31          HD21      LEU  31   9.420 -10.320 -13.865
  239   2HD2  LEU  31          HD22      LEU  31   8.670 -10.309 -15.480
  240   3HD2  LEU  31          HD23      LEU  31   8.137  -9.155 -14.245
  241    H    GLU  32           H        GLU  32   7.519 -10.080 -17.455
  242    HA   GLU  32           HA       GLU  32   6.790 -12.628 -18.817
  243   1HB   GLU  32          HB2       GLU  32   6.845 -10.601 -20.225
  244   2HB   GLU  32          HB3       GLU  32   8.502 -10.264 -19.709
  245   1HG   GLU  32          HG2       GLU  32   9.188 -12.492 -20.698
  246   2HG   GLU  32          HG3       GLU  32   7.536 -12.696 -21.280
  247    H    SER  33           H        SER  33   8.112 -14.331 -18.365
  248    HA   SER  33           HA       SER  33  10.930 -14.139 -18.082
  249   1HB   SER  33          HB2       SER  33  10.149 -13.313 -15.769
  250   2HB   SER  33          HB3       SER  33   9.492 -14.933 -15.506
  251    HG   SER  33           HG       SER  33  11.749 -14.275 -14.840
  252    H    MET  34           H        MET  34  11.772 -16.427 -17.555
  253    HA   MET  34           HA       MET  34  11.830 -18.637 -18.106
  254   1HB   MET  34          HB2       MET  34   9.062 -18.593 -16.839
  255   2HB   MET  34          HB3       MET  34  10.095 -20.009 -17.010
  256   1HG   MET  34          HG2       MET  34  11.709 -19.171 -15.476
  257   2HG   MET  34          HG3       MET  34  10.996 -17.562 -15.445
  258   1HE   MET  34          HE1       MET  34   8.008 -17.691 -14.968
  259   2HE   MET  34          HE2       MET  34   7.912 -17.794 -13.200
  260   3HE   MET  34          HE3       MET  34   9.120 -16.739 -13.960
  261    H    LYS  35           H        LYS  35  10.934 -16.931 -20.258
  262    HA   LYS  35           HA       LYS  35   9.893 -16.834 -22.245
  263   1HB   LYS  35          HB2       LYS  35  10.150 -19.865 -22.196
  264   2HB   LYS  35          HB3       LYS  35   9.856 -18.863 -23.621
  265   1HG   LYS  35          HG2       LYS  35  12.029 -17.704 -23.263
  266   2HG   LYS  35          HG3       LYS  35  12.357 -18.769 -21.881
  267   1HD   LYS  35          HD2       LYS  35  12.232 -20.749 -23.368
  268   2HD   LYS  35          HD3       LYS  35  11.915 -19.684 -24.757
  269   1HE   LYS  35          HE2       LYS  35  14.094 -18.547 -24.375
  270   2HE   LYS  35          HE3       LYS  35  14.409 -19.607 -22.997
  271   1HZ   LYS  35          HZ1       LYS  35  15.517 -20.393 -24.988
  272   2HZ   LYS  35          HZ2       LYS  35  14.405 -21.491 -24.528
  273   3HZ   LYS  35          HZ3       LYS  35  14.112 -20.509 -25.804
  274    H    MET  36           H        MET  36   8.137 -16.710 -20.005
  275    HA   MET  36           HA       MET  36   5.567 -17.421 -21.268
  276   1HB   MET  36          HB2       MET  36   6.454 -18.111 -18.424
  277   2HB   MET  36          HB3       MET  36   4.774 -18.131 -18.961
  278   1HG   MET  36          HG2       MET  36   5.315 -19.834 -20.661
  279   2HG   MET  36          HG3       MET  36   6.977 -19.895 -20.079
  280   1HE   MET  36          HE1       MET  36   7.767 -20.926 -17.830
  281   2HE   MET  36          HE2       MET  36   6.754 -19.804 -16.890
  282   3HE   MET  36          HE3       MET  36   6.685 -21.547 -16.565
  283    H    GLU  37           H        GLU  37   3.808 -16.314 -19.822
  284    HA   GLU  37           HA       GLU  37   4.784 -13.767 -18.660
  285   1HB   GLU  37          HB2       GLU  37   2.192 -14.146 -20.216
  286   2HB   GLU  37          HB3       GLU  37   2.676 -12.721 -19.308
  287   1HG   GLU  37          HG2       GLU  37   3.169 -12.115 -21.485
  288   2HG   GLU  37          HG3       GLU  37   4.736 -12.567 -20.824
  289    H    ILE  38           H        ILE  38   3.854 -13.308 -16.685
  290    HA   ILE  38           HA       ILE  38   2.167 -15.398 -15.414
  291    HB   ILE  38           HB       ILE  38   4.717 -14.092 -14.338
  292   1HG1  ILE  38          HG12      ILE  38   5.269 -16.752 -14.231
  293   2HG1  ILE  38          HG13      ILE  38   4.212 -16.770 -15.630
  294   1HG2  ILE  38          HG21      ILE  38   4.448 -15.626 -12.418
  295   2HG2  ILE  38          HG22      ILE  38   3.111 -14.495 -12.535
  296   3HG2  ILE  38          HG23      ILE  38   2.893 -16.181 -13.072
  297   1HD1  ILE  38          HD11      ILE  38   6.502 -16.582 -16.370
  298   2HD1  ILE  38          HD12      ILE  38   5.780 -14.997 -16.665
  299   3HD1  ILE  38          HD13      ILE  38   6.827 -15.245 -15.256
  300    HA   PRO  39           HA       PRO  39   0.130 -11.500 -14.354
  301   1HB   PRO  39          HB2       PRO  39  -1.788 -12.393 -12.617
  302   2HB   PRO  39          HB3       PRO  39  -1.873 -12.661 -14.385
  303   1HG   PRO  39          HG2       PRO  39  -0.887 -14.585 -12.261
  304   2HG   PRO  39          HG3       PRO  39  -2.027 -14.907 -13.606
  305   1HD   PRO  39          HD2       PRO  39   0.636 -15.510 -13.765
  306   2HD   PRO  39          HD3       PRO  39  -0.284 -14.952 -15.194
  307    H    ILE  40           H        ILE  40   0.285 -10.007 -12.672
  308    HA   ILE  40           HA       ILE  40   1.571 -10.876 -10.125
  309    HB   ILE  40           HB       ILE  40   1.998  -8.349 -11.744
  310   1HG1  ILE  40          HG12      ILE  40   3.259 -10.179 -12.706
  311   2HG1  ILE  40          HG13      ILE  40   4.294  -8.953 -11.999
  312   1HG2  ILE  40          HG21      ILE  40   3.699  -7.768  -9.981
  313   2HG2  ILE  40          HG22      ILE  40   2.017  -7.699  -9.436
  314   3HG2  ILE  40          HG23      ILE  40   3.034  -9.076  -8.988
  315   1HD1  ILE  40          HD11      ILE  40   5.130 -11.199 -11.544
  316   2HD1  ILE  40          HD12      ILE  40   4.712 -10.392 -10.028
  317   3HD1  ILE  40          HD13      ILE  40   3.637 -11.640 -10.707
  318    H    VAL  41           H        VAL  41   0.284 -10.527  -8.476
  319    HA   VAL  41           HA       VAL  41  -2.176  -8.935  -8.886
  320    HB   VAL  41           HB       VAL  41  -3.154 -10.561  -7.205
  321   1HG1  VAL  41          HG11      VAL  41  -3.540 -12.347  -8.866
  322   2HG1  VAL  41          HG12      VAL  41  -3.745 -10.734  -9.531
  323   3HG1  VAL  41          HG13      VAL  41  -2.267 -11.658  -9.903
  324   1HG2  VAL  41          HG21      VAL  41  -0.996 -11.504  -6.345
  325   2HG2  VAL  41          HG22      VAL  41  -2.144 -12.732  -6.898
  326   3HG2  VAL  41          HG23      VAL  41  -0.761 -12.307  -7.920
  327    H    ALA  42           H        ALA  42  -3.133  -7.995  -7.031
  328    HA   ALA  42           HA       ALA  42  -1.378  -6.507  -5.353
  329   1HB   ALA  42          HB1       ALA  42  -3.625  -5.746  -6.019
  330   2HB   ALA  42          HB2       ALA  42  -4.354  -7.113  -5.161
  331   3HB   ALA  42          HB3       ALA  42  -3.511  -5.849  -4.246
  332    H    ASP  43           H        ASP  43  -0.249  -7.324  -3.676
  333    HA   ASP  43           HA       ASP  43  -0.709  -9.842  -2.424
  334   1HB   ASP  43          HB2       ASP  43   1.481  -8.783  -2.412
  335   2HB   ASP  43          HB3       ASP  43   0.846  -7.371  -1.564
  336    H    ARG  44           H        ARG  44  -2.084  -6.664  -1.863
  337    HA   ARG  44           HA       ARG  44  -3.885  -7.636   0.193
  338   1HB   ARG  44          HB2       ARG  44  -3.226  -5.927   1.842
  339   2HB   ARG  44          HB3       ARG  44  -1.950  -7.107   1.561
  340   1HG   ARG  44          HG2       ARG  44  -0.945  -5.337  -0.108
  341   2HG   ARG  44          HG3       ARG  44  -2.086  -4.209   0.625
  342   1HD   ARG  44          HD2       ARG  44   0.076  -3.995   1.676
  343   2HD   ARG  44          HD3       ARG  44  -1.062  -4.688   2.854
  344    HE   ARG  44           HE       ARG  44   0.394  -6.727   1.369
  345   1HH1  ARG  44          HH21      ARG  44   0.750  -4.548   4.171
  346   2HH1  ARG  44          HH22      ARG  44   1.931  -5.548   4.932
  347   1HH2  ARG  44          HH11      ARG  44   1.838  -7.967   2.296
  348   2HH2  ARG  44          HH12      ARG  44   2.601  -7.600   3.833
  349    H    SER  45           H        SER  45  -5.637  -6.066   0.510
  350    HA   SER  45           HA       SER  45  -6.244  -4.485  -1.796
  351   1HB   SER  45          HB2       SER  45  -7.565  -4.392   0.946
  352   2HB   SER  45          HB3       SER  45  -8.304  -4.052  -0.624
  353    HG   SER  45           HG       SER  45  -8.737  -6.189   0.299
  354    H    GLY  46           H        GLY  46  -6.635  -2.114  -1.812
  355   1HA   GLY  46          HA2       GLY  46  -6.254  -0.329   0.230
  356   2HA   GLY  46          HA3       GLY  46  -4.611  -0.589  -0.369
  357    H    ILE  47           H        ILE  47  -5.096   1.838  -0.661
  358    HA   ILE  47           HA       ILE  47  -6.095   2.367  -3.421
  359    HB   ILE  47           HB       ILE  47  -5.453   4.253  -1.112
  360   1HG1  ILE  47          HG12      ILE  47  -7.606   3.132  -0.773
  361   2HG1  ILE  47          HG13      ILE  47  -7.806   4.846  -1.084
  362   1HG2  ILE  47          HG21      ILE  47  -4.817   5.384  -3.139
  363   2HG2  ILE  47          HG22      ILE  47  -6.314   4.903  -3.960
  364   3HG2  ILE  47          HG23      ILE  47  -6.357   6.058  -2.610
  365   1HD1  ILE  47          HD11      ILE  47  -8.269   2.632  -3.127
  366   2HD1  ILE  47          HD12      ILE  47  -9.521   3.511  -2.237
  367   3HD1  ILE  47          HD13      ILE  47  -8.514   4.368  -3.416
  368    H    VAL  48           H        VAL  48  -4.595   2.833  -4.931
  369    HA   VAL  48           HA       VAL  48  -1.777   2.321  -4.457
  370    HB   VAL  48           HB       VAL  48  -3.236   3.473  -6.854
  371   1HG1  VAL  48          HG11      VAL  48  -0.807   3.904  -6.956
  372   2HG1  VAL  48          HG12      VAL  48  -0.461   2.209  -6.586
  373   3HG1  VAL  48          HG13      VAL  48  -1.247   2.650  -8.116
  374   1HG2  VAL  48          HG21      VAL  48  -3.061   1.132  -7.741
  375   2HG2  VAL  48          HG22      VAL  48  -2.567   0.595  -6.118
  376   3HG2  VAL  48          HG23      VAL  48  -4.169   1.294  -6.389
  377    H    LYS  49           H        LYS  49  -0.550   3.826  -3.369
  378    HA   LYS  49           HA       LYS  49  -1.279   6.685  -3.433
  379   1HB   LYS  49          HB2       LYS  49  -0.352   5.611  -1.373
  380   2HB   LYS  49          HB3       LYS  49   1.164   5.310  -2.235
  381   1HG   LYS  49          HG2       LYS  49   1.418   7.786  -2.558
  382   2HG   LYS  49          HG3       LYS  49  -0.129   8.039  -1.739
  383   1HD   LYS  49          HD2       LYS  49   1.689   8.503  -0.208
  384   2HD   LYS  49          HD3       LYS  49   0.819   7.059   0.346
  385   1HE   LYS  49          HE2       LYS  49   2.548   5.608  -0.642
  386   2HE   LYS  49          HE3       LYS  49   3.386   7.015  -1.316
  387   1HZ   LYS  49          HZ1       LYS  49   4.396   6.191   0.696
  388   2HZ   LYS  49          HZ2       LYS  49   3.868   7.732   0.931
  389   3HZ   LYS  49          HZ3       LYS  49   3.021   6.475   1.573
  390    H    GLU  50           H        GLU  50   1.284   4.426  -4.676
  391    HA   GLU  50           HA       GLU  50   1.750   6.232  -6.938
  392   1HB   GLU  50          HB2       GLU  50   3.125   7.148  -5.020
  393   2HB   GLU  50          HB3       GLU  50   3.991   5.613  -4.946
  394   1HG   GLU  50          HG2       GLU  50   4.902   5.965  -7.172
  395   2HG   GLU  50          HG3       GLU  50   3.842   7.351  -7.448
  396    H    VAL  51           H        VAL  51   2.972   5.142  -8.619
  397    HA   VAL  51           HA       VAL  51   3.320   2.200  -8.240
  398    HB   VAL  51           HB       VAL  51   2.890   3.718 -10.852
  399   1HG1  VAL  51          HG11      VAL  51   2.815   0.729 -10.192
  400   2HG1  VAL  51          HG12      VAL  51   2.454   1.459 -11.769
  401   3HG1  VAL  51          HG13      VAL  51   4.088   1.566 -11.112
  402   1HG2  VAL  51          HG21      VAL  51   0.620   2.696 -10.876
  403   2HG2  VAL  51          HG22      VAL  51   0.875   2.113  -9.213
  404   3HG2  VAL  51          HG23      VAL  51   0.798   3.855  -9.563
  405    H    LYS  52           H        LYS  52   5.371   1.432  -8.559
  406    HA   LYS  52           HA       LYS  52   7.460   3.561  -8.614
  407   1HB   LYS  52          HB2       LYS  52   7.581   0.762  -7.458
  408   2HB   LYS  52          HB3       LYS  52   8.734   2.069  -7.179
  409   1HG   LYS  52          HG2       LYS  52   5.863   1.889  -6.180
  410   2HG   LYS  52          HG3       LYS  52   7.305   1.674  -5.226
  411   1HD   LYS  52          HD2       LYS  52   6.607   4.326  -6.545
  412   2HD   LYS  52          HD3       LYS  52   6.051   3.830  -4.947
  413   1HE   LYS  52          HE2       LYS  52   8.588   3.356  -4.457
  414   2HE   LYS  52          HE3       LYS  52   8.881   4.411  -5.850
  415   1HZ   LYS  52          HZ1       LYS  52   7.389   5.091  -3.375
  416   2HZ   LYS  52          HZ2       LYS  52   8.849   5.697  -3.829
  417   3HZ   LYS  52          HZ3       LYS  52   7.493   6.093  -4.680
  418    H    LYS  53           H        LYS  53   6.226   1.532 -10.866
  419    HA   LYS  53           HA       LYS  53   8.829   1.080 -12.199
  420   1HB   LYS  53          HB2       LYS  53   6.678  -1.014 -11.629
  421   2HB   LYS  53          HB3       LYS  53   7.904  -1.213 -12.878
  422   1HG   LYS  53          HG2       LYS  53   8.622  -0.813  -9.963
  423   2HG   LYS  53          HG3       LYS  53   8.379  -2.395 -10.722
  424   1HD   LYS  53          HD2       LYS  53  10.126  -1.887 -12.389
  425   2HD   LYS  53          HD3       LYS  53  10.428  -0.319 -11.611
  426   1HE   LYS  53          HE2       LYS  53  11.184  -1.402  -9.569
  427   2HE   LYS  53          HE3       LYS  53  10.706  -2.985 -10.154
  428   1HZ   LYS  53          HZ1       LYS  53  12.875  -1.301 -11.257
  429   2HZ   LYS  53          HZ2       LYS  53  12.989  -2.775 -10.494
  430   3HZ   LYS  53          HZ3       LYS  53  12.349  -2.667 -11.996
  431    H    LYS  54           H        LYS  54   8.125   0.046 -14.518
  432    HA   LYS  54           HA       LYS  54   5.779   1.392 -15.599
  433   1HB   LYS  54          HB2       LYS  54   7.012   2.583 -17.333
  434   2HB   LYS  54          HB3       LYS  54   7.461   3.180 -15.738
  435   1HG   LYS  54          HG2       LYS  54   9.551   1.819 -15.814
  436   2HG   LYS  54          HG3       LYS  54   9.121   1.245 -17.430
  437   1HD   LYS  54          HD2       LYS  54   9.602   4.158 -16.671
  438   2HD   LYS  54          HD3       LYS  54  10.791   3.084 -17.424
  439   1HE   LYS  54          HE2       LYS  54   9.271   2.780 -19.380
  440   2HE   LYS  54          HE3       LYS  54   8.118   3.905 -18.650
  441   1HZ   LYS  54          HZ1       LYS  54   9.815   5.633 -18.788
  442   2HZ   LYS  54          HZ2       LYS  54  10.880   4.594 -19.467
  443   3HZ   LYS  54          HZ3       LYS  54   9.523   5.009 -20.262
  444    H    GLU  55           H        GLU  55   5.430   0.666 -17.850
  445    HA   GLU  55           HA       GLU  55   5.657  -2.155 -17.962
  446   1HB   GLU  55          HB2       GLU  55   4.969  -0.227 -20.223
  447   2HB   GLU  55          HB3       GLU  55   4.605  -1.961 -20.150
  448   1HG   GLU  55          HG2       GLU  55   3.289  -1.486 -18.028
  449   2HG   GLU  55          HG3       GLU  55   3.472   0.234 -18.357
  450    H    GLY  56           H        GLY  56   7.142  -3.464 -18.827
  451   1HA   GLY  56          HA2       GLY  56   8.804  -4.238 -20.206
  452   2HA   GLY  56          HA3       GLY  56   9.032  -2.623 -20.887
  453    H    ASP  57           H        ASP  57   9.167  -2.120 -17.541
  454    HA   ASP  57           HA       ASP  57  12.047  -1.841 -17.628
  455   1HB   ASP  57          HB2       ASP  57  10.551  -0.361 -16.292
  456   2HB   ASP  57          HB3       ASP  57  10.210  -1.717 -15.210
  457    H    PHE  58           H        PHE  58  13.542  -2.893 -16.151
  458    HA   PHE  58           HA       PHE  58  13.228  -5.795 -15.966
  459   1HB   PHE  58          HB2       PHE  58  15.419  -4.742 -16.384
  460   2HB   PHE  58          HB3       PHE  58  15.288  -3.842 -14.880
  461    HD1  PHE  58           HD1      PHE  58  15.833  -7.208 -16.360
  462    HD2  PHE  58           HD2      PHE  58  15.780  -4.881 -12.725
  463    HE1  PHE  58           HE1      PHE  58  17.010  -9.037 -15.172
  464    HE2  PHE  58           HE2      PHE  58  16.969  -6.710 -11.545
  465    HZ   PHE  58           HZ       PHE  58  17.608  -8.781 -12.772
  466    H    VAL  59           H        VAL  59  12.836  -6.978 -14.064
  467    HA   VAL  59           HA       VAL  59  12.372  -5.554 -11.543
  468    HB   VAL  59           HB       VAL  59  10.178  -6.881 -11.317
  469   1HG1  VAL  59          HG11      VAL  59   8.843  -5.058 -12.231
  470   2HG1  VAL  59          HG12      VAL  59  10.284  -4.453 -11.412
  471   3HG1  VAL  59          HG13      VAL  59  10.213  -4.485 -13.193
  472   1HG2  VAL  59          HG21      VAL  59  10.366  -8.223 -13.393
  473   2HG2  VAL  59          HG22      VAL  59   8.871  -7.258 -13.329
  474   3HG2  VAL  59          HG23      VAL  59  10.212  -6.737 -14.358
  475    H    ASN  60           H        ASN  60  12.040  -7.121  -9.746
  476    HA   ASN  60           HA       ASN  60  13.328  -9.691 -10.220
  477   1HB   ASN  60          HB2       ASN  60  14.933  -7.490  -9.632
  478   2HB   ASN  60          HB3       ASN  60  14.648  -8.204  -8.045
  479   1HD2  ASN  60          HD22      ASN  60  15.422  -9.136 -11.455
  480   2HD2  ASN  60          HD21      ASN  60  16.543 -10.412 -11.023
  481    H    GLU  61           H        GLU  61  13.604 -10.909  -8.145
  482    HA   GLU  61           HA       GLU  61  11.081 -11.151  -6.821
  483   1HB   GLU  61          HB2       GLU  61  12.579 -13.026  -7.169
  484   2HB   GLU  61          HB3       GLU  61  13.875 -12.240  -6.285
  485   1HG   GLU  61          HG2       GLU  61  12.464 -12.339  -4.198
  486   2HG   GLU  61          HG3       GLU  61  11.197 -13.147  -5.115
  487    H    GLY  62           H        GLY  62  10.301  -9.608  -5.515
  488   1HA   GLY  62          HA2       GLY  62  10.139  -8.463  -3.515
  489   2HA   GLY  62          HA3       GLY  62  11.873  -8.654  -3.219
  490    H    ASP  63           H        ASP  63  11.301  -7.513  -6.462
  491    HA   ASP  63           HA       ASP  63  12.239  -4.826  -5.762
  492   1HB   ASP  63          HB2       ASP  63  12.944  -6.214  -7.811
  493   2HB   ASP  63          HB3       ASP  63  11.335  -5.904  -8.461
  494    H    VAL  64           H        VAL  64  10.821  -3.074  -5.600
  495    HA   VAL  64           HA       VAL  64   8.099  -3.702  -5.031
  496    HB   VAL  64           HB       VAL  64   9.459  -0.994  -5.360
  497   1HG1  VAL  64          HG11      VAL  64   7.605  -0.225  -3.823
  498   2HG1  VAL  64          HG12      VAL  64   7.049  -0.693  -5.432
  499   3HG1  VAL  64          HG13      VAL  64   6.816  -1.798  -4.070
  500   1HG2  VAL  64          HG21      VAL  64   8.996  -2.732  -2.890
  501   2HG2  VAL  64          HG22      VAL  64  10.569  -2.330  -3.609
  502   3HG2  VAL  64          HG23      VAL  64   9.601  -1.060  -2.865
  503    H    LEU  65           H        LEU  65   6.234  -3.315  -6.131
  504    HA   LEU  65           HA       LEU  65   6.375  -2.487  -8.994
  505   1HB   LEU  65          HB2       LEU  65   5.308  -4.684  -8.664
  506   2HB   LEU  65          HB3       LEU  65   4.280  -4.037  -7.402
  507    HG   LEU  65           HG       LEU  65   3.136  -2.577  -9.075
  508   1HD1  LEU  65          HD11      LEU  65   4.880  -2.219 -10.714
  509   2HD1  LEU  65          HD12      LEU  65   4.966  -3.962 -11.063
  510   3HD1  LEU  65          HD13      LEU  65   3.520  -3.015 -11.500
  511   1HD2  LEU  65          HD21      LEU  65   3.234  -5.484  -9.947
  512   2HD2  LEU  65          HD22      LEU  65   2.306  -4.881  -8.558
  513   3HD2  LEU  65          HD23      LEU  65   1.898  -4.334 -10.190
  514    H    LEU  66           H        LEU  66   4.544  -2.051  -5.861
  515    HA   LEU  66           HA       LEU  66   4.120   0.747  -6.564
  516   1HB   LEU  66          HB2       LEU  66   1.781   0.804  -6.548
  517   2HB   LEU  66          HB3       LEU  66   2.274  -0.286  -7.813
  518    HG   LEU  66           HG       LEU  66   1.500  -1.445  -5.111
  519   1HD1  LEU  66          HD11      LEU  66  -0.255   0.145  -5.535
  520   2HD1  LEU  66          HD12      LEU  66  -0.433  -0.402  -7.215
  521   3HD1  LEU  66          HD13      LEU  66  -0.857  -1.484  -5.874
  522   1HD2  LEU  66          HD21      LEU  66   2.285  -2.982  -6.885
  523   2HD2  LEU  66          HD22      LEU  66   0.581  -3.261  -6.519
  524   3HD2  LEU  66          HD23      LEU  66   1.028  -2.372  -7.987
  525    H    GLU  67           H        GLU  67   2.840   1.901  -4.902
  526    HA   GLU  67           HA       GLU  67   3.425   0.901  -2.168
  527   1HB   GLU  67          HB2       GLU  67   5.175   2.440  -3.115
  528   2HB   GLU  67          HB3       GLU  67   3.934   3.690  -3.300
  529   1HG   GLU  67          HG2       GLU  67   3.541   3.613  -0.837
  530   2HG   GLU  67          HG3       GLU  67   4.800   2.383  -0.683
  531    H    LEU  68           H        LEU  68   1.825   1.537  -0.653
  532    HA   LEU  68           HA       LEU  68  -0.732   2.461  -1.890
  533   1HB   LEU  68          HB2       LEU  68  -0.323   0.466   0.370
  534   2HB   LEU  68          HB3       LEU  68  -1.859   0.944  -0.339
  535    HG   LEU  68           HG       LEU  68   0.338  -0.646  -1.732
  536   1HD1  LEU  68          HD11      LEU  68  -1.247  -2.499  -1.644
  537   2HD1  LEU  68          HD12      LEU  68  -0.956  -1.894  -0.006
  538   3HD1  LEU  68          HD13      LEU  68  -2.459  -1.475  -0.853
  539   1HD2  LEU  68          HD21      LEU  68  -1.252  -0.939  -3.556
  540   2HD2  LEU  68          HD22      LEU  68  -2.393   0.191  -2.785
  541   3HD2  LEU  68          HD23      LEU  68  -0.800   0.749  -3.362
  542    H    SER  69           H        SER  69  -2.182   3.597  -0.553
  543    HA   SER  69           HA       SER  69  -1.001   5.368   1.409
  544   1HB   SER  69          HB2       SER  69  -3.918   4.794   0.731
  545   2HB   SER  69          HB3       SER  69  -3.291   6.218   1.585
  546    HG   SER  69           HG       SER  69  -3.634   6.677  -0.609
  547    H    ASN  70           H        ASN  70  -1.129   5.235   3.656
  548    HA   ASN  70           HA       ASN  70  -3.042   3.521   4.992
  549   1HB   ASN  70          HB2       ASN  70  -1.303   1.819   4.731
  550   2HB   ASN  70          HB3       ASN  70  -0.052   2.967   5.218
  551   1HD2  ASN  70          HD22      ASN  70   0.688   2.302   7.238
  552   2HD2  ASN  70          HD21      ASN  70  -0.373   2.088   8.616
  553    H    SER  71           H        SER  71  -3.487   4.453   7.036
  554    HA   SER  71           HA       SER  71  -2.869   7.193   7.233
  555   1HB   SER  71          HB2       SER  71  -4.103   6.834   9.505
  556   2HB   SER  71          HB3       SER  71  -4.960   6.558   7.982
  557    HG   SER  71           HG       SER  71  -5.295   4.867   9.488
  558    H    THR  72           H        THR  72  -1.232   4.415   8.739
  559    HA   THR  72           HA       THR  72  -0.006   5.862  10.849
  560    HB   THR  72           HB       THR  72   1.292   3.480   9.536
  561    HG1  THR  72           HG1      THR  72  -1.112   3.359  11.040
  562   1HG2  THR  72          HG21      THR  72   1.562   2.706  11.869
  563   2HG2  THR  72          HG22      THR  72   2.293   4.299  11.621
  564   3HG2  THR  72          HG23      THR  72   0.729   4.167  12.454
  565    H    GLN  73           H        GLN  73   0.651   5.933   7.419
  566    HA   GLN  73           HA       GLN  73   3.494   6.351   7.495
  567   1HB   GLN  73          HB2       GLN  73   1.384   7.096   5.424
  568   2HB   GLN  73          HB3       GLN  73   3.124   7.260   5.185
  569   1HG   GLN  73          HG2       GLN  73   3.460   4.851   5.418
  570   2HG   GLN  73          HG3       GLN  73   1.764   4.611   5.830
  571   1HE2  GLN  73          HE22      GLN  73   2.045   3.000   3.962
  572   2HE2  GLN  73          HE21      GLN  73   1.589   3.616   2.386
  Start of MODEL   17
    1   1H    THR   2          H1        THR   2   4.221  -2.566   1.323
    2   2H    THR   2          H2        THR   2   3.951  -0.961   1.170
    3   3H    THR   2          H3        THR   2   2.728  -2.037   0.902
    4    HA   THR   2           HA       THR   2   3.638  -1.182  -1.195
    5    HB   THR   2           HB       THR   2   5.966  -2.288  -1.707
    6    HG1  THR   2           HG1      THR   2   7.275  -2.532   0.042
    7   1HG2  THR   2          HG21      THR   2   5.631   0.144  -1.683
    8   2HG2  THR   2          HG22      THR   2   5.791   0.174   0.091
    9   3HG2  THR   2          HG23      THR   2   7.168  -0.289  -0.930
   10    H    VAL   3           H        VAL   3   3.937  -2.650  -3.132
   11    HA   VAL   3           HA       VAL   3   3.453  -5.513  -2.560
   12    HB   VAL   3           HB       VAL   3   1.976  -3.985  -4.742
   13   1HG1  VAL   3          HG11      VAL   3   2.410  -6.357  -5.270
   14   2HG1  VAL   3          HG12      VAL   3   1.688  -6.836  -3.718
   15   3HG1  VAL   3          HG13      VAL   3   0.699  -6.072  -4.990
   16   1HG2  VAL   3          HG21      VAL   3   0.838  -5.031  -2.112
   17   2HG2  VAL   3          HG22      VAL   3   0.967  -3.328  -2.599
   18   3HG2  VAL   3          HG23      VAL   3  -0.113  -4.406  -3.484
   19    H    SER   4           H        SER   4   4.646  -6.796  -4.025
   20    HA   SER   4           HA       SER   4   6.555  -5.385  -5.821
   21   1HB   SER   4          HB2       SER   4   7.205  -7.438  -3.668
   22   2HB   SER   4          HB3       SER   4   8.362  -6.609  -4.716
   23    HG   SER   4           HG       SER   4   8.164  -5.690  -2.586
   24    H    ILE   5           H        ILE   5   7.667  -6.748  -7.278
   25    HA   ILE   5           HA       ILE   5   6.084  -8.935  -8.392
   26    HB   ILE   5           HB       ILE   5   8.825  -7.776  -9.123
   27   1HG1  ILE   5          HG12      ILE   5   7.363  -7.093 -11.237
   28   2HG1  ILE   5          HG13      ILE   5   6.002  -7.253 -10.144
   29   1HG2  ILE   5          HG21      ILE   5   8.587  -9.003 -11.248
   30   2HG2  ILE   5          HG22      ILE   5   8.640 -10.101  -9.895
   31   3HG2  ILE   5          HG23      ILE   5   7.078  -9.741 -10.674
   32   1HD1  ILE   5          HD11      ILE   5   6.964  -5.451  -8.720
   33   2HD1  ILE   5          HD12      ILE   5   8.406  -5.406  -9.741
   34   3HD1  ILE   5          HD13      ILE   5   6.824  -4.927 -10.400
   35    H    GLN   6           H        GLN   6   6.787 -11.176  -8.371
   36    HA   GLN   6           HA       GLN   6   8.376 -11.782  -5.931
   37   1HB   GLN   6          HB2       GLN   6   6.385 -13.629  -7.264
   38   2HB   GLN   6          HB3       GLN   6   7.080 -13.723  -5.656
   39   1HG   GLN   6          HG2       GLN   6   5.051 -12.904  -5.063
   40   2HG   GLN   6          HG3       GLN   6   5.870 -11.369  -5.305
   41   1HE2  GLN   6          HE22      GLN   6   4.556  -9.917  -6.489
   42   2HE2  GLN   6          HE21      GLN   6   3.403 -10.436  -7.704
   43    H    MET   7           H        MET   7   9.195 -11.681  -9.110
   44    HA   MET   7           HA       MET   7  11.195 -13.750  -8.788
   45   1HB   MET   7          HB2       MET   7  10.641 -15.094 -10.682
   46   2HB   MET   7          HB3       MET   7   9.226 -15.035  -9.650
   47   1HG   MET   7          HG2       MET   7   8.842 -12.898 -11.455
   48   2HG   MET   7          HG3       MET   7   9.609 -14.157 -12.413
   49   1HE   MET   7          HE1       MET   7   5.332 -13.960 -10.811
   50   2HE   MET   7          HE2       MET   7   6.681 -13.730  -9.674
   51   3HE   MET   7          HE3       MET   7   6.506 -12.661 -11.084
   52    H    ALA   8           H        ALA   8  12.761 -13.668 -10.664
   53    HA   ALA   8           HA       ALA   8  13.263 -10.918 -11.492
   54   1HB   ALA   8          HB1       ALA   8  14.646 -13.523 -12.229
   55   2HB   ALA   8          HB2       ALA   8  15.250 -11.880 -12.539
   56   3HB   ALA   8          HB3       ALA   8  15.084 -12.462 -10.864
   57    H    GLY   9           H        GLY   9  12.914  -9.970 -13.477
   58   1HA   GLY   9          HA2       GLY   9  12.670 -11.312 -15.921
   59   2HA   GLY   9          HA3       GLY   9  11.036 -11.213 -15.273
   60    H    ASN  10           H        ASN  10  10.375  -9.806 -16.957
   61    HA   ASN  10           HA       ASN  10  11.098  -6.934 -16.550
   62   1HB   ASN  10          HB2       ASN  10  11.221  -8.507 -19.152
   63   2HB   ASN  10          HB3       ASN  10  10.620  -6.855 -19.160
   64   1HD2  ASN  10          HD22      ASN  10  13.330  -7.894 -16.991
   65   2HD2  ASN  10          HD21      ASN  10  14.538  -7.007 -17.896
   66    H    LEU  11           H        LEU  11   9.341  -5.670 -16.597
   67    HA   LEU  11           HA       LEU  11   6.818  -6.971 -16.145
   68   1HB   LEU  11          HB2       LEU  11   7.864  -4.154 -16.274
   69   2HB   LEU  11          HB3       LEU  11   6.134  -4.395 -16.416
   70    HG   LEU  11           HG       LEU  11   7.763  -5.619 -14.164
   71   1HD1  LEU  11          HD11      LEU  11   6.253  -2.985 -14.235
   72   2HD1  LEU  11          HD12      LEU  11   6.923  -3.739 -12.770
   73   3HD1  LEU  11          HD13      LEU  11   8.005  -3.210 -14.077
   74   1HD2  LEU  11          HD21      LEU  11   5.510  -5.647 -13.008
   75   2HD2  LEU  11          HD22      LEU  11   4.783  -5.182 -14.565
   76   3HD2  LEU  11          HD23      LEU  11   5.616  -6.736 -14.389
   77    H    TRP  12           H        TRP  12   5.386  -7.658 -17.577
   78    HA   TRP  12           HA       TRP  12   5.690  -7.136 -20.434
   79   1HB   TRP  12          HB2       TRP  12   4.872  -9.305 -19.250
   80   2HB   TRP  12          HB3       TRP  12   3.352  -8.461 -19.016
   81    HD1  TRP  12           HD1      TRP  12   5.722  -9.336 -21.875
   82    HE1  TRP  12           HE1      TRP  12   4.415 -10.024 -23.966
   83    HE3  TRP  12           HE3      TRP  12   1.004  -8.613 -20.094
   84    HZ2  TRP  12           HZ2      TRP  12   1.622 -10.239 -24.754
   85    HZ3  TRP  12           HZ3      TRP  12  -0.971  -9.076 -21.517
   86    HH2  TRP  12           HH2      TRP  12  -0.674  -9.887 -23.849
   87    H    LYS  13           H        LYS  13   3.286  -6.422 -17.843
   88    HA   LYS  13           HA       LYS  13   2.518  -3.872 -19.106
   89   1HB   LYS  13          HB2       LYS  13   0.635  -6.189 -18.476
   90   2HB   LYS  13          HB3       LYS  13   0.075  -4.547 -18.787
   91   1HG   LYS  13          HG2       LYS  13   1.549  -6.277 -20.812
   92   2HG   LYS  13          HG3       LYS  13  -0.200  -6.113 -20.694
   93   1HD   LYS  13          HD2       LYS  13  -0.058  -3.714 -21.160
   94   2HD   LYS  13          HD3       LYS  13   1.719  -3.815 -21.250
   95   1HE   LYS  13          HE2       LYS  13   1.535  -5.438 -23.118
   96   2HE   LYS  13          HE3       LYS  13  -0.229  -5.336 -23.040
   97   1HZ   LYS  13          HZ1       LYS  13  -0.053  -2.988 -23.639
   98   2HZ   LYS  13          HZ2       LYS  13   1.579  -3.085 -23.716
   99   3HZ   LYS  13          HZ3       LYS  13   0.659  -3.916 -24.772
  100    H    VAL  14           H        VAL  14   1.249  -2.570 -17.551
  101    HA   VAL  14           HA       VAL  14   1.046  -3.506 -14.767
  102    HB   VAL  14           HB       VAL  14   2.331  -0.867 -15.614
  103   1HG1  VAL  14          HG11      VAL  14   2.576  -0.473 -13.148
  104   2HG1  VAL  14          HG12      VAL  14   0.897  -0.463 -13.675
  105   3HG1  VAL  14          HG13      VAL  14   1.554  -1.895 -12.844
  106   1HG2  VAL  14          HG21      VAL  14   3.453  -3.231 -14.048
  107   2HG2  VAL  14          HG22      VAL  14   3.965  -2.703 -15.667
  108   3HG2  VAL  14          HG23      VAL  14   4.269  -1.667 -14.271
  109    H    HIS  15           H        HIS  15  -0.902  -2.727 -13.898
  110    HA   HIS  15           HA       HIS  15  -2.686  -1.346 -15.866
  111   1HB   HIS  15          HB2       HIS  15  -3.611  -3.226 -13.701
  112   2HB   HIS  15          HB3       HIS  15  -4.415  -2.785 -15.202
  113    HD1  HIS  15           HD1      HIS  15  -2.163  -3.661 -17.313
  114    HD2  HIS  15           HD2      HIS  15  -3.251  -5.749 -13.826
  115    HE1  HIS  15           HE1      HIS  15  -1.299  -6.056 -17.587
  116    H    VAL  16           H        VAL  16  -1.433  -1.231 -12.598
  117    HA   VAL  16           HA       VAL  16  -3.560   0.434 -11.526
  118    HB   VAL  16           HB       VAL  16  -1.940   0.810  -9.674
  119   1HG1  VAL  16          HG11      VAL  16  -2.038  -1.499  -8.823
  120   2HG1  VAL  16          HG12      VAL  16  -3.552  -1.017  -9.600
  121   3HG1  VAL  16          HG13      VAL  16  -2.426  -2.087 -10.455
  122   1HG2  VAL  16          HG21      VAL  16   0.150  -0.220  -9.502
  123   2HG2  VAL  16          HG22      VAL  16  -0.094  -1.238 -10.942
  124   3HG2  VAL  16          HG23      VAL  16   0.173   0.514 -11.098
  125    H    LYS  17           H        LYS  17  -3.088   2.580 -10.638
  126    HA   LYS  17           HA       LYS  17  -0.995   4.176 -11.774
  127   1HB   LYS  17          HB2       LYS  17  -2.541   5.959 -12.612
  128   2HB   LYS  17          HB3       LYS  17  -2.526   4.501 -13.573
  129   1HG   LYS  17          HG2       LYS  17  -4.687   4.006 -11.878
  130   2HG   LYS  17          HG3       LYS  17  -4.737   5.756 -12.020
  131   1HD   LYS  17          HD2       LYS  17  -6.148   4.843 -13.748
  132   2HD   LYS  17          HD3       LYS  17  -4.692   5.445 -14.539
  133   1HE   LYS  17          HE2       LYS  17  -5.006   3.351 -15.555
  134   2HE   LYS  17          HE3       LYS  17  -3.775   3.024 -14.339
  135   1HZ   LYS  17          HZ1       LYS  17  -5.307   1.311 -14.170
  136   2HZ   LYS  17          HZ2       LYS  17  -5.733   2.228 -12.894
  137   3HZ   LYS  17          HZ3       LYS  17  -6.626   2.284 -14.265
  138    H    ALA  18           H        ALA  18  -0.823   6.162 -10.414
  139    HA   ALA  18           HA       ALA  18  -1.515   5.660  -7.687
  140   1HB   ALA  18          HB1       ALA  18   0.420   7.015  -8.365
  141   2HB   ALA  18          HB2       ALA  18  -0.668   8.263  -9.028
  142   3HB   ALA  18          HB3       ALA  18  -0.660   7.926  -7.283
  143    H    GLY  19           H        GLY  19  -3.292   6.176  -6.534
  144   1HA   GLY  19          HA2       GLY  19  -5.238   7.365  -5.972
  145   2HA   GLY  19          HA3       GLY  19  -5.420   7.920  -7.640
  146    H    ASP  20           H        ASP  20  -4.696   4.749  -8.155
  147    HA   ASP  20           HA       ASP  20  -7.460   4.003  -8.607
  148   1HB   ASP  20          HB2       ASP  20  -5.257   3.415  -9.890
  149   2HB   ASP  20          HB3       ASP  20  -5.125   2.078  -8.749
  150    H    GLN  21           H        GLN  21  -8.059   1.641  -7.909
  151    HA   GLN  21           HA       GLN  21  -7.517   1.228  -4.992
  152   1HB   GLN  21          HB2       GLN  21  -9.826   2.022  -5.358
  153   2HB   GLN  21          HB3       GLN  21 -10.051   0.840  -6.640
  154   1HG   GLN  21          HG2       GLN  21 -11.224  -0.013  -4.803
  155   2HG   GLN  21          HG3       GLN  21  -9.793  -1.009  -4.917
  156   1HE2  GLN  21          HE22      GLN  21  -8.693  -1.338  -2.925
  157   2HE2  GLN  21          HE21      GLN  21  -8.932  -0.311  -1.532
  158    H    ILE  22           H        ILE  22  -6.818  -0.810  -4.496
  159    HA   ILE  22           HA       ILE  22  -7.284  -2.965  -6.464
  160    HB   ILE  22           HB       ILE  22  -5.145  -3.909  -6.214
  161   1HG1  ILE  22          HG12      ILE  22  -4.487  -1.751  -4.168
  162   2HG1  ILE  22          HG13      ILE  22  -4.664  -3.487  -3.877
  163   1HG2  ILE  22          HG21      ILE  22  -5.393  -2.062  -7.876
  164   2HG2  ILE  22          HG22      ILE  22  -4.710  -0.934  -6.690
  165   3HG2  ILE  22          HG23      ILE  22  -3.736  -2.264  -7.321
  166   1HD1  ILE  22          HD11      ILE  22  -2.454  -2.081  -5.407
  167   2HD1  ILE  22          HD12      ILE  22  -2.333  -3.076  -3.939
  168   3HD1  ILE  22          HD13      ILE  22  -2.702  -3.837  -5.490
  169    H    GLU  23           H        GLU  23  -7.218  -5.121  -5.434
  170    HA   GLU  23           HA       GLU  23  -8.019  -5.150  -2.604
  171   1HB   GLU  23          HB2       GLU  23 -10.063  -4.843  -3.907
  172   2HB   GLU  23          HB3       GLU  23  -9.643  -6.223  -4.944
  173   1HG   GLU  23          HG2       GLU  23  -9.807  -7.738  -2.989
  174   2HG   GLU  23          HG3       GLU  23 -10.132  -6.362  -1.933
  175    H    LYS  24           H        LYS  24  -7.394  -7.180  -1.669
  176    HA   LYS  24           HA       LYS  24  -5.152  -8.440  -2.661
  177   1HB   LYS  24          HB2       LYS  24  -6.097  -8.590  -0.342
  178   2HB   LYS  24          HB3       LYS  24  -7.297  -9.749  -0.931
  179   1HG   LYS  24          HG2       LYS  24  -5.443 -11.285  -1.620
  180   2HG   LYS  24          HG3       LYS  24  -4.269 -10.105  -1.024
  181   1HD   LYS  24          HD2       LYS  24  -5.365 -10.320   1.283
  182   2HD   LYS  24          HD3       LYS  24  -6.382 -11.591   0.595
  183   1HE   LYS  24          HE2       LYS  24  -4.681 -12.821   1.595
  184   2HE   LYS  24          HE3       LYS  24  -4.174 -12.761  -0.095
  185   1HZ   LYS  24          HZ1       LYS  24  -2.702 -10.857   0.575
  186   2HZ   LYS  24          HZ2       LYS  24  -3.126 -11.111   2.132
  187   3HZ   LYS  24          HZ3       LYS  24  -2.321 -12.267   1.319
  188    H    GLY  25           H        GLY  25  -4.734  -9.707  -4.411
  189   1HA   GLY  25          HA2       GLY  25  -5.004 -11.605  -5.737
  190   2HA   GLY  25          HA3       GLY  25  -6.709 -11.715  -5.301
  191    H    GLN  26           H        GLN  26  -6.493  -8.493  -6.069
  192    HA   GLN  26           HA       GLN  26  -7.567  -8.734  -8.719
  193   1HB   GLN  26          HB2       GLN  26  -7.919  -6.855  -7.044
  194   2HB   GLN  26          HB3       GLN  26  -6.251  -6.327  -7.374
  195   1HG   GLN  26          HG2       GLN  26  -6.867  -5.919  -9.735
  196   2HG   GLN  26          HG3       GLN  26  -8.503  -6.512  -9.433
  197   1HE2  GLN  26          HE22      GLN  26  -6.667  -3.689  -9.643
  198   2HE2  GLN  26          HE21      GLN  26  -7.661  -2.628  -8.656
  199    H    GLU  27           H        GLU  27  -6.450  -8.690 -10.689
  200    HA   GLU  27           HA       GLU  27  -3.562  -9.023 -10.746
  201   1HB   GLU  27          HB2       GLU  27  -5.169 -10.053 -12.365
  202   2HB   GLU  27          HB3       GLU  27  -5.573  -8.440 -12.965
  203   1HG   GLU  27          HG2       GLU  27  -3.179  -8.146 -13.654
  204   2HG   GLU  27          HG3       GLU  27  -2.827  -9.770 -13.062
  205    H    VAL  28           H        VAL  28  -2.047  -7.425 -10.973
  206    HA   VAL  28           HA       VAL  28  -2.939  -4.620 -11.462
  207    HB   VAL  28           HB       VAL  28  -1.273  -3.958  -9.681
  208   1HG1  VAL  28          HG11      VAL  28  -3.660  -5.597  -8.715
  209   2HG1  VAL  28          HG12      VAL  28  -2.810  -4.327  -7.819
  210   3HG1  VAL  28          HG13      VAL  28  -3.725  -3.921  -9.286
  211   1HG2  VAL  28          HG21      VAL  28  -0.690  -5.538  -7.930
  212   2HG2  VAL  28          HG22      VAL  28  -1.533  -6.841  -8.779
  213   3HG2  VAL  28          HG23      VAL  28  -0.056  -6.137  -9.475
  214    H    ALA  29           H        ALA  29  -0.528  -7.142 -12.040
  215    HA   ALA  29           HA       ALA  29   0.405  -5.554 -14.276
  216   1HB   ALA  29          HB1       ALA  29   1.971  -4.703 -12.583
  217   2HB   ALA  29          HB2       ALA  29   2.367  -6.340 -12.044
  218   3HB   ALA  29          HB3       ALA  29   2.831  -5.806 -13.660
  219    H    ILE  30           H        ILE  30   2.196  -6.951 -15.414
  220    HA   ILE  30           HA       ILE  30   1.793  -9.852 -15.046
  221    HB   ILE  30           HB       ILE  30   1.490  -8.383 -17.702
  222   1HG1  ILE  30          HG12      ILE  30  -0.515 -10.252 -16.370
  223   2HG1  ILE  30          HG13      ILE  30  -0.576  -8.505 -16.213
  224   1HG2  ILE  30          HG21      ILE  30   1.246 -10.653 -18.726
  225   2HG2  ILE  30          HG22      ILE  30   2.828 -10.466 -18.007
  226   3HG2  ILE  30          HG23      ILE  30   1.580 -11.390 -17.147
  227   1HD1  ILE  30          HD11      ILE  30  -2.130  -9.151 -17.911
  228   2HD1  ILE  30          HD12      ILE  30  -0.811  -8.239 -18.661
  229   3HD1  ILE  30          HD13      ILE  30  -0.886 -10.014 -18.824
  230    H    LEU  31           H        LEU  31   3.706 -10.914 -15.456
  231    HA   LEU  31           HA       LEU  31   6.151  -9.259 -15.936
  232   1HB   LEU  31          HB2       LEU  31   5.890  -9.814 -13.642
  233   2HB   LEU  31          HB3       LEU  31   5.441 -11.487 -13.981
  234    HG   LEU  31           HG       LEU  31   7.654 -11.049 -12.925
  235   1HD1  LEU  31          HD11      LEU  31   8.858 -12.759 -14.080
  236   2HD1  LEU  31          HD12      LEU  31   7.139 -13.184 -14.030
  237   3HD1  LEU  31          HD13      LEU  31   7.859 -12.591 -15.531
  238   1HD2  LEU  31          HD21      LEU  31   8.164  -9.071 -14.486
  239   2HD2  LEU  31          HD22      LEU  31   9.476 -10.188 -14.058
  240   3HD2  LEU  31          HD23      LEU  31   8.695 -10.296 -15.650
  241    H    GLU  32           H        GLU  32   7.464 -10.015 -17.554
  242    HA   GLU  32           HA       GLU  32   6.824 -12.609 -18.851
  243   1HB   GLU  32          HB2       GLU  32   6.793 -10.582 -20.284
  244   2HB   GLU  32          HB3       GLU  32   8.455 -10.216 -19.808
  245   1HG   GLU  32          HG2       GLU  32   9.147 -12.458 -20.769
  246   2HG   GLU  32          HG3       GLU  32   7.491 -12.674 -21.333
  247    H    SER  33           H        SER  33   8.197 -14.251 -18.389
  248    HA   SER  33           HA       SER  33  11.011 -13.978 -18.162
  249   1HB   SER  33          HB2       SER  33  10.244 -13.147 -15.842
  250   2HB   SER  33          HB3       SER  33   9.655 -14.787 -15.547
  251    HG   SER  33           HG       SER  33  11.882 -14.094 -14.901
  252    H    MET  34           H        MET  34  11.924 -16.239 -17.610
  253    HA   MET  34           HA       MET  34  12.028 -18.453 -18.135
  254   1HB   MET  34          HB2       MET  34   9.272 -18.469 -16.843
  255   2HB   MET  34          HB3       MET  34  10.347 -19.855 -17.001
  256   1HG   MET  34          HG2       MET  34  11.949 -18.935 -15.495
  257   2HG   MET  34          HG3       MET  34  11.169 -17.357 -15.472
  258   1HE   MET  34          HE1       MET  34   8.111 -17.704 -13.201
  259   2HE   MET  34          HE2       MET  34   9.258 -16.605 -13.994
  260   3HE   MET  34          HE3       MET  34   8.182 -17.627 -14.972
  261    H    LYS  35           H        LYS  35  11.052 -16.790 -20.292
  262    HA   LYS  35           HA       LYS  35   9.986 -16.752 -22.274
  263   1HB   LYS  35          HB2       LYS  35  10.242 -19.781 -22.202
  264   2HB   LYS  35          HB3       LYS  35  10.013 -18.783 -23.631
  265   1HG   LYS  35          HG2       LYS  35  12.484 -18.792 -21.848
  266   2HG   LYS  35          HG3       LYS  35  12.317 -19.557 -23.426
  267   1HD   LYS  35          HD2       LYS  35  11.928 -17.316 -24.465
  268   2HD   LYS  35          HD3       LYS  35  12.206 -16.557 -22.879
  269   1HE   LYS  35          HE2       LYS  35  14.470 -17.566 -22.789
  270   2HE   LYS  35          HE3       LYS  35  14.199 -18.326 -24.362
  271   1HZ   LYS  35          HZ1       LYS  35  14.024 -16.108 -25.332
  272   2HZ   LYS  35          HZ2       LYS  35  14.277 -15.403 -23.878
  273   3HZ   LYS  35          HZ3       LYS  35  15.455 -16.282 -24.577
  274    H    MET  36           H        MET  36   8.261 -16.651 -19.999
  275    HA   MET  36           HA       MET  36   5.695 -17.438 -21.227
  276   1HB   MET  36          HB2       MET  36   6.632 -18.073 -18.387
  277   2HB   MET  36          HB3       MET  36   4.947 -18.146 -18.903
  278   1HG   MET  36          HG2       MET  36   5.516 -19.851 -20.591
  279   2HG   MET  36          HG3       MET  36   7.186 -19.858 -20.029
  280   1HE   MET  36          HE1       MET  36   6.997 -19.740 -16.840
  281   2HE   MET  36          HE2       MET  36   6.983 -21.481 -16.496
  282   3HE   MET  36          HE3       MET  36   8.031 -20.842 -17.780
  283    H    GLU  37           H        GLU  37   3.921 -16.367 -19.784
  284    HA   GLU  37           HA       GLU  37   4.829 -13.779 -18.655
  285   1HB   GLU  37          HB2       GLU  37   2.235 -14.256 -20.184
  286   2HB   GLU  37          HB3       GLU  37   2.688 -12.804 -19.303
  287   1HG   GLU  37          HG2       GLU  37   3.136 -12.227 -21.498
  288   2HG   GLU  37          HG3       GLU  37   4.723 -12.611 -20.845
  289    H    ILE  38           H        ILE  38   3.917 -13.348 -16.663
  290    HA   ILE  38           HA       ILE  38   2.275 -15.469 -15.384
  291    HB   ILE  38           HB       ILE  38   4.799 -14.119 -14.299
  292   1HG1  ILE  38          HG12      ILE  38   5.447 -16.745 -14.239
  293   2HG1  ILE  38          HG13      ILE  38   4.369 -16.801 -15.620
  294   1HG2  ILE  38          HG21      ILE  38   4.564 -15.698 -12.410
  295   2HG2  ILE  38          HG22      ILE  38   3.191 -14.608 -12.513
  296   3HG2  ILE  38          HG23      ILE  38   3.032 -16.287 -13.085
  297   1HD1  ILE  38          HD11      ILE  38   6.920 -15.159 -15.287
  298   2HD1  ILE  38          HD12      ILE  38   6.653 -16.527 -16.380
  299   3HD1  ILE  38          HD13      ILE  38   5.851 -14.983 -16.687
  300    HA   PRO  39           HA       PRO  39   0.170 -11.618 -14.307
  301   1HB   PRO  39          HB2       PRO  39  -1.727 -12.548 -12.566
  302   2HB   PRO  39          HB3       PRO  39  -1.807 -12.823 -14.334
  303   1HG   PRO  39          HG2       PRO  39  -0.774 -14.719 -12.208
  304   2HG   PRO  39          HG3       PRO  39  -1.912 -15.070 -13.547
  305   1HD   PRO  39          HD2       PRO  39   0.760 -15.616 -13.715
  306   2HD   PRO  39          HD3       PRO  39  -0.175 -15.075 -15.143
  307    H    ILE  40           H        ILE  40   0.256 -10.129 -12.618
  308    HA   ILE  40           HA       ILE  40   1.569 -10.936 -10.063
  309    HB   ILE  40           HB       ILE  40   1.853  -8.400 -11.686
  310   1HG1  ILE  40          HG12      ILE  40   3.186 -10.146 -12.699
  311   2HG1  ILE  40          HG13      ILE  40   4.172  -8.868 -12.016
  312   1HG2  ILE  40          HG21      ILE  40   3.058  -9.048  -8.981
  313   2HG2  ILE  40          HG22      ILE  40   3.523  -7.669  -9.994
  314   3HG2  ILE  40          HG23      ILE  40   1.881  -7.782  -9.356
  315   1HD1  ILE  40          HD11      ILE  40   3.691 -11.584 -10.713
  316   2HD1  ILE  40          HD12      ILE  40   5.138 -11.066 -11.589
  317   3HD1  ILE  40          HD13      ILE  40   4.716 -10.281 -10.063
  318    H    VAL  41           H        VAL  41   0.213 -10.647  -8.430
  319    HA   VAL  41           HA       VAL  41  -2.244  -9.045  -8.845
  320    HB   VAL  41           HB       VAL  41  -3.220 -10.660  -7.141
  321   1HG1  VAL  41          HG11      VAL  41  -2.413 -11.749  -9.865
  322   2HG1  VAL  41          HG12      VAL  41  -3.679 -12.419  -8.804
  323   3HG1  VAL  41          HG13      VAL  41  -3.864 -10.798  -9.455
  324   1HG2  VAL  41          HG21      VAL  41  -0.875 -12.441  -7.923
  325   2HG2  VAL  41          HG22      VAL  41  -1.059 -11.646  -6.337
  326   3HG2  VAL  41          HG23      VAL  41  -2.240 -12.850  -6.873
  327    H    ALA  42           H        ALA  42  -3.178  -8.061  -7.020
  328    HA   ALA  42           HA       ALA  42  -1.434  -6.600  -5.324
  329   1HB   ALA  42          HB1       ALA  42  -3.693  -5.870  -6.064
  330   2HB   ALA  42          HB2       ALA  42  -4.408  -7.191  -5.131
  331   3HB   ALA  42          HB3       ALA  42  -3.564  -5.880  -4.290
  332    H    ASP  43           H        ASP  43  -0.285  -7.500  -3.663
  333    HA   ASP  43           HA       ASP  43  -0.926  -9.975  -2.377
  334   1HB   ASP  43          HB2       ASP  43   1.353  -9.054  -2.478
  335   2HB   ASP  43          HB3       ASP  43   0.859  -7.672  -1.493
  336    H    ARG  44           H        ARG  44  -2.055  -6.709  -1.852
  337    HA   ARG  44           HA       ARG  44  -3.924  -7.591   0.182
  338   1HB   ARG  44          HB2       ARG  44  -3.319  -5.762   1.757
  339   2HB   ARG  44          HB3       ARG  44  -2.099  -7.023   1.684
  340   1HG   ARG  44          HG2       ARG  44  -0.541  -5.691   0.542
  341   2HG   ARG  44          HG3       ARG  44  -1.758  -4.578  -0.083
  342   1HD   ARG  44          HD2       ARG  44  -1.006  -4.781   2.847
  343   2HD   ARG  44          HD3       ARG  44  -0.330  -3.603   1.702
  344    HE   ARG  44           HE       ARG  44  -3.009  -3.238   1.355
  345   1HH1  ARG  44          HH21      ARG  44  -1.061  -3.161   4.346
  346   2HH1  ARG  44          HH22      ARG  44  -2.236  -2.205   5.191
  347   1HH2  ARG  44          HH11      ARG  44  -4.482  -2.051   2.465
  348   2HH2  ARG  44          HH12      ARG  44  -4.205  -1.584   4.140
  349    H    SER  45           H        SER  45  -5.563  -5.863   0.544
  350    HA   SER  45           HA       SER  45  -6.143  -4.342  -1.834
  351   1HB   SER  45          HB2       SER  45  -7.426  -4.224   0.924
  352   2HB   SER  45          HB3       SER  45  -8.183  -3.813  -0.625
  353    HG   SER  45           HG       SER  45  -8.695  -5.948   0.257
  354    H    GLY  46           H        GLY  46  -6.424  -1.989  -1.920
  355   1HA   GLY  46          HA2       GLY  46  -6.236  -0.187   0.113
  356   2HA   GLY  46          HA3       GLY  46  -4.542  -0.414  -0.338
  357    H    ILE  47           H        ILE  47  -5.357   2.055  -0.645
  358    HA   ILE  47           HA       ILE  47  -6.106   2.522  -3.476
  359    HB   ILE  47           HB       ILE  47  -5.510   4.363  -1.125
  360   1HG1  ILE  47          HG12      ILE  47  -7.758   3.332  -1.094
  361   2HG1  ILE  47          HG13      ILE  47  -7.796   5.079  -1.257
  362   1HG2  ILE  47          HG21      ILE  47  -6.147   6.265  -2.640
  363   2HG2  ILE  47          HG22      ILE  47  -4.596   5.517  -3.021
  364   3HG2  ILE  47          HG23      ILE  47  -6.017   5.151  -4.020
  365   1HD1  ILE  47          HD11      ILE  47  -8.237   3.103  -3.539
  366   2HD1  ILE  47          HD12      ILE  47  -9.485   4.018  -2.678
  367   3HD1  ILE  47          HD13      ILE  47  -8.307   4.874  -3.675
  368    H    VAL  48           H        VAL  48  -4.551   2.937  -4.971
  369    HA   VAL  48           HA       VAL  48  -1.768   2.325  -4.425
  370    HB   VAL  48           HB       VAL  48  -3.038   3.484  -6.910
  371   1HG1  VAL  48          HG11      VAL  48  -0.460   1.877  -6.490
  372   2HG1  VAL  48          HG12      VAL  48  -1.096   2.478  -8.037
  373   3HG1  VAL  48          HG13      VAL  48  -0.532   3.622  -6.814
  374   1HG2  VAL  48          HG21      VAL  48  -3.066   1.144  -7.733
  375   2HG2  VAL  48          HG22      VAL  48  -2.587   0.569  -6.115
  376   3HG2  VAL  48          HG23      VAL  48  -4.157   1.364  -6.372
  377    H    LYS  49           H        LYS  49  -0.707   3.730  -3.135
  378    HA   LYS  49           HA       LYS  49  -1.209   6.611  -3.173
  379   1HB   LYS  49          HB2       LYS  49  -0.609   5.472  -1.108
  380   2HB   LYS  49          HB3       LYS  49   0.909   4.889  -1.810
  381   1HG   LYS  49          HG2       LYS  49   1.751   7.178  -1.967
  382   2HG   LYS  49          HG3       LYS  49   0.199   7.825  -1.387
  383   1HD   LYS  49          HD2       LYS  49   0.472   6.682   0.761
  384   2HD   LYS  49          HD3       LYS  49   1.951   5.895   0.213
  385   1HE   LYS  49          HE2       LYS  49   1.565   8.904   0.590
  386   2HE   LYS  49          HE3       LYS  49   2.384   7.810   1.711
  387   1HZ   LYS  49          HZ1       LYS  49   4.050   8.821   0.423
  388   2HZ   LYS  49          HZ2       LYS  49   3.937   7.287  -0.168
  389   3HZ   LYS  49          HZ3       LYS  49   3.293   8.546  -0.995
  390    H    GLU  50           H        GLU  50   1.252   4.283  -4.474
  391    HA   GLU  50           HA       GLU  50   1.910   6.244  -6.532
  392   1HB   GLU  50          HB2       GLU  50   3.344   6.797  -4.430
  393   2HB   GLU  50          HB3       GLU  50   4.204   5.292  -4.764
  394   1HG   GLU  50          HG2       GLU  50   4.927   6.138  -6.934
  395   2HG   GLU  50          HG3       GLU  50   3.865   7.542  -6.793
  396    H    VAL  51           H        VAL  51   3.495   5.224  -8.136
  397    HA   VAL  51           HA       VAL  51   3.520   2.256  -8.048
  398    HB   VAL  51           HB       VAL  51   3.027   3.903 -10.566
  399   1HG1  VAL  51          HG11      VAL  51   2.808   0.900 -10.008
  400   2HG1  VAL  51          HG12      VAL  51   2.430   1.701 -11.547
  401   3HG1  VAL  51          HG13      VAL  51   4.087   1.693 -10.951
  402   1HG2  VAL  51          HG21      VAL  51   0.701   2.999 -10.516
  403   2HG2  VAL  51          HG22      VAL  51   1.013   2.374  -8.882
  404   3HG2  VAL  51          HG23      VAL  51   1.008   4.131  -9.196
  405    H    LYS  52           H        LYS  52   5.525   1.444  -8.565
  406    HA   LYS  52           HA       LYS  52   7.698   3.489  -8.675
  407   1HB   LYS  52          HB2       LYS  52   7.720   0.576  -7.790
  408   2HB   LYS  52          HB3       LYS  52   9.044   1.723  -7.604
  409   1HG   LYS  52          HG2       LYS  52   6.360   1.802  -6.164
  410   2HG   LYS  52          HG3       LYS  52   7.920   1.308  -5.508
  411   1HD   LYS  52          HD2       LYS  52   8.802   3.610  -5.836
  412   2HD   LYS  52          HD3       LYS  52   7.181   4.131  -6.383
  413   1HE   LYS  52          HE2       LYS  52   6.190   3.460  -4.276
  414   2HE   LYS  52          HE3       LYS  52   7.706   2.738  -3.720
  415   1HZ   LYS  52          HZ1       LYS  52   8.664   4.945  -3.631
  416   2HZ   LYS  52          HZ2       LYS  52   7.280   5.631  -4.211
  417   3HZ   LYS  52          HZ3       LYS  52   7.277   4.880  -2.743
  418    H    LYS  53           H        LYS  53   6.143   1.572 -10.889
  419    HA   LYS  53           HA       LYS  53   8.577   0.962 -12.473
  420   1HB   LYS  53          HB2       LYS  53   6.365  -0.982 -11.642
  421   2HB   LYS  53          HB3       LYS  53   7.554  -1.311 -12.890
  422   1HG   LYS  53          HG2       LYS  53   8.283  -0.813  -9.989
  423   2HG   LYS  53          HG3       LYS  53   8.057  -2.408 -10.717
  424   1HD   LYS  53          HD2       LYS  53   9.835  -1.932 -12.361
  425   2HD   LYS  53          HD3       LYS  53  10.105  -0.339 -11.621
  426   1HE   LYS  53          HE2       LYS  53  10.812  -1.362  -9.525
  427   2HE   LYS  53          HE3       LYS  53  10.420  -2.968 -10.119
  428   1HZ   LYS  53          HZ1       LYS  53  12.703  -2.668 -10.401
  429   2HZ   LYS  53          HZ2       LYS  53  12.094  -2.576 -11.916
  430   3HZ   LYS  53          HZ3       LYS  53  12.549  -1.194 -11.155
  431    H    LYS  54           H        LYS  54   7.708  -0.141 -14.633
  432    HA   LYS  54           HA       LYS  54   5.226   0.985 -15.627
  433   1HB   LYS  54          HB2       LYS  54   6.237   2.203 -17.467
  434   2HB   LYS  54          HB3       LYS  54   6.792   2.901 -15.948
  435   1HG   LYS  54          HG2       LYS  54   8.978   1.804 -16.174
  436   2HG   LYS  54          HG3       LYS  54   8.420   0.888 -17.565
  437   1HD   LYS  54          HD2       LYS  54   7.960   3.272 -18.638
  438   2HD   LYS  54          HD3       LYS  54   9.061   3.826 -17.373
  439   1HE   LYS  54          HE2       LYS  54  10.457   3.416 -19.241
  440   2HE   LYS  54          HE3       LYS  54  10.698   2.018 -18.190
  441   1HZ   LYS  54          HZ1       LYS  54   9.026   0.838 -19.639
  442   2HZ   LYS  54          HZ2       LYS  54   9.016   2.136 -20.629
  443   3HZ   LYS  54          HZ3       LYS  54  10.389   1.286 -20.440
  444    H    GLU  55           H        GLU  55   4.943   0.220 -17.930
  445    HA   GLU  55           HA       GLU  55   5.511  -2.528 -18.308
  446   1HB   GLU  55          HB2       GLU  55   5.005  -0.488 -20.519
  447   2HB   GLU  55          HB3       GLU  55   4.714  -2.222 -20.549
  448   1HG   GLU  55          HG2       GLU  55   2.578  -1.569 -20.180
  449   2HG   GLU  55          HG3       GLU  55   3.083  -1.642 -18.498
  450    H    GLY  56           H        GLY  56   7.180  -3.609 -19.352
  451   1HA   GLY  56          HA2       GLY  56   9.030  -3.974 -20.599
  452   2HA   GLY  56          HA3       GLY  56   9.124  -2.254 -21.003
  453    H    ASP  57           H        ASP  57   8.988  -2.160 -17.660
  454    HA   ASP  57           HA       ASP  57  11.856  -1.695 -17.550
  455   1HB   ASP  57          HB2       ASP  57  10.181  -0.309 -16.309
  456   2HB   ASP  57          HB3       ASP  57   9.879  -1.691 -15.246
  457    H    PHE  58           H        PHE  58  13.283  -2.677 -16.028
  458    HA   PHE  58           HA       PHE  58  13.140  -5.601 -15.889
  459   1HB   PHE  58          HB2       PHE  58  15.292  -4.543 -16.249
  460   2HB   PHE  58          HB3       PHE  58  15.061  -3.484 -14.866
  461    HD1  PHE  58           HD1      PHE  58  15.612  -4.168 -12.625
  462    HD2  PHE  58           HD2      PHE  58  15.748  -7.019 -15.864
  463    HE1  PHE  58           HE1      PHE  58  16.853  -5.757 -11.180
  464    HE2  PHE  58           HE2      PHE  58  16.986  -8.602 -14.413
  465    HZ   PHE  58           HZ       PHE  58  17.572  -7.961 -12.081
  466    H    VAL  59           H        VAL  59  12.834  -6.830 -13.997
  467    HA   VAL  59           HA       VAL  59  12.306  -5.461 -11.467
  468    HB   VAL  59           HB       VAL  59  10.213  -6.872 -11.171
  469   1HG1  VAL  59          HG11      VAL  59  10.179  -4.435 -11.455
  470   2HG1  VAL  59          HG12      VAL  59   9.997  -4.632 -13.218
  471   3HG1  VAL  59          HG13      VAL  59   8.740  -5.211 -12.112
  472   1HG2  VAL  59          HG21      VAL  59  10.483  -8.328 -13.163
  473   2HG2  VAL  59          HG22      VAL  59   8.917  -7.491 -13.114
  474   3HG2  VAL  59          HG23      VAL  59  10.181  -6.928 -14.219
  475    H    ASN  60           H        ASN  60  12.079  -7.032  -9.682
  476    HA   ASN  60           HA       ASN  60  13.415  -9.576 -10.170
  477   1HB   ASN  60          HB2       ASN  60  14.975  -7.382  -9.501
  478   2HB   ASN  60          HB3       ASN  60  14.629  -8.093  -7.922
  479   1HD2  ASN  60          HD22      ASN  60  15.514  -9.043 -11.292
  480   2HD2  ASN  60          HD21      ASN  60  16.639 -10.305 -10.826
  481    H    GLU  61           H        GLU  61  13.640 -10.817  -8.078
  482    HA   GLU  61           HA       GLU  61  11.071 -11.109  -6.847
  483   1HB   GLU  61          HB2       GLU  61  12.602 -12.962  -7.137
  484   2HB   GLU  61          HB3       GLU  61  13.865 -12.155  -6.222
  485   1HG   GLU  61          HG2       GLU  61  12.405 -12.267  -4.171
  486   2HG   GLU  61          HG3       GLU  61  11.169 -13.092  -5.117
  487    H    GLY  62           H        GLY  62  10.215  -9.610  -5.535
  488   1HA   GLY  62          HA2       GLY  62   9.984  -8.484  -3.530
  489   2HA   GLY  62          HA3       GLY  62  11.722  -8.596  -3.219
  490    H    ASP  63           H        ASP  63  11.116  -7.492  -6.469
  491    HA   ASP  63           HA       ASP  63  12.008  -4.797  -5.757
  492   1HB   ASP  63          HB2       ASP  63  12.785  -6.150  -7.775
  493   2HB   ASP  63          HB3       ASP  63  11.184  -5.890  -8.472
  494    H    VAL  64           H        VAL  64  10.605  -3.103  -5.487
  495    HA   VAL  64           HA       VAL  64   7.879  -3.719  -5.016
  496    HB   VAL  64           HB       VAL  64   9.248  -1.003  -5.160
  497   1HG1  VAL  64          HG11      VAL  64   6.808  -0.766  -5.161
  498   2HG1  VAL  64          HG12      VAL  64   6.662  -1.902  -3.811
  499   3HG1  VAL  64          HG13      VAL  64   7.434  -0.316  -3.577
  500   1HG2  VAL  64          HG21      VAL  64   8.843  -2.903  -2.802
  501   2HG2  VAL  64          HG22      VAL  64  10.402  -2.446  -3.523
  502   3HG2  VAL  64          HG23      VAL  64   9.441  -1.234  -2.682
  503    H    LEU  65           H        LEU  65   6.094  -3.493  -6.192
  504    HA   LEU  65           HA       LEU  65   6.187  -2.508  -8.985
  505   1HB   LEU  65          HB2       LEU  65   4.932  -4.628  -8.545
  506   2HB   LEU  65          HB3       LEU  65   3.988  -3.822  -7.306
  507    HG   LEU  65           HG       LEU  65   2.995  -2.317  -9.033
  508   1HD1  LEU  65          HD11      LEU  65   4.773  -2.328 -10.729
  509   2HD1  LEU  65          HD12      LEU  65   4.523  -4.067 -11.015
  510   3HD1  LEU  65          HD13      LEU  65   3.259  -2.889 -11.428
  511   1HD2  LEU  65          HD21      LEU  65   1.551  -4.005 -10.055
  512   2HD2  LEU  65          HD22      LEU  65   2.714  -5.284  -9.636
  513   3HD2  LEU  65          HD23      LEU  65   1.862  -4.394  -8.356
  514    H    LEU  66           H        LEU  66   4.527  -1.989  -5.782
  515    HA   LEU  66           HA       LEU  66   4.085   0.832  -6.457
  516   1HB   LEU  66          HB2       LEU  66   1.653   0.717  -6.410
  517   2HB   LEU  66          HB3       LEU  66   2.309  -0.257  -7.699
  518    HG   LEU  66           HG       LEU  66   2.001  -2.281  -6.131
  519   1HD1  LEU  66          HD11      LEU  66   0.042  -1.970  -4.525
  520   2HD1  LEU  66          HD12      LEU  66   1.553  -1.274  -3.972
  521   3HD1  LEU  66          HD13      LEU  66   0.305  -0.218  -4.672
  522   1HD2  LEU  66          HD21      LEU  66  -0.432  -0.794  -7.158
  523   2HD2  LEU  66          HD22      LEU  66   0.613  -1.911  -8.081
  524   3HD2  LEU  66          HD23      LEU  66  -0.363  -2.528  -6.755
  525    H    GLU  67           H        GLU  67   2.689   1.892  -4.770
  526    HA   GLU  67           HA       GLU  67   3.346   0.916  -2.039
  527   1HB   GLU  67          HB2       GLU  67   4.987   2.595  -2.892
  528   2HB   GLU  67          HB3       GLU  67   3.659   3.730  -3.173
  529   1HG   GLU  67          HG2       GLU  67   3.166   3.681  -0.714
  530   2HG   GLU  67          HG3       GLU  67   4.559   2.613  -0.488
  531    H    LEU  68           H        LEU  68   1.718   1.534  -0.492
  532    HA   LEU  68           HA       LEU  68  -0.883   2.313  -1.723
  533   1HB   LEU  68          HB2       LEU  68  -0.296   0.164   0.360
  534   2HB   LEU  68          HB3       LEU  68  -1.905   0.695  -0.103
  535    HG   LEU  68           HG       LEU  68   0.075  -0.703  -1.937
  536   1HD1  LEU  68          HD11      LEU  68  -2.520  -1.683  -0.678
  537   2HD1  LEU  68          HD12      LEU  68  -1.495  -2.588  -1.809
  538   3HD1  LEU  68          HD13      LEU  68  -0.874  -2.169  -0.204
  539   1HD2  LEU  68          HD21      LEU  68  -1.880  -0.860  -3.489
  540   2HD2  LEU  68          HD22      LEU  68  -2.799   0.210  -2.416
  541   3HD2  LEU  68          HD23      LEU  68  -1.319   0.775  -3.231
  542    H    SER  69           H        SER  69  -2.341   3.404  -0.428
  543    HA   SER  69           HA       SER  69  -1.377   5.010   1.758
  544   1HB   SER  69          HB2       SER  69  -4.229   4.319   0.932
  545   2HB   SER  69          HB3       SER  69  -3.710   5.706   1.910
  546    HG   SER  69           HG       SER  69  -4.009   6.317  -0.256
  547    H    ASN  70           H        ASN  70  -2.386   4.901   3.979
  548    HA   ASN  70           HA       ASN  70  -2.162   2.339   5.224
  549   1HB   ASN  70          HB2       ASN  70  -1.885   4.458   6.463
  550   2HB   ASN  70          HB3       ASN  70  -3.577   4.875   6.158
  551   1HD2  ASN  70          HD22      ASN  70  -4.983   4.352   7.812
  552   2HD2  ASN  70          HD21      ASN  70  -4.740   3.076   8.974
  553    H    SER  71           H        SER  71  -3.808   0.938   6.059
  554    HA   SER  71           HA       SER  71  -5.874   0.296   4.342
  555   1HB   SER  71          HB2       SER  71  -5.686  -0.374   7.301
  556   2HB   SER  71          HB3       SER  71  -6.442  -1.347   6.023
  557    HG   SER  71           HG       SER  71  -4.272  -1.986   6.672
  558    H    THR  72           H        THR  72  -5.985   2.719   6.883
  559    HA   THR  72           HA       THR  72  -8.861   3.177   6.335
  560    HB   THR  72           HB       THR  72  -8.929   3.927   8.804
  561    HG1  THR  72           HG1      THR  72  -7.441   3.007  10.159
  562   1HG2  THR  72          HG21      THR  72  -9.475   1.683   9.615
  563   2HG2  THR  72          HG22      THR  72 -10.070   1.880   7.960
  564   3HG2  THR  72          HG23      THR  72  -8.593   0.938   8.263
  565    H    GLN  73           H        GLN  73  -9.427   5.408   6.304
  566    HA   GLN  73           HA       GLN  73  -7.320   7.433   6.548
  567   1HB   GLN  73          HB2       GLN  73  -8.842   6.898   3.946
  568   2HB   GLN  73          HB3       GLN  73  -7.874   8.331   4.289
  569   1HG   GLN  73          HG2       GLN  73  -5.848   6.869   4.544
  570   2HG   GLN  73          HG3       GLN  73  -6.827   5.477   4.063
  571   1HE2  GLN  73          HE22      GLN  73  -5.454   8.578   2.928
  572   2HE2  GLN  73          HE21      GLN  73  -5.627   8.235   1.227
  Start of MODEL   18
    1   1H    THR   2          H1        THR   2   3.612  -2.879   1.202
    2   2H    THR   2          H2        THR   2   3.367  -1.267   1.058
    3   3H    THR   2          H3        THR   2   2.170  -2.330   0.641
    4    HA   THR   2           HA       THR   2   3.308  -1.436  -1.333
    5    HB   THR   2           HB       THR   2   5.672  -2.615  -1.589
    6    HG1  THR   2           HG1      THR   2   6.762  -2.825   0.314
    7   1HG2  THR   2          HG21      THR   2   5.381  -0.187  -1.678
    8   2HG2  THR   2          HG22      THR   2   5.317  -0.098   0.100
    9   3HG2  THR   2          HG23      THR   2   6.803  -0.608  -0.725
   10    H    VAL   3           H        VAL   3   3.794  -2.881  -3.261
   11    HA   VAL   3           HA       VAL   3   3.254  -5.755  -2.800
   12    HB   VAL   3           HB       VAL   3   1.909  -4.028  -4.924
   13   1HG1  VAL   3          HG11      VAL   3   1.731  -7.040  -4.493
   14   2HG1  VAL   3          HG12      VAL   3   0.781  -6.086  -5.662
   15   3HG1  VAL   3          HG13      VAL   3   2.517  -6.219  -5.856
   16   1HG2  VAL   3          HG21      VAL   3   0.731  -3.806  -2.785
   17   2HG2  VAL   3          HG22      VAL   3  -0.234  -4.768  -3.899
   18   3HG2  VAL   3          HG23      VAL   3   0.683  -5.568  -2.596
   19    H    SER   4           H        SER   4   4.654  -6.966  -4.123
   20    HA   SER   4           HA       SER   4   6.608  -5.474  -5.802
   21   1HB   SER   4          HB2       SER   4   7.204  -7.483  -3.593
   22   2HB   SER   4          HB3       SER   4   8.395  -6.632  -4.578
   23    HG   SER   4           HG       SER   4   8.040  -5.682  -2.487
   24    H    ILE   5           H        ILE   5   7.857  -6.817  -7.201
   25    HA   ILE   5           HA       ILE   5   6.324  -8.987  -8.406
   26    HB   ILE   5           HB       ILE   5   9.149  -7.973  -9.008
   27   1HG1  ILE   5          HG12      ILE   5   7.821  -7.100 -11.133
   28   2HG1  ILE   5          HG13      ILE   5   6.422  -7.128 -10.073
   29   1HG2  ILE   5          HG21      ILE   5   8.657 -10.275  -9.872
   30   2HG2  ILE   5          HG22      ILE   5   7.247  -9.628 -10.734
   31   3HG2  ILE   5          HG23      ILE   5   8.893  -9.113 -11.157
   32   1HD1  ILE   5          HD11      ILE   5   7.510  -5.451  -8.618
   33   2HD1  ILE   5          HD12      ILE   5   9.010  -5.578  -9.561
   34   3HD1  ILE   5          HD13      ILE   5   7.539  -4.911 -10.293
   35    H    GLN   6           H        GLN   6   6.851 -11.222  -8.234
   36    HA   GLN   6           HA       GLN   6   8.418 -11.849  -5.792
   37   1HB   GLN   6          HB2       GLN   6   6.478 -13.696  -7.209
   38   2HB   GLN   6          HB3       GLN   6   7.095 -13.785  -5.568
   39   1HG   GLN   6          HG2       GLN   6   5.031 -12.973  -5.085
   40   2HG   GLN   6          HG3       GLN   6   5.861 -11.436  -5.280
   41   1HE2  GLN   6          HE22      GLN   6   4.675  -9.979  -6.585
   42   2HE2  GLN   6          HE21      GLN   6   3.580 -10.493  -7.857
   43    H    MET   7           H        MET   7   9.331 -11.705  -8.924
   44    HA   MET   7           HA       MET   7  11.252 -13.865  -8.707
   45   1HB   MET   7          HB2       MET   7  10.560 -15.106 -10.653
   46   2HB   MET   7          HB3       MET   7   9.204 -15.030  -9.539
   47   1HG   MET   7          HG2       MET   7   8.630 -12.854 -11.085
   48   2HG   MET   7          HG3       MET   7   9.558 -13.813 -12.232
   49   1HE   MET   7          HE1       MET   7   6.152 -12.870 -11.321
   50   2HE   MET   7          HE2       MET   7   5.239 -14.326 -10.902
   51   3HE   MET   7          HE3       MET   7   6.487 -13.720  -9.795
   52    H    ALA   8           H        ALA   8  12.750 -13.786 -10.657
   53    HA   ALA   8           HA       ALA   8  13.287 -11.016 -11.444
   54   1HB   ALA   8          HB1       ALA   8  15.264 -11.997 -12.515
   55   2HB   ALA   8          HB2       ALA   8  15.111 -12.566 -10.834
   56   3HB   ALA   8          HB3       ALA   8  14.652 -13.632 -12.187
   57    H    GLY   9           H        GLY   9  12.978 -10.085 -13.479
   58   1HA   GLY   9          HA2       GLY   9  12.679 -11.485 -15.884
   59   2HA   GLY   9          HA3       GLY   9  11.052 -11.306 -15.229
   60    H    ASN  10           H        ASN  10  10.403  -9.906 -16.906
   61    HA   ASN  10           HA       ASN  10  11.323  -7.087 -16.604
   62   1HB   ASN  10          HB2       ASN  10  11.129  -8.702 -19.157
   63   2HB   ASN  10          HB3       ASN  10  10.622  -7.017 -19.162
   64   1HD2  ASN  10          HD22      ASN  10  13.392  -8.099 -17.105
   65   2HD2  ASN  10          HD21      ASN  10  14.592  -7.320 -18.115
   66    H    LEU  11           H        LEU  11   9.604  -5.729 -16.419
   67    HA   LEU  11           HA       LEU  11   7.110  -7.007 -15.731
   68   1HB   LEU  11          HB2       LEU  11   8.343  -5.019 -14.609
   69   2HB   LEU  11          HB3       LEU  11   7.712  -4.021 -15.903
   70    HG   LEU  11           HG       LEU  11   6.381  -3.836 -13.891
   71   1HD1  LEU  11          HD11      LEU  11   5.218  -3.695 -16.071
   72   2HD1  LEU  11          HD12      LEU  11   4.773  -5.413 -15.928
   73   3HD1  LEU  11          HD13      LEU  11   4.182  -4.285 -14.747
   74   1HD2  LEU  11          HD21      LEU  11   5.148  -5.647 -12.871
   75   2HD2  LEU  11          HD22      LEU  11   5.707  -6.806 -14.078
   76   3HD2  LEU  11          HD23      LEU  11   6.858  -6.088 -12.930
   77    H    TRP  12           H        TRP  12   5.558  -7.490 -17.213
   78    HA   TRP  12           HA       TRP  12   5.957  -6.795 -19.978
   79   1HB   TRP  12          HB2       TRP  12   5.068  -8.981 -18.943
   80   2HB   TRP  12          HB3       TRP  12   3.541  -8.149 -18.725
   81    HD1  TRP  12           HD1      TRP  12   6.003  -8.864 -21.587
   82    HE1  TRP  12           HE1      TRP  12   4.747  -9.560 -23.690
   83    HE3  TRP  12           HE3      TRP  12   1.223  -8.348 -19.847
   84    HZ2  TRP  12           HZ2      TRP  12   1.982  -9.914 -24.508
   85    HZ3  TRP  12           HZ3      TRP  12  -0.704  -8.941 -21.283
   86    HH2  TRP  12           HH2      TRP  12  -0.338  -9.721 -23.617
   87    H    LYS  13           H        LYS  13   3.210  -6.163 -17.676
   88    HA   LYS  13           HA       LYS  13   2.623  -3.590 -18.972
   89   1HB   LYS  13          HB2       LYS  13   0.702  -5.955 -18.915
   90   2HB   LYS  13          HB3       LYS  13   0.196  -4.279 -19.167
   91   1HG   LYS  13          HG2       LYS  13   1.716  -4.179 -21.181
   92   2HG   LYS  13          HG3       LYS  13   2.006  -5.916 -20.980
   93   1HD   LYS  13          HD2       LYS  13  -0.488  -6.286 -21.155
   94   2HD   LYS  13          HD3       LYS  13  -0.665  -4.557 -21.522
   95   1HE   LYS  13          HE2       LYS  13   0.891  -4.843 -23.466
   96   2HE   LYS  13          HE3       LYS  13   1.000  -6.572 -23.105
   97   1HZ   LYS  13          HZ1       LYS  13  -1.388  -6.739 -23.543
   98   2HZ   LYS  13          HZ2       LYS  13  -1.479  -5.140 -23.881
   99   3HZ   LYS  13          HZ3       LYS  13  -0.614  -6.130 -24.841
  100    H    VAL  14           H        VAL  14   1.041  -2.363 -17.684
  101    HA   VAL  14           HA       VAL  14   0.785  -3.256 -14.845
  102    HB   VAL  14           HB       VAL  14   1.755  -0.538 -15.860
  103   1HG1  VAL  14          HG11      VAL  14   0.321  -0.105 -13.924
  104   2HG1  VAL  14          HG12      VAL  14   1.106  -1.423 -13.008
  105   3HG1  VAL  14          HG13      VAL  14   2.010   0.042 -13.440
  106   1HG2  VAL  14          HG21      VAL  14   3.029  -2.626 -14.054
  107   2HG2  VAL  14          HG22      VAL  14   3.521  -2.242 -15.735
  108   3HG2  VAL  14          HG23      VAL  14   3.751  -1.050 -14.460
  109    H    HIS  15           H        HIS  15  -1.119  -2.633 -13.877
  110    HA   HIS  15           HA       HIS  15  -3.208  -1.482 -15.664
  111   1HB   HIS  15          HB2       HIS  15  -3.690  -3.714 -13.691
  112   2HB   HIS  15          HB3       HIS  15  -4.660  -3.246 -15.079
  113    HD1  HIS  15           HD1      HIS  15  -2.489  -3.529 -17.415
  114    HD2  HIS  15           HD2      HIS  15  -2.901  -6.090 -14.108
  115    HE1  HIS  15           HE1      HIS  15  -1.326  -5.721 -18.036
  116    H    VAL  16           H        VAL  16  -1.635  -0.136 -13.481
  117    HA   VAL  16           HA       VAL  16  -3.898   0.772 -11.800
  118    HB   VAL  16           HB       VAL  16  -2.302   0.996  -9.893
  119   1HG1  VAL  16          HG11      VAL  16  -3.972  -0.794  -9.904
  120   2HG1  VAL  16          HG12      VAL  16  -2.824  -1.877 -10.719
  121   3HG1  VAL  16          HG13      VAL  16  -2.487  -1.278  -9.074
  122   1HG2  VAL  16          HG21      VAL  16  -0.186   0.681 -11.290
  123   2HG2  VAL  16          HG22      VAL  16  -0.261  -0.148  -9.742
  124   3HG2  VAL  16          HG23      VAL  16  -0.535  -1.063 -11.243
  125    H    LYS  17           H        LYS  17  -3.416   2.856 -10.759
  126    HA   LYS  17           HA       LYS  17  -1.243   4.456 -11.794
  127   1HB   LYS  17          HB2       LYS  17  -2.690   6.346 -12.444
  128   2HB   LYS  17          HB3       LYS  17  -2.934   4.953 -13.496
  129   1HG   LYS  17          HG2       LYS  17  -5.028   4.383 -12.295
  130   2HG   LYS  17          HG3       LYS  17  -4.783   5.754 -11.196
  131   1HD   LYS  17          HD2       LYS  17  -4.903   7.317 -13.117
  132   2HD   LYS  17          HD3       LYS  17  -5.159   5.942 -14.215
  133   1HE   LYS  17          HE2       LYS  17  -7.222   5.336 -12.963
  134   2HE   LYS  17          HE3       LYS  17  -6.965   6.702 -11.871
  135   1HZ   LYS  17          HZ1       LYS  17  -7.233   8.187 -13.774
  136   2HZ   LYS  17          HZ2       LYS  17  -7.469   6.923 -14.784
  137   3HZ   LYS  17          HZ3       LYS  17  -8.548   7.243 -13.608
  138    H    ALA  18           H        ALA  18  -0.979   6.344 -10.308
  139    HA   ALA  18           HA       ALA  18  -1.647   5.817  -7.592
  140   1HB   ALA  18          HB1       ALA  18  -0.895   8.126  -7.175
  141   2HB   ALA  18          HB2       ALA  18   0.234   7.279  -8.252
  142   3HB   ALA  18          HB3       ALA  18  -0.915   8.466  -8.918
  143    H    GLY  19           H        GLY  19  -3.441   6.315  -6.397
  144   1HA   GLY  19          HA2       GLY  19  -5.404   7.433  -5.815
  145   2HA   GLY  19          HA3       GLY  19  -5.533   8.126  -7.437
  146    H    ASP  20           H        ASP  20  -4.868   4.999  -8.211
  147    HA   ASP  20           HA       ASP  20  -7.643   4.181  -8.551
  148   1HB   ASP  20          HB2       ASP  20  -5.712   3.588 -10.098
  149   2HB   ASP  20          HB3       ASP  20  -5.109   2.523  -8.826
  150    H    GLN  21           H        GLN  21  -8.199   1.855  -7.704
  151    HA   GLN  21           HA       GLN  21  -7.170   1.404  -4.945
  152   1HB   GLN  21          HB2       GLN  21  -9.395   2.532  -4.842
  153   2HB   GLN  21          HB3       GLN  21 -10.090   1.229  -5.816
  154   1HG   GLN  21          HG2       GLN  21  -9.511  -0.416  -4.063
  155   2HG   GLN  21          HG3       GLN  21  -8.761   0.845  -3.088
  156   1HE2  GLN  21          HE22      GLN  21 -10.843  -0.873  -2.168
  157   2HE2  GLN  21          HE21      GLN  21 -12.257   0.103  -1.854
  158    H    ILE  22           H        ILE  22  -6.899  -0.759  -4.443
  159    HA   ILE  22           HA       ILE  22  -7.607  -2.789  -6.482
  160    HB   ILE  22           HB       ILE  22  -5.425  -3.782  -6.388
  161   1HG1  ILE  22          HG12      ILE  22  -4.655  -1.612  -4.386
  162   2HG1  ILE  22          HG13      ILE  22  -4.795  -3.347  -4.082
  163   1HG2  ILE  22          HG21      ILE  22  -5.051  -0.804  -6.906
  164   2HG2  ILE  22          HG22      ILE  22  -4.125  -2.134  -7.604
  165   3HG2  ILE  22          HG23      ILE  22  -5.827  -1.945  -8.026
  166   1HD1  ILE  22          HD11      ILE  22  -2.495  -2.956  -4.279
  167   2HD1  ILE  22          HD12      ILE  22  -2.935  -3.665  -5.826
  168   3HD1  ILE  22          HD13      ILE  22  -2.693  -1.912  -5.709
  169    H    GLU  23           H        GLU  23  -7.367  -5.029  -5.535
  170    HA   GLU  23           HA       GLU  23  -8.003  -5.112  -2.647
  171   1HB   GLU  23          HB2       GLU  23 -10.091  -4.923  -3.861
  172   2HB   GLU  23          HB3       GLU  23  -9.636  -6.271  -4.935
  173   1HG   GLU  23          HG2       GLU  23  -9.671  -7.817  -3.007
  174   2HG   GLU  23          HG3       GLU  23  -9.991  -6.474  -1.908
  175    H    LYS  24           H        LYS  24  -7.230  -6.968  -1.679
  176    HA   LYS  24           HA       LYS  24  -5.034  -8.315  -2.562
  177   1HB   LYS  24          HB2       LYS  24  -6.133  -8.195  -0.274
  178   2HB   LYS  24          HB3       LYS  24  -7.204  -9.501  -0.778
  179   1HG   LYS  24          HG2       LYS  24  -5.201 -10.977  -1.099
  180   2HG   LYS  24          HG3       LYS  24  -4.164  -9.627  -0.616
  181   1HD   LYS  24          HD2       LYS  24  -5.594  -9.544   1.573
  182   2HD   LYS  24          HD3       LYS  24  -6.252 -11.091   1.048
  183   1HE   LYS  24          HE2       LYS  24  -4.554 -11.640   2.564
  184   2HE   LYS  24          HE3       LYS  24  -3.838 -11.961   0.980
  185   1HZ   LYS  24          HZ1       LYS  24  -3.418  -9.458   2.544
  186   2HZ   LYS  24          HZ2       LYS  24  -2.378 -10.732   2.532
  187   3HZ   LYS  24          HZ3       LYS  24  -2.636  -9.881   1.160
  188    H    GLY  25           H        GLY  25  -4.673  -9.603  -4.315
  189   1HA   GLY  25          HA2       GLY  25  -4.906 -11.646  -5.441
  190   2HA   GLY  25          HA3       GLY  25  -6.615 -11.732  -5.008
  191    H    GLN  26           H        GLN  26  -6.463  -8.591  -5.995
  192    HA   GLN  26           HA       GLN  26  -7.505  -9.086  -8.638
  193   1HB   GLN  26          HB2       GLN  26  -7.944  -7.045  -7.094
  194   2HB   GLN  26          HB3       GLN  26  -6.326  -6.488  -7.572
  195   1HG   GLN  26          HG2       GLN  26  -7.313  -6.842 -10.040
  196   2HG   GLN  26          HG3       GLN  26  -8.858  -6.756  -9.214
  197   1HE2  GLN  26          HE22      GLN  26  -6.147  -4.989 -10.450
  198   2HE2  GLN  26          HE21      GLN  26  -6.673  -3.389  -9.941
  199    H    GLU  27           H        GLU  27  -6.392  -8.924 -10.622
  200    HA   GLU  27           HA       GLU  27  -3.480  -9.088 -10.686
  201   1HB   GLU  27          HB2       GLU  27  -5.068 -10.176 -12.319
  202   2HB   GLU  27          HB3       GLU  27  -5.513  -8.569 -12.902
  203   1HG   GLU  27          HG2       GLU  27  -3.107  -8.213 -13.566
  204   2HG   GLU  27          HG3       GLU  27  -2.744  -9.849 -13.019
  205    H    VAL  28           H        VAL  28  -2.053  -7.384 -11.042
  206    HA   VAL  28           HA       VAL  28  -3.142  -4.672 -11.585
  207    HB   VAL  28           HB       VAL  28  -1.585  -3.766  -9.835
  208   1HG1  VAL  28          HG11      VAL  28  -3.811  -5.566  -8.782
  209   2HG1  VAL  28          HG12      VAL  28  -3.106  -4.152  -7.985
  210   3HG1  VAL  28          HG13      VAL  28  -4.024  -3.944  -9.481
  211   1HG2  VAL  28          HG21      VAL  28  -0.133  -5.747  -9.478
  212   2HG2  VAL  28          HG22      VAL  28  -0.901  -5.207  -7.973
  213   3HG2  VAL  28          HG23      VAL  28  -1.533  -6.626  -8.821
  214    H    ALA  29           H        ALA  29  -0.566  -7.024 -12.050
  215    HA   ALA  29           HA       ALA  29   0.290  -5.467 -14.334
  216   1HB   ALA  29          HB1       ALA  29   2.733  -5.682 -13.665
  217   2HB   ALA  29          HB2       ALA  29   1.819  -4.510 -12.704
  218   3HB   ALA  29          HB3       ALA  29   2.207  -6.101 -12.028
  219    H    ILE  30           H        ILE  30   2.099  -6.855 -15.413
  220    HA   ILE  30           HA       ILE  30   1.791  -9.768 -14.926
  221    HB   ILE  30           HB       ILE  30   1.407  -8.327 -17.580
  222   1HG1  ILE  30          HG12      ILE  30  -0.331 -10.446 -16.230
  223   2HG1  ILE  30          HG13      ILE  30  -0.609  -8.720 -16.085
  224   1HG2  ILE  30          HG21      ILE  30   1.822 -11.325 -17.151
  225   2HG2  ILE  30          HG22      ILE  30   1.388 -10.560 -18.690
  226   3HG2  ILE  30          HG23      ILE  30   2.951 -10.238 -17.988
  227   1HD1  ILE  30          HD11      ILE  30  -2.109  -9.555 -17.735
  228   2HD1  ILE  30          HD12      ILE  30  -0.907  -8.539 -18.547
  229   3HD1  ILE  30          HD13      ILE  30  -0.808 -10.316 -18.654
  230    H    LEU  31           H        LEU  31   3.704 -10.875 -15.454
  231    HA   LEU  31           HA       LEU  31   6.167  -9.230 -15.862
  232   1HB   LEU  31          HB2       LEU  31   5.942  -9.800 -13.575
  233   2HB   LEU  31          HB3       LEU  31   5.424 -11.455 -13.915
  234    HG   LEU  31           HG       LEU  31   7.648 -11.129 -12.878
  235   1HD1  LEU  31          HD11      LEU  31   7.052 -13.218 -14.025
  236   2HD1  LEU  31          HD12      LEU  31   7.794 -12.624 -15.514
  237   3HD1  LEU  31          HD13      LEU  31   8.785 -12.859 -14.071
  238   1HD2  LEU  31          HD21      LEU  31   9.502 -10.301 -13.980
  239   2HD2  LEU  31          HD22      LEU  31   8.727 -10.349 -15.579
  240   3HD2  LEU  31          HD23      LEU  31   8.230  -9.135 -14.388
  241    H    GLU  32           H        GLU  32   7.511 -10.025 -17.453
  242    HA   GLU  32           HA       GLU  32   6.786 -12.586 -18.790
  243   1HB   GLU  32          HB2       GLU  32   6.762 -10.555 -20.202
  244   2HB   GLU  32          HB3       GLU  32   8.434 -10.205 -19.744
  245   1HG   GLU  32          HG2       GLU  32   9.100 -12.433 -20.745
  246   2HG   GLU  32          HG3       GLU  32   7.434 -12.644 -21.278
  247    H    SER  33           H        SER  33   8.139 -14.267 -18.354
  248    HA   SER  33           HA       SER  33  10.960 -14.040 -18.141
  249   1HB   SER  33          HB2       SER  33  10.208 -13.195 -15.819
  250   2HB   SER  33          HB3       SER  33   9.609 -14.832 -15.518
  251    HG   SER  33           HG       SER  33  11.836 -14.170 -14.870
  252    H    MET  34           H        MET  34  11.833 -16.320 -17.575
  253    HA   MET  34           HA       MET  34  11.899 -18.536 -18.099
  254   1HB   MET  34          HB2       MET  34   9.131 -18.503 -16.832
  255   2HB   MET  34          HB3       MET  34  10.183 -19.907 -16.982
  256   1HG   MET  34          HG2       MET  34  11.794 -19.010 -15.467
  257   2HG   MET  34          HG3       MET  34  11.031 -17.424 -15.442
  258   1HE   MET  34          HE1       MET  34   8.029 -17.678 -14.960
  259   2HE   MET  34          HE2       MET  34   7.957 -17.746 -13.189
  260   3HE   MET  34          HE3       MET  34   9.111 -16.658 -13.984
  261    H    LYS  35           H        LYS  35  10.943 -16.832 -20.254
  262    HA   LYS  35           HA       LYS  35   9.919 -16.781 -22.250
  263   1HB   LYS  35          HB2       LYS  35  10.277 -19.807 -22.155
  264   2HB   LYS  35          HB3       LYS  35   9.807 -18.880 -23.567
  265   1HG   LYS  35          HG2       LYS  35  12.048 -19.279 -23.887
  266   2HG   LYS  35          HG3       LYS  35  11.960 -17.585 -23.409
  267   1HD   LYS  35          HD2       LYS  35  12.847 -18.130 -21.182
  268   2HD   LYS  35          HD3       LYS  35  12.647 -19.860 -21.493
  269   1HE   LYS  35          HE2       LYS  35  14.976 -19.319 -21.710
  270   2HE   LYS  35          HE3       LYS  35  14.343 -19.728 -23.305
  271   1HZ   LYS  35          HZ1       LYS  35  14.260 -17.351 -23.804
  272   2HZ   LYS  35          HZ2       LYS  35  14.817 -16.972 -22.311
  273   3HZ   LYS  35          HZ3       LYS  35  15.765 -17.775 -23.361
  274    H    MET  36           H        MET  36   8.181 -16.644 -19.999
  275    HA   MET  36           HA       MET  36   5.609 -17.394 -21.232
  276   1HB   MET  36          HB2       MET  36   6.526 -18.057 -18.392
  277   2HB   MET  36          HB3       MET  36   4.841 -18.098 -18.913
  278   1HG   MET  36          HG2       MET  36   5.389 -19.808 -20.607
  279   2HG   MET  36          HG3       MET  36   7.053 -19.848 -20.031
  280   1HE   MET  36          HE1       MET  36   6.792 -21.474 -16.504
  281   2HE   MET  36          HE2       MET  36   7.861 -20.848 -17.777
  282   3HE   MET  36          HE3       MET  36   6.838 -19.733 -16.841
  283    H    GLU  37           H        GLU  37   3.847 -16.298 -19.785
  284    HA   GLU  37           HA       GLU  37   4.802 -13.742 -18.626
  285   1HB   GLU  37          HB2       GLU  37   2.214 -14.131 -20.187
  286   2HB   GLU  37          HB3       GLU  37   2.698 -12.703 -19.285
  287   1HG   GLU  37          HG2       GLU  37   3.195 -12.100 -21.460
  288   2HG   GLU  37          HG3       GLU  37   4.760 -12.566 -20.810
  289    H    ILE  38           H        ILE  38   3.902 -13.331 -16.628
  290    HA   ILE  38           HA       ILE  38   2.181 -15.419 -15.403
  291    HB   ILE  38           HB       ILE  38   4.749 -14.213 -14.254
  292   1HG1  ILE  38          HG12      ILE  38   5.325 -16.859 -14.329
  293   2HG1  ILE  38          HG13      ILE  38   4.273 -16.806 -15.729
  294   1HG2  ILE  38          HG21      ILE  38   2.931 -16.411 -13.181
  295   2HG2  ILE  38          HG22      ILE  38   4.462 -15.884 -12.459
  296   3HG2  ILE  38          HG23      ILE  38   3.105 -14.767 -12.516
  297   1HD1  ILE  38          HD11      ILE  38   6.589 -16.556 -16.414
  298   2HD1  ILE  38          HD12      ILE  38   5.825 -14.986 -16.674
  299   3HD1  ILE  38          HD13      ILE  38   6.854 -15.245 -15.255
  300    HA   PRO  39           HA       PRO  39   0.220 -11.548 -14.218
  301   1HB   PRO  39          HB2       PRO  39  -1.584 -12.407 -12.340
  302   2HB   PRO  39          HB3       PRO  39  -1.774 -12.708 -14.094
  303   1HG   PRO  39          HG2       PRO  39  -0.641 -14.587 -12.002
  304   2HG   PRO  39          HG3       PRO  39  -1.870 -14.939 -13.261
  305   1HD   PRO  39          HD2       PRO  39   0.763 -15.549 -13.603
  306   2HD   PRO  39          HD3       PRO  39  -0.239 -14.979 -14.971
  307    H    ILE  40           H        ILE  40   0.326 -10.022 -12.553
  308    HA   ILE  40           HA       ILE  40   1.712 -10.759 -10.020
  309    HB   ILE  40           HB       ILE  40   1.999  -8.277 -11.733
  310   1HG1  ILE  40          HG12      ILE  40   3.353 -10.085 -12.612
  311   2HG1  ILE  40          HG13      ILE  40   4.314  -8.754 -11.998
  312   1HG2  ILE  40          HG21      ILE  40   3.108  -8.792  -8.952
  313   2HG2  ILE  40          HG22      ILE  40   3.654  -7.488 -10.025
  314   3HG2  ILE  40          HG23      ILE  40   1.984  -7.519  -9.452
  315   1HD1  ILE  40          HD11      ILE  40   5.317 -10.892 -11.413
  316   2HD1  ILE  40          HD12      ILE  40   4.838 -10.038  -9.945
  317   3HD1  ILE  40          HD13      ILE  40   3.858 -11.400 -10.546
  318    H    VAL  41           H        VAL  41   0.337 -10.505  -8.406
  319    HA   VAL  41           HA       VAL  41  -2.157  -8.977  -8.856
  320    HB   VAL  41           HB       VAL  41  -3.052 -10.512  -7.038
  321   1HG1  VAL  41          HG11      VAL  41  -2.190 -11.791  -9.662
  322   2HG1  VAL  41          HG12      VAL  41  -3.436 -12.410  -8.547
  323   3HG1  VAL  41          HG13      VAL  41  -3.679 -10.864  -9.344
  324   1HG2  VAL  41          HG21      VAL  41  -0.620 -12.230  -7.687
  325   2HG2  VAL  41          HG22      VAL  41  -0.844 -11.323  -6.169
  326   3HG2  VAL  41          HG23      VAL  41  -1.964 -12.622  -6.602
  327    H    ALA  42           H        ALA  42  -3.120  -7.949  -7.072
  328    HA   ALA  42           HA       ALA  42  -1.449  -6.374  -5.363
  329   1HB   ALA  42          HB1       ALA  42  -3.725  -5.721  -6.164
  330   2HB   ALA  42          HB2       ALA  42  -4.413  -7.059  -5.248
  331   3HB   ALA  42          HB3       ALA  42  -3.626  -5.723  -4.384
  332    H    ASP  43           H        ASP  43  -0.197  -7.502  -3.882
  333    HA   ASP  43           HA       ASP  43  -1.053  -9.907  -2.570
  334   1HB   ASP  43          HB2       ASP  43   1.309  -9.282  -2.916
  335   2HB   ASP  43          HB3       ASP  43   1.115  -7.905  -1.828
  336    H    ARG  44           H        ARG  44  -1.929  -6.619  -2.013
  337    HA   ARG  44           HA       ARG  44  -3.696  -7.412   0.118
  338   1HB   ARG  44          HB2       ARG  44  -3.003  -5.413   1.547
  339   2HB   ARG  44          HB3       ARG  44  -2.036  -6.869   1.694
  340   1HG   ARG  44          HG2       ARG  44  -1.137  -4.748  -0.254
  341   2HG   ARG  44          HG3       ARG  44  -0.953  -4.438   1.460
  342   1HD   ARG  44          HD2       ARG  44   0.004  -7.140   0.911
  343   2HD   ARG  44          HD3       ARG  44   0.733  -6.028  -0.250
  344    HE   ARG  44           HE       ARG  44   0.982  -4.794   2.246
  345   1HH1  ARG  44          HH21      ARG  44   2.218  -7.866   0.858
  346   2HH1  ARG  44          HH22      ARG  44   3.776  -7.653   1.575
  347   1HH2  ARG  44          HH11      ARG  44   2.791  -4.834   3.470
  348   2HH2  ARG  44          HH12      ARG  44   4.122  -5.894   3.127
  349    H    SER  45           H        SER  45  -5.368  -5.800   0.400
  350    HA   SER  45           HA       SER  45  -5.993  -4.271  -1.943
  351   1HB   SER  45          HB2       SER  45  -7.208  -4.128   0.837
  352   2HB   SER  45          HB3       SER  45  -8.018  -3.774  -0.697
  353    HG   SER  45           HG       SER  45  -8.472  -5.882   0.269
  354    H    GLY  46           H        GLY  46  -6.393  -1.899  -1.968
  355   1HA   GLY  46          HA2       GLY  46  -6.164  -0.133   0.090
  356   2HA   GLY  46          HA3       GLY  46  -4.479  -0.314  -0.426
  357    H    ILE  47           H        ILE  47  -5.159   2.112  -0.660
  358    HA   ILE  47           HA       ILE  47  -6.120   2.703  -3.413
  359    HB   ILE  47           HB       ILE  47  -5.137   4.509  -1.156
  360   1HG1  ILE  47          HG12      ILE  47  -7.332   3.585  -0.596
  361   2HG1  ILE  47          HG13      ILE  47  -7.409   5.310  -0.901
  362   1HG2  ILE  47          HG21      ILE  47  -4.599   5.573  -3.249
  363   2HG2  ILE  47          HG22      ILE  47  -6.212   5.243  -3.906
  364   3HG2  ILE  47          HG23      ILE  47  -6.003   6.391  -2.564
  365   1HD1  ILE  47          HD11      ILE  47  -8.256   3.147  -2.870
  366   2HD1  ILE  47          HD12      ILE  47  -9.339   4.132  -1.873
  367   3HD1  ILE  47          HD13      ILE  47  -8.377   4.898  -3.150
  368    H    VAL  48           H        VAL  48  -4.593   3.053  -4.987
  369    HA   VAL  48           HA       VAL  48  -1.821   2.309  -4.532
  370    HB   VAL  48           HB       VAL  48  -3.112   3.550  -6.965
  371   1HG1  VAL  48          HG11      VAL  48  -0.605   3.590  -6.935
  372   2HG1  VAL  48          HG12      VAL  48  -0.587   1.836  -6.635
  373   3HG1  VAL  48          HG13      VAL  48  -1.237   2.479  -8.158
  374   1HG2  VAL  48          HG21      VAL  48  -4.303   1.467  -6.438
  375   2HG2  VAL  48          HG22      VAL  48  -3.254   1.224  -7.828
  376   3HG2  VAL  48          HG23      VAL  48  -2.761   0.606  -6.232
  377    H    LYS  49           H        LYS  49  -0.720   3.634  -3.230
  378    HA   LYS  49           HA       LYS  49  -1.124   6.524  -3.162
  379   1HB   LYS  49          HB2       LYS  49  -0.493   5.211  -1.161
  380   2HB   LYS  49          HB3       LYS  49   1.030   4.736  -1.934
  381   1HG   LYS  49          HG2       LYS  49   1.773   7.079  -1.969
  382   2HG   LYS  49          HG3       LYS  49   0.209   7.602  -1.305
  383   1HD   LYS  49          HD2       LYS  49   0.649   6.315   0.771
  384   2HD   LYS  49          HD3       LYS  49   2.151   5.697   0.081
  385   1HE   LYS  49          HE2       LYS  49   2.727   7.459   1.592
  386   2HE   LYS  49          HE3       LYS  49   3.053   8.013  -0.051
  387   1HZ   LYS  49          HZ1       LYS  49   0.669   8.744   1.559
  388   2HZ   LYS  49          HZ2       LYS  49   1.952   9.704   1.283
  389   3HZ   LYS  49          HZ3       LYS  49   0.983   9.287   0.045
  390    H    GLU  50           H        GLU  50   1.220   4.162  -4.597
  391    HA   GLU  50           HA       GLU  50   1.800   6.114  -6.668
  392   1HB   GLU  50          HB2       GLU  50   3.362   6.673  -4.668
  393   2HB   GLU  50          HB3       GLU  50   4.182   5.156  -5.020
  394   1HG   GLU  50          HG2       GLU  50   4.809   5.955  -7.233
  395   2HG   GLU  50          HG3       GLU  50   3.762   7.366  -7.075
  396    H    VAL  51           H        VAL  51   3.242   5.070  -8.373
  397    HA   VAL  51           HA       VAL  51   3.158   2.092  -8.297
  398    HB   VAL  51           HB       VAL  51   2.868   3.860 -10.770
  399   1HG1  VAL  51          HG11      VAL  51   2.217   1.742 -11.873
  400   2HG1  VAL  51          HG12      VAL  51   3.857   1.633 -11.229
  401   3HG1  VAL  51          HG13      VAL  51   2.511   0.845 -10.371
  402   1HG2  VAL  51          HG21      VAL  51   0.515   3.056 -10.865
  403   2HG2  VAL  51          HG22      VAL  51   0.730   2.285  -9.276
  404   3HG2  VAL  51          HG23      VAL  51   0.797   4.057  -9.439
  405    H    LYS  52           H        LYS  52   5.131   1.153  -8.749
  406    HA   LYS  52           HA       LYS  52   7.426   3.067  -8.763
  407   1HB   LYS  52          HB2       LYS  52   7.273   0.307  -7.528
  408   2HB   LYS  52          HB3       LYS  52   8.533   1.514  -7.272
  409   1HG   LYS  52          HG2       LYS  52   5.649   1.612  -6.291
  410   2HG   LYS  52          HG3       LYS  52   7.059   1.271  -5.324
  411   1HD   LYS  52          HD2       LYS  52   6.619   3.962  -6.685
  412   2HD   LYS  52          HD3       LYS  52   6.029   3.543  -5.079
  413   1HE   LYS  52          HE2       LYS  52   8.515   2.844  -4.593
  414   2HE   LYS  52          HE3       LYS  52   8.892   3.853  -6.000
  415   1HZ   LYS  52          HZ1       LYS  52   7.475   4.689  -3.529
  416   2HZ   LYS  52          HZ2       LYS  52   8.981   5.166  -3.994
  417   3HZ   LYS  52          HZ3       LYS  52   7.653   5.661  -4.842
  418    H    LYS  53           H        LYS  53   5.997   1.202 -11.011
  419    HA   LYS  53           HA       LYS  53   8.542   0.717 -12.371
  420   1HB   LYS  53          HB2       LYS  53   6.396  -1.436 -11.998
  421   2HB   LYS  53          HB3       LYS  53   7.675  -1.559 -13.194
  422   1HG   LYS  53          HG2       LYS  53   8.105  -1.413 -10.200
  423   2HG   LYS  53          HG3       LYS  53   8.160  -2.873 -11.176
  424   1HD   LYS  53          HD2       LYS  53  10.100  -2.130 -12.398
  425   2HD   LYS  53          HD3       LYS  53  10.051  -0.525 -11.686
  426   1HE   LYS  53          HE2       LYS  53  10.537  -3.069 -10.104
  427   2HE   LYS  53          HE3       LYS  53  11.790  -1.978 -10.702
  428   1HZ   LYS  53          HZ1       LYS  53   9.698  -1.355  -8.722
  429   2HZ   LYS  53          HZ2       LYS  53  11.296  -1.527  -8.449
  430   3HZ   LYS  53          HZ3       LYS  53  10.727  -0.222  -9.330
  431    H    LYS  54           H        LYS  54   7.898  -0.128 -14.680
  432    HA   LYS  54           HA       LYS  54   5.566   1.209 -15.781
  433   1HB   LYS  54          HB2       LYS  54   6.860   2.493 -17.419
  434   2HB   LYS  54          HB3       LYS  54   7.231   3.030 -15.782
  435   1HG   LYS  54          HG2       LYS  54   9.353   1.711 -15.833
  436   2HG   LYS  54          HG3       LYS  54   8.976   1.181 -17.484
  437   1HD   LYS  54          HD2       LYS  54   9.001   3.538 -18.249
  438   2HD   LYS  54          HD3       LYS  54   9.386   4.069 -16.596
  439   1HE   LYS  54          HE2       LYS  54  11.471   2.714 -16.653
  440   2HE   LYS  54          HE3       LYS  54  11.088   2.185 -18.296
  441   1HZ   LYS  54          HZ1       LYS  54  12.648   4.025 -18.299
  442   2HZ   LYS  54          HZ2       LYS  54  11.262   4.499 -19.010
  443   3HZ   LYS  54          HZ3       LYS  54  11.615   4.989 -17.491
  444    H    GLU  55           H        GLU  55   5.353   0.550 -18.078
  445    HA   GLU  55           HA       GLU  55   5.723  -2.281 -18.281
  446   1HB   GLU  55          HB2       GLU  55   4.910  -0.318 -20.473
  447   2HB   GLU  55          HB3       GLU  55   4.575  -2.057 -20.398
  448   1HG   GLU  55          HG2       GLU  55   3.304  -1.576 -18.221
  449   2HG   GLU  55          HG3       GLU  55   3.443   0.137 -18.600
  450    H    GLY  56           H        GLY  56   7.406  -3.399 -19.087
  451   1HA   GLY  56          HA2       GLY  56   9.043  -3.921 -20.647
  452   2HA   GLY  56          HA3       GLY  56   9.269  -2.213 -21.045
  453    H    ASP  57           H        ASP  57   9.216  -2.167 -17.699
  454    HA   ASP  57           HA       ASP  57  12.083  -1.773 -17.651
  455   1HB   ASP  57          HB2       ASP  57  10.396  -0.438 -16.351
  456   2HB   ASP  57          HB3       ASP  57  10.167  -1.837 -15.296
  457    H    PHE  58           H        PHE  58  13.557  -2.810 -16.154
  458    HA   PHE  58           HA       PHE  58  13.345  -5.741 -16.039
  459   1HB   PHE  58          HB2       PHE  58  15.515  -4.671 -16.448
  460   2HB   PHE  58          HB3       PHE  58  15.365  -3.725 -14.974
  461    HD1  PHE  58           HD1      PHE  58  15.863  -4.679 -12.786
  462    HD2  PHE  58           HD2      PHE  58  15.986  -7.129 -16.336
  463    HE1  PHE  58           HE1      PHE  58  17.063  -6.448 -11.529
  464    HE2  PHE  58           HE2      PHE  58  17.177  -8.898 -15.073
  465    HZ   PHE  58           HZ       PHE  58  17.742  -8.552 -12.677
  466    H    VAL  59           H        VAL  59  13.030  -6.953 -14.095
  467    HA   VAL  59           HA       VAL  59  12.549  -5.505 -11.589
  468    HB   VAL  59           HB       VAL  59  10.423  -6.864 -11.252
  469   1HG1  VAL  59          HG11      VAL  59   8.988  -5.177 -12.247
  470   2HG1  VAL  59          HG12      VAL  59  10.451  -4.450 -11.570
  471   3HG1  VAL  59          HG13      VAL  59  10.290  -4.650 -13.328
  472   1HG2  VAL  59          HG21      VAL  59  10.618  -8.384 -13.191
  473   2HG2  VAL  59          HG22      VAL  59   9.096  -7.468 -13.196
  474   3HG2  VAL  59          HG23      VAL  59  10.407  -7.005 -14.294
  475    H    ASN  60           H        ASN  60  12.339  -6.995  -9.747
  476    HA   ASN  60           HA       ASN  60  13.553  -9.613 -10.178
  477   1HB   ASN  60          HB2       ASN  60  15.220  -7.450  -9.620
  478   2HB   ASN  60          HB3       ASN  60  14.913  -8.132  -8.023
  479   1HD2  ASN  60          HD22      ASN  60  15.654  -9.146 -11.417
  480   2HD2  ASN  60          HD21      ASN  60  16.748 -10.439 -10.966
  481    H    GLU  61           H        GLU  61  13.744 -10.825  -8.081
  482    HA   GLU  61           HA       GLU  61  11.187 -10.953  -6.827
  483   1HB   GLU  61          HB2       GLU  61  12.617 -12.889  -7.091
  484   2HB   GLU  61          HB3       GLU  61  13.921 -12.135  -6.191
  485   1HG   GLU  61          HG2       GLU  61  12.434 -12.140  -4.142
  486   2HG   GLU  61          HG3       GLU  61  11.193 -12.960  -5.085
  487    H    GLY  62           H        GLY  62  10.391  -9.496  -5.446
  488   1HA   GLY  62          HA2       GLY  62  10.250  -8.427  -3.389
  489   2HA   GLY  62          HA3       GLY  62  12.007  -8.492  -3.191
  490    H    ASP  63           H        ASP  63  11.432  -7.387  -6.362
  491    HA   ASP  63           HA       ASP  63  12.092  -4.628  -5.651
  492   1HB   ASP  63          HB2       ASP  63  12.928  -5.918  -7.703
  493   2HB   ASP  63          HB3       ASP  63  11.304  -5.748  -8.367
  494    H    VAL  64           H        VAL  64  10.583  -2.937  -5.550
  495    HA   VAL  64           HA       VAL  64   7.888  -3.770  -5.018
  496    HB   VAL  64           HB       VAL  64   8.972  -0.931  -5.191
  497   1HG1  VAL  64          HG11      VAL  64   7.153  -0.464  -3.549
  498   2HG1  VAL  64          HG12      VAL  64   6.504  -1.057  -5.078
  499   3HG1  VAL  64          HG13      VAL  64   6.606  -2.150  -3.688
  500   1HG2  VAL  64          HG21      VAL  64   9.289  -1.124  -2.714
  501   2HG2  VAL  64          HG22      VAL  64   8.939  -2.864  -2.825
  502   3HG2  VAL  64          HG23      VAL  64  10.382  -2.179  -3.606
  503    H    LEU  65           H        LEU  65   6.067  -3.564  -6.213
  504    HA   LEU  65           HA       LEU  65   6.258  -2.701  -9.046
  505   1HB   LEU  65          HB2       LEU  65   5.337  -4.959  -8.490
  506   2HB   LEU  65          HB3       LEU  65   4.095  -4.234  -7.506
  507    HG   LEU  65           HG       LEU  65   3.492  -5.061  -9.782
  508   1HD1  LEU  65          HD11      LEU  65   1.980  -3.596  -8.546
  509   2HD1  LEU  65          HD12      LEU  65   2.690  -2.178  -9.369
  510   3HD1  LEU  65          HD13      LEU  65   1.838  -3.416 -10.296
  511   1HD2  LEU  65          HD21      LEU  65   5.442  -4.087 -11.024
  512   2HD2  LEU  65          HD22      LEU  65   3.877  -3.712 -11.761
  513   3HD2  LEU  65          HD23      LEU  65   4.714  -2.476 -10.815
  514    H    LEU  66           H        LEU  66   4.225  -2.345  -6.080
  515    HA   LEU  66           HA       LEU  66   3.862   0.502  -6.737
  516   1HB   LEU  66          HB2       LEU  66   1.455   0.518  -6.634
  517   2HB   LEU  66          HB3       LEU  66   2.046  -0.447  -7.958
  518    HG   LEU  66           HG       LEU  66   1.613  -2.508  -6.526
  519   1HD1  LEU  66          HD11      LEU  66   1.391  -1.651  -4.282
  520   2HD1  LEU  66          HD12      LEU  66   0.188  -0.454  -4.808
  521   3HD1  LEU  66          HD13      LEU  66  -0.198  -2.193  -4.773
  522   1HD2  LEU  66          HD21      LEU  66  -0.780  -2.541  -7.035
  523   2HD2  LEU  66          HD22      LEU  66  -0.761  -0.776  -7.274
  524   3HD2  LEU  66          HD23      LEU  66   0.149  -1.859  -8.358
  525    H    GLU  67           H        GLU  67   2.535   1.636  -5.040
  526    HA   GLU  67           HA       GLU  67   3.329   0.727  -2.322
  527   1HB   GLU  67          HB2       GLU  67   4.927   2.330  -3.389
  528   2HB   GLU  67          HB3       GLU  67   3.603   3.487  -3.587
  529   1HG   GLU  67          HG2       GLU  67   3.332   3.557  -1.110
  530   2HG   GLU  67          HG3       GLU  67   4.688   2.435  -0.943
  531    H    LEU  68           H        LEU  68   1.761   1.330  -0.715
  532    HA   LEU  68           HA       LEU  68  -0.866   2.167  -1.841
  533   1HB   LEU  68          HB2       LEU  68  -0.246  -0.070   0.130
  534   2HB   LEU  68          HB3       LEU  68  -1.868   0.485  -0.251
  535    HG   LEU  68           HG       LEU  68   0.038  -0.834  -2.207
  536   1HD1  LEU  68          HD11      LEU  68  -2.544  -1.841  -0.946
  537   2HD1  LEU  68          HD12      LEU  68  -1.523  -2.714  -2.101
  538   3HD1  LEU  68          HD13      LEU  68  -0.907  -2.345  -0.481
  539   1HD2  LEU  68          HD21      LEU  68  -1.364   0.725  -3.397
  540   2HD2  LEU  68          HD22      LEU  68  -1.968  -0.876  -3.716
  541   3HD2  LEU  68          HD23      LEU  68  -2.834   0.155  -2.566
  542    H    SER  69           H        SER  69  -2.471   2.690  -0.186
  543    HA   SER  69           HA       SER  69  -1.796   4.723   1.633
  544   1HB   SER  69          HB2       SER  69  -4.175   4.197   2.425
  545   2HB   SER  69          HB3       SER  69  -3.981   4.565   0.710
  546    HG   SER  69           HG       SER  69  -5.244   2.584   1.501
  547    H    ASN  70           H        ASN  70  -1.316   1.331   2.041
  548    HA   ASN  70           HA       ASN  70  -1.183   1.501   4.988
  549   1HB   ASN  70          HB2       ASN  70  -2.561  -0.474   5.248
  550   2HB   ASN  70          HB3       ASN  70  -3.498   0.718   4.361
  551   1HD2  ASN  70          HD22      ASN  70  -3.846   0.351   2.008
  552   2HD2  ASN  70          HD21      ASN  70  -3.682  -1.295   1.387
  553    H    SER  71           H        SER  71  -0.081  -0.418   5.896
  554    HA   SER  71           HA       SER  71   2.217  -1.253   4.373
  555   1HB   SER  71          HB2       SER  71   2.430  -2.738   6.505
  556   2HB   SER  71          HB3       SER  71   2.568  -0.980   6.670
  557    HG   SER  71           HG       SER  71   1.179  -1.866   8.251
  558    H    THR  72           H        THR  72  -0.529  -3.067   5.846
  559    HA   THR  72           HA       THR  72  -0.623  -4.981   3.615
  560    HB   THR  72           HB       THR  72  -0.132  -5.880   6.484
  561    HG1  THR  72           HG1      THR  72   1.973  -6.136   6.027
  562   1HG2  THR  72          HG21      THR  72   0.548  -8.022   5.369
  563   2HG2  THR  72          HG22      THR  72  -1.145  -7.618   5.088
  564   3HG2  THR  72          HG23      THR  72   0.055  -7.341   3.804
  565    H    GLN  73           H        GLN  73  -2.568  -6.275   3.674
  566    HA   GLN  73           HA       GLN  73  -4.485  -6.000   5.817
  567   1HB   GLN  73          HB2       GLN  73  -5.145  -5.169   2.942
  568   2HB   GLN  73          HB3       GLN  73  -6.351  -5.628   4.144
  569   1HG   GLN  73          HG2       GLN  73  -5.518  -3.785   5.640
  570   2HG   GLN  73          HG3       GLN  73  -4.470  -3.250   4.326
  571   1HE2  GLN  73          HE21      GLN  73  -5.525  -2.510   2.262
  572   2HE2  GLN  73          HE22      GLN  73  -7.130  -1.816   2.384
  Start of MODEL   19
    1   1H    THR   2          H1        THR   2   5.940  -2.689   0.913
    2   2H    THR   2          H2        THR   2   5.739  -4.281   0.542
    3   3H    THR   2          H3        THR   2   6.007  -3.181  -0.648
    4    HA   THR   2           HA       THR   2   3.665  -3.358   1.106
    5    HB   THR   2           HB       THR   2   4.098  -1.324  -1.103
    6    HG1  THR   2           HG1      THR   2   4.526   0.082   0.540
    7   1HG2  THR   2          HG21      THR   2   1.960  -1.623   1.065
    8   2HG2  THR   2          HG22      THR   2   2.151  -0.210   0.014
    9   3HG2  THR   2          HG23      THR   2   1.712  -1.772  -0.691
   10    H    VAL   3           H        VAL   3   4.032  -2.984  -2.544
   11    HA   VAL   3           HA       VAL   3   3.105  -5.792  -2.780
   12    HB   VAL   3           HB       VAL   3   2.085  -3.456  -4.425
   13   1HG1  VAL   3          HG11      VAL   3   0.590  -5.136  -5.475
   14   2HG1  VAL   3          HG12      VAL   3   2.288  -5.523  -5.755
   15   3HG1  VAL   3          HG13      VAL   3   1.379  -6.419  -4.520
   16   1HG2  VAL   3          HG21      VAL   3   0.613  -5.137  -2.361
   17   2HG2  VAL   3          HG22      VAL   3   0.906  -3.387  -2.312
   18   3HG2  VAL   3          HG23      VAL   3  -0.182  -4.059  -3.529
   19    H    SER   4           H        SER   4   4.543  -6.856  -4.025
   20    HA   SER   4           HA       SER   4   6.540  -5.359  -5.645
   21   1HB   SER   4          HB2       SER   4   7.099  -7.477  -3.533
   22   2HB   SER   4          HB3       SER   4   8.304  -6.584  -4.472
   23    HG   SER   4           HG       SER   4   7.983  -5.738  -2.339
   24    H    ILE   5           H        ILE   5   7.833  -6.745  -6.975
   25    HA   ILE   5           HA       ILE   5   6.379  -8.986  -8.189
   26    HB   ILE   5           HB       ILE   5   9.152  -7.841  -8.759
   27   1HG1  ILE   5          HG12      ILE   5   7.620  -6.024  -9.120
   28   2HG1  ILE   5          HG13      ILE   5   8.073  -6.670 -10.675
   29   1HG2  ILE   5          HG21      ILE   5   8.926 -10.039  -9.742
   30   2HG2  ILE   5          HG22      ILE   5   7.335  -9.645 -10.425
   31   3HG2  ILE   5          HG23      ILE   5   8.804  -8.860 -11.029
   32   1HD1  ILE   5          HD11      ILE   5   5.718  -6.149 -10.678
   33   2HD1  ILE   5          HD12      ILE   5   5.923  -7.893 -10.838
   34   3HD1  ILE   5          HD13      ILE   5   5.434  -7.186  -9.276
   35    H    GLN   6           H        GLN   6   7.418 -11.135  -8.302
   36    HA   GLN   6           HA       GLN   6   8.922 -11.811  -5.816
   37   1HB   GLN   6          HB2       GLN   6   7.309 -13.598  -5.410
   38   2HB   GLN   6          HB3       GLN   6   6.535 -12.021  -5.465
   39   1HG   GLN   6          HG2       GLN   6   5.959 -12.582  -7.951
   40   2HG   GLN   6          HG3       GLN   6   6.423 -14.236  -7.551
   41   1HE2  GLN   6          HE22      GLN   6   4.280 -11.512  -6.580
   42   2HE2  GLN   6          HE21      GLN   6   2.974 -12.515  -5.998
   43    H    MET   7           H        MET   7   9.540 -11.684  -8.871
   44    HA   MET   7           HA       MET   7  11.184 -14.065  -8.980
   45   1HB   MET   7          HB2       MET   7  10.291 -14.849 -11.117
   46   2HB   MET   7          HB3       MET   7   9.056 -14.962  -9.872
   47   1HG   MET   7          HG2       MET   7   9.248 -12.722 -11.916
   48   2HG   MET   7          HG3       MET   7   8.268 -14.163 -12.115
   49   1HE   MET   7          HE1       MET   7   6.110 -14.743 -10.610
   50   2HE   MET   7          HE2       MET   7   4.985 -13.365 -10.518
   51   3HE   MET   7          HE3       MET   7   5.766 -13.760 -12.059
   52    H    ALA   8           H        ALA   8  12.726 -13.834 -10.826
   53    HA   ALA   8           HA       ALA   8  13.300 -11.022 -11.492
   54   1HB   ALA   8          HB1       ALA   8  15.302 -11.944 -12.541
   55   2HB   ALA   8          HB2       ALA   8  15.129 -12.551 -10.876
   56   3HB   ALA   8          HB3       ALA   8  14.715 -13.599 -12.260
   57    H    GLY   9           H        GLY   9  12.954 -10.041 -13.482
   58   1HA   GLY   9          HA2       GLY   9  12.710 -11.395 -15.934
   59   2HA   GLY   9          HA3       GLY   9  11.079 -11.249 -15.284
   60    H    ASN  10           H        ASN  10  10.444  -9.836 -16.964
   61    HA   ASN  10           HA       ASN  10  11.293  -7.004 -16.581
   62   1HB   ASN  10          HB2       ASN  10  11.255  -8.557 -19.181
   63   2HB   ASN  10          HB3       ASN  10  10.684  -6.893 -19.167
   64   1HD2  ASN  10          HD22      ASN  10  13.406  -7.910 -17.025
   65   2HD2  ASN  10          HD21      ASN  10  14.615  -7.064 -17.968
   66    H    LEU  11           H        LEU  11   9.498  -5.701 -16.482
   67    HA   LEU  11           HA       LEU  11   7.075  -7.144 -15.875
   68   1HB   LEU  11          HB2       LEU  11   8.166  -5.138 -14.666
   69   2HB   LEU  11          HB3       LEU  11   7.501  -4.135 -15.950
   70    HG   LEU  11           HG       LEU  11   5.205  -4.912 -15.324
   71   1HD1  LEU  11          HD11      LEU  11   6.667  -6.361 -13.056
   72   2HD1  LEU  11          HD12      LEU  11   4.921  -6.049 -13.090
   73   3HD1  LEU  11          HD13      LEU  11   5.639  -7.111 -14.290
   74   1HD2  LEU  11          HD21      LEU  11   6.235  -2.866 -14.361
   75   2HD2  LEU  11          HD22      LEU  11   5.154  -3.641 -13.195
   76   3HD2  LEU  11          HD23      LEU  11   6.904  -3.835 -13.024
   77    H    TRP  12           H        TRP  12   5.535  -7.648 -17.364
   78    HA   TRP  12           HA       TRP  12   5.948  -6.957 -20.114
   79   1HB   TRP  12          HB2       TRP  12   5.019  -9.123 -19.113
   80   2HB   TRP  12          HB3       TRP  12   3.512  -8.267 -18.846
   81    HD1  TRP  12           HD1      TRP  12   5.876  -9.063 -21.758
   82    HE1  TRP  12           HE1      TRP  12   4.548  -9.651 -23.854
   83    HE3  TRP  12           HE3      TRP  12   1.166  -8.283 -19.938
   84    HZ2  TRP  12           HZ2      TRP  12   1.756  -9.827 -24.631
   85    HZ3  TRP  12           HZ3      TRP  12  -0.816  -8.735 -21.352
   86    HH2  TRP  12           HH2      TRP  12  -0.535  -9.502 -23.701
   87    H    LYS  13           H        LYS  13   3.261  -6.240 -17.807
   88    HA   LYS  13           HA       LYS  13   2.751  -3.641 -19.052
   89   1HB   LYS  13          HB2       LYS  13   0.693  -5.902 -18.990
   90   2HB   LYS  13          HB3       LYS  13   0.267  -4.197 -19.176
   91   1HG   LYS  13          HG2       LYS  13   1.707  -4.111 -21.245
   92   2HG   LYS  13          HG3       LYS  13   1.929  -5.864 -21.101
   93   1HD   LYS  13          HD2       LYS  13  -0.581  -6.128 -21.190
   94   2HD   LYS  13          HD3       LYS  13  -0.702  -4.383 -21.501
   95   1HE   LYS  13          HE2       LYS  13   0.768  -4.673 -23.511
   96   2HE   LYS  13          HE3       LYS  13   0.821  -6.414 -23.204
   97   1HZ   LYS  13          HZ1       LYS  13  -0.838  -5.859 -24.863
   98   2HZ   LYS  13          HZ2       LYS  13  -1.587  -6.474 -23.554
   99   3HZ   LYS  13          HZ3       LYS  13  -1.626  -4.865 -23.844
  100    H    VAL  14           H        VAL  14   1.184  -2.420 -17.655
  101    HA   VAL  14           HA       VAL  14   0.834  -3.448 -14.911
  102    HB   VAL  14           HB       VAL  14   2.043  -0.721 -15.590
  103   1HG1  VAL  14          HG11      VAL  14   0.663  -0.567 -13.576
  104   2HG1  VAL  14          HG12      VAL  14   1.411  -2.040 -12.902
  105   3HG1  VAL  14          HG13      VAL  14   2.361  -0.556 -13.110
  106   1HG2  VAL  14          HG21      VAL  14   3.773  -2.406 -15.869
  107   2HG2  VAL  14          HG22      VAL  14   4.042  -1.601 -14.325
  108   3HG2  VAL  14          HG23      VAL  14   3.276  -3.212 -14.364
  109    H    HIS  15           H        HIS  15  -1.077  -2.619 -13.993
  110    HA   HIS  15           HA       HIS  15  -2.876  -1.247 -15.950
  111   1HB   HIS  15          HB2       HIS  15  -3.763  -3.242 -13.875
  112   2HB   HIS  15          HB3       HIS  15  -4.570  -2.762 -15.363
  113    HD1  HIS  15           HD1      HIS  15  -2.318  -3.460 -17.510
  114    HD2  HIS  15           HD2      HIS  15  -3.187  -5.722 -14.072
  115    HE1  HIS  15           HE1      HIS  15  -1.283  -5.770 -17.875
  116    H    VAL  16           H        VAL  16  -1.630  -1.139 -12.682
  117    HA   VAL  16           HA       VAL  16  -3.797   0.489 -11.608
  118    HB   VAL  16           HB       VAL  16  -2.157   0.899  -9.759
  119   1HG1  VAL  16          HG11      VAL  16  -2.298  -1.380  -8.843
  120   2HG1  VAL  16          HG12      VAL  16  -3.811  -0.871  -9.601
  121   3HG1  VAL  16          HG13      VAL  16  -2.740  -1.997 -10.455
  122   1HG2  VAL  16          HG21      VAL  16  -0.099  -0.149  -9.571
  123   2HG2  VAL  16          HG22      VAL  16  -0.381  -1.253 -10.941
  124   3HG2  VAL  16          HG23      VAL  16  -0.070   0.477 -11.212
  125    H    LYS  17           H        LYS  17  -3.357   2.622 -10.694
  126    HA   LYS  17           HA       LYS  17  -1.268   4.258 -11.815
  127   1HB   LYS  17          HB2       LYS  17  -2.771   6.069 -12.525
  128   2HB   LYS  17          HB3       LYS  17  -2.990   4.640 -13.530
  129   1HG   LYS  17          HG2       LYS  17  -5.053   4.051 -12.353
  130   2HG   LYS  17          HG3       LYS  17  -4.850   5.381 -11.215
  131   1HD   LYS  17          HD2       LYS  17  -5.247   5.668 -14.219
  132   2HD   LYS  17          HD3       LYS  17  -6.518   5.838 -13.015
  133   1HE   LYS  17          HE2       LYS  17  -4.047   7.627 -13.227
  134   2HE   LYS  17          HE3       LYS  17  -5.645   8.009 -13.861
  135   1HZ   LYS  17          HZ1       LYS  17  -5.337   9.056 -11.748
  136   2HZ   LYS  17          HZ2       LYS  17  -6.498   7.928 -11.579
  137   3HZ   LYS  17          HZ3       LYS  17  -4.988   7.660 -10.984
  138    H    ALA  18           H        ALA  18  -1.174   6.286 -10.435
  139    HA   ALA  18           HA       ALA  18  -1.765   5.876  -7.682
  140   1HB   ALA  18          HB1       ALA  18  -1.326   8.297  -7.451
  141   2HB   ALA  18          HB2       ALA  18  -0.095   7.521  -8.465
  142   3HB   ALA  18          HB3       ALA  18  -1.389   8.491  -9.215
  143    H    GLY  19           H        GLY  19  -3.547   6.347  -6.454
  144   1HA   GLY  19          HA2       GLY  19  -5.622   7.179  -5.890
  145   2HA   GLY  19          HA3       GLY  19  -5.832   7.843  -7.516
  146    H    ASP  20           H        ASP  20  -4.922   4.708  -8.190
  147    HA   ASP  20           HA       ASP  20  -7.647   3.818  -8.656
  148   1HB   ASP  20          HB2       ASP  20  -5.653   3.252 -10.097
  149   2HB   ASP  20          HB3       ASP  20  -5.066   2.212  -8.790
  150    H    GLN  21           H        GLN  21  -8.365   1.637  -7.824
  151    HA   GLN  21           HA       GLN  21  -7.677   1.228  -4.936
  152   1HB   GLN  21          HB2       GLN  21 -10.007   1.983  -5.249
  153   2HB   GLN  21          HB3       GLN  21 -10.252   0.775  -6.505
  154   1HG   GLN  21          HG2       GLN  21 -11.354  -0.052  -4.604
  155   2HG   GLN  21          HG3       GLN  21  -9.923  -1.040  -4.769
  156   1HE2  GLN  21          HE22      GLN  21  -8.760  -1.361  -2.813
  157   2HE2  GLN  21          HE21      GLN  21  -8.945  -0.319  -1.422
  158    H    ILE  22           H        ILE  22  -6.915  -0.788  -4.441
  159    HA   ILE  22           HA       ILE  22  -7.395  -2.979  -6.371
  160    HB   ILE  22           HB       ILE  22  -5.227  -3.861  -6.184
  161   1HG1  ILE  22          HG12      ILE  22  -4.599  -1.727  -4.104
  162   2HG1  ILE  22          HG13      ILE  22  -4.728  -3.470  -3.846
  163   1HG2  ILE  22          HG21      ILE  22  -4.845  -0.873  -6.616
  164   2HG2  ILE  22          HG22      ILE  22  -3.871  -2.184  -7.288
  165   3HG2  ILE  22          HG23      ILE  22  -5.540  -1.987  -7.810
  166   1HD1  ILE  22          HD11      ILE  22  -2.578  -1.972  -5.358
  167   2HD1  ILE  22          HD12      ILE  22  -2.414  -3.011  -3.923
  168   3HD1  ILE  22          HD13      ILE  22  -2.776  -3.729  -5.498
  169    H    GLU  23           H        GLU  23  -7.242  -5.122  -5.331
  170    HA   GLU  23           HA       GLU  23  -7.925  -5.158  -2.471
  171   1HB   GLU  23          HB2       GLU  23 -10.035  -4.957  -3.713
  172   2HB   GLU  23          HB3       GLU  23  -9.586  -6.340  -4.734
  173   1HG   GLU  23          HG2       GLU  23  -9.604  -7.812  -2.737
  174   2HG   GLU  23          HG3       GLU  23  -9.962  -6.427  -1.704
  175    H    LYS  24           H        LYS  24  -7.078  -7.107  -1.544
  176    HA   LYS  24           HA       LYS  24  -4.910  -8.341  -2.699
  177   1HB   LYS  24          HB2       LYS  24  -5.568  -8.477  -0.328
  178   2HB   LYS  24          HB3       LYS  24  -6.877  -9.593  -0.733
  179   1HG   LYS  24          HG2       LYS  24  -5.316 -11.305  -1.440
  180   2HG   LYS  24          HG3       LYS  24  -3.960 -10.164  -1.384
  181   1HD   LYS  24          HD2       LYS  24  -4.225  -9.953   1.076
  182   2HD   LYS  24          HD3       LYS  24  -5.619 -11.032   1.028
  183   1HE   LYS  24          HE2       LYS  24  -3.628 -12.193   1.825
  184   2HE   LYS  24          HE3       LYS  24  -4.217 -12.911   0.324
  185   1HZ   LYS  24          HZ1       LYS  24  -1.743 -12.515   0.520
  186   2HZ   LYS  24          HZ2       LYS  24  -2.431 -11.961  -0.850
  187   3HZ   LYS  24          HZ3       LYS  24  -2.041 -10.905   0.335
  188    H    GLY  25           H        GLY  25  -4.595  -9.628  -4.434
  189   1HA   GLY  25          HA2       GLY  25  -4.931 -11.575  -5.697
  190   2HA   GLY  25          HA3       GLY  25  -6.619 -11.651  -5.195
  191    H    GLN  26           H        GLN  26  -6.455  -8.462  -6.003
  192    HA   GLN  26           HA       GLN  26  -7.601  -8.730  -8.619
  193   1HB   GLN  26          HB2       GLN  26  -7.921  -6.846  -6.936
  194   2HB   GLN  26          HB3       GLN  26  -6.274  -6.295  -7.335
  195   1HG   GLN  26          HG2       GLN  26  -6.985  -5.902  -9.666
  196   2HG   GLN  26          HG3       GLN  26  -8.595  -6.536  -9.310
  197   1HE2  GLN  26          HE22      GLN  26  -6.820  -3.664  -9.562
  198   2HE2  GLN  26          HE21      GLN  26  -7.817  -2.629  -8.550
  199    H    GLU  27           H        GLU  27  -6.542  -8.652 -10.635
  200    HA   GLU  27           HA       GLU  27  -3.647  -8.944 -10.761
  201   1HB   GLU  27          HB2       GLU  27  -5.255  -9.991 -12.362
  202   2HB   GLU  27          HB3       GLU  27  -5.708  -8.383 -12.941
  203   1HG   GLU  27          HG2       GLU  27  -3.341  -8.020 -13.677
  204   2HG   GLU  27          HG3       GLU  27  -2.926  -9.632 -13.091
  205    H    VAL  28           H        VAL  28  -2.156  -7.329 -11.027
  206    HA   VAL  28           HA       VAL  28  -3.096  -4.540 -11.513
  207    HB   VAL  28           HB       VAL  28  -1.429  -3.819  -9.772
  208   1HG1  VAL  28          HG11      VAL  28  -3.723  -5.531  -8.712
  209   2HG1  VAL  28          HG12      VAL  28  -2.896  -4.215  -7.863
  210   3HG1  VAL  28          HG13      VAL  28  -3.873  -3.869  -9.305
  211   1HG2  VAL  28          HG21      VAL  28  -1.557  -6.707  -8.856
  212   2HG2  VAL  28          HG22      VAL  28  -0.117  -5.927  -9.558
  213   3HG2  VAL  28          HG23      VAL  28  -0.775  -5.368  -8.006
  214    H    ALA  29           H        ALA  29  -0.657  -7.036 -12.109
  215    HA   ALA  29           HA       ALA  29   0.213  -5.479 -14.388
  216   1HB   ALA  29          HB1       ALA  29   1.761  -4.551 -12.704
  217   2HB   ALA  29          HB2       ALA  29   2.219  -6.175 -12.174
  218   3HB   ALA  29          HB3       ALA  29   2.651  -5.614 -13.797
  219    H    ILE  30           H        ILE  30   2.090  -6.880 -15.448
  220    HA   ILE  30           HA       ILE  30   1.724  -9.782 -15.026
  221    HB   ILE  30           HB       ILE  30   1.394  -8.310 -17.677
  222   1HG1  ILE  30          HG12      ILE  30  -0.468 -10.293 -16.287
  223   2HG1  ILE  30          HG13      ILE  30  -0.668  -8.546 -16.267
  224   1HG2  ILE  30          HG21      ILE  30   2.863 -10.303 -18.027
  225   2HG2  ILE  30          HG22      ILE  30   1.645 -11.325 -17.234
  226   3HG2  ILE  30          HG23      ILE  30   1.310 -10.531 -18.786
  227   1HD1  ILE  30          HD11      ILE  30  -2.177  -9.437 -17.876
  228   2HD1  ILE  30          HD12      ILE  30  -0.926  -8.521 -18.731
  229   3HD1  ILE  30          HD13      ILE  30  -0.894 -10.306 -18.723
  230    H    LEU  31           H        LEU  31   3.662 -10.861 -15.499
  231    HA   LEU  31           HA       LEU  31   6.107  -9.194 -15.947
  232   1HB   LEU  31          HB2       LEU  31   5.925  -9.765 -13.663
  233   2HB   LEU  31          HB3       LEU  31   5.411 -11.423 -13.991
  234    HG   LEU  31           HG       LEU  31   7.646 -11.053 -12.984
  235   1HD1  LEU  31          HD11      LEU  31   7.725 -12.628 -15.582
  236   2HD1  LEU  31          HD12      LEU  31   8.795 -12.803 -14.186
  237   3HD1  LEU  31          HD13      LEU  31   7.073 -13.186 -14.035
  238   1HD2  LEU  31          HD21      LEU  31   9.480 -10.248 -14.097
  239   2HD2  LEU  31          HD22      LEU  31   8.716 -10.340 -15.695
  240   3HD2  LEU  31          HD23      LEU  31   8.206  -9.097 -14.538
  241    H    GLU  32           H        GLU  32   7.516 -10.003 -17.489
  242    HA   GLU  32           HA       GLU  32   6.803 -12.550 -18.852
  243   1HB   GLU  32          HB2       GLU  32   6.756 -10.518 -20.261
  244   2HB   GLU  32          HB3       GLU  32   8.422 -10.147 -19.801
  245   1HG   GLU  32          HG2       GLU  32   9.111 -12.373 -20.802
  246   2HG   GLU  32          HG3       GLU  32   7.450 -12.589 -21.350
  247    H    SER  33           H        SER  33   8.169 -14.210 -18.441
  248    HA   SER  33           HA       SER  33  10.986 -13.974 -18.252
  249   1HB   SER  33          HB2       SER  33  10.271 -13.141 -15.917
  250   2HB   SER  33          HB3       SER  33   9.669 -14.775 -15.616
  251    HG   SER  33           HG       SER  33  11.905 -14.131 -14.992
  252    H    MET  34           H        MET  34  11.870 -16.261 -17.694
  253    HA   MET  34           HA       MET  34  11.932 -18.473 -18.243
  254   1HB   MET  34          HB2       MET  34   9.179 -18.449 -16.945
  255   2HB   MET  34          HB3       MET  34  10.221 -19.855 -17.126
  256   1HG   MET  34          HG2       MET  34  11.844 -19.009 -15.608
  257   2HG   MET  34          HG3       MET  34  11.130 -17.401 -15.576
  258   1HE   MET  34          HE1       MET  34   8.060 -17.632 -13.307
  259   2HE   MET  34          HE2       MET  34   9.257 -16.574 -14.080
  260   3HE   MET  34          HE3       MET  34   8.144 -17.539 -15.076
  261    H    LYS  35           H        LYS  35  11.035 -16.782 -20.380
  262    HA   LYS  35           HA       LYS  35   9.992 -16.678 -22.370
  263   1HB   LYS  35          HB2       LYS  35  10.154 -19.714 -22.330
  264   2HB   LYS  35          HB3       LYS  35   9.979 -18.694 -23.751
  265   1HG   LYS  35          HG2       LYS  35  12.420 -18.798 -21.930
  266   2HG   LYS  35          HG3       LYS  35  12.254 -19.540 -23.520
  267   1HD   LYS  35          HD2       LYS  35  11.949 -17.274 -24.536
  268   2HD   LYS  35          HD3       LYS  35  12.225 -16.544 -22.937
  269   1HE   LYS  35          HE2       LYS  35  14.457 -17.622 -22.825
  270   2HE   LYS  35          HE3       LYS  35  14.188 -18.354 -24.413
  271   1HZ   LYS  35          HZ1       LYS  35  15.507 -16.346 -24.581
  272   2HZ   LYS  35          HZ2       LYS  35  14.094 -16.118 -25.355
  273   3HZ   LYS  35          HZ3       LYS  35  14.345 -15.441 -23.887
  274    H    MET  36           H        MET  36   8.231 -16.599 -20.095
  275    HA   MET  36           HA       MET  36   5.659 -17.316 -21.359
  276   1HB   MET  36          HB2       MET  36   6.663 -18.083 -18.575
  277   2HB   MET  36          HB3       MET  36   4.952 -18.015 -18.961
  278   1HG   MET  36          HG2       MET  36   6.976 -19.799 -20.348
  279   2HG   MET  36          HG3       MET  36   5.873 -20.300 -19.077
  280   1HE   MET  36          HE1       MET  36   3.325 -20.693 -19.325
  281   2HE   MET  36          HE2       MET  36   3.043 -19.002 -19.801
  282   3HE   MET  36          HE3       MET  36   2.377 -20.322 -20.780
  283    H    GLU  37           H        GLU  37   3.888 -16.259 -19.911
  284    HA   GLU  37           HA       GLU  37   4.815 -13.713 -18.715
  285   1HB   GLU  37          HB2       GLU  37   2.239 -14.098 -20.294
  286   2HB   GLU  37          HB3       GLU  37   2.709 -12.678 -19.372
  287   1HG   GLU  37          HG2       GLU  37   3.216 -12.045 -21.534
  288   2HG   GLU  37          HG3       GLU  37   4.780 -12.513 -20.884
  289    H    ILE  38           H        ILE  38   3.855 -13.295 -16.737
  290    HA   ILE  38           HA       ILE  38   2.161 -15.415 -15.529
  291    HB   ILE  38           HB       ILE  38   4.694 -14.164 -14.352
  292   1HG1  ILE  38          HG12      ILE  38   5.305 -16.799 -14.395
  293   2HG1  ILE  38          HG13      ILE  38   4.264 -16.776 -15.805
  294   1HG2  ILE  38          HG21      ILE  38   4.399 -15.818 -12.537
  295   2HG2  ILE  38          HG22      ILE  38   3.029 -14.721 -12.627
  296   3HG2  ILE  38          HG23      ILE  38   2.887 -16.373 -13.277
  297   1HD1  ILE  38          HD11      ILE  38   6.571 -16.500 -16.490
  298   2HD1  ILE  38          HD12      ILE  38   5.801 -14.932 -16.746
  299   3HD1  ILE  38          HD13      ILE  38   6.827 -15.188 -15.329
  300    HA   PRO  39           HA       PRO  39   0.137 -11.554 -14.400
  301   1HB   PRO  39          HB2       PRO  39  -1.737 -12.440 -12.607
  302   2HB   PRO  39          HB3       PRO  39  -1.857 -12.723 -14.372
  303   1HG   PRO  39          HG2       PRO  39  -0.801 -14.619 -12.255
  304   2HG   PRO  39          HG3       PRO  39  -1.976 -14.964 -13.567
  305   1HD   PRO  39          HD2       PRO  39   0.676 -15.556 -13.799
  306   2HD   PRO  39          HD3       PRO  39  -0.275 -14.989 -15.205
  307    H    ILE  40           H        ILE  40   0.175 -10.053 -12.704
  308    HA   ILE  40           HA       ILE  40   1.512 -10.826 -10.152
  309    HB   ILE  40           HB       ILE  40   1.786  -8.304 -11.802
  310   1HG1  ILE  40          HG12      ILE  40   3.176 -10.091 -12.711
  311   2HG1  ILE  40          HG13      ILE  40   4.106  -8.750 -12.084
  312   1HG2  ILE  40          HG21      ILE  40   2.970  -8.872  -9.062
  313   2HG2  ILE  40          HG22      ILE  40   3.314  -7.459 -10.091
  314   3HG2  ILE  40          HG23      ILE  40   1.702  -7.695  -9.444
  315   1HD1  ILE  40          HD11      ILE  40   3.678 -11.398 -10.629
  316   2HD1  ILE  40          HD12      ILE  40   5.122 -10.922 -11.536
  317   3HD1  ILE  40          HD13      ILE  40   4.692 -10.049 -10.061
  318    H    VAL  41           H        VAL  41   0.182 -10.530  -8.522
  319    HA   VAL  41           HA       VAL  41  -2.289  -8.947  -8.914
  320    HB   VAL  41           HB       VAL  41  -3.244 -10.541  -7.188
  321   1HG1  VAL  41          HG11      VAL  41  -2.427 -11.684  -9.889
  322   2HG1  VAL  41          HG12      VAL  41  -3.688 -12.342  -8.817
  323   3HG1  VAL  41          HG13      VAL  41  -3.886 -10.736  -9.502
  324   1HG2  VAL  41          HG21      VAL  41  -0.881 -12.316  -7.932
  325   2HG2  VAL  41          HG22      VAL  41  -1.077 -11.491  -6.364
  326   3HG2  VAL  41          HG23      VAL  41  -2.245 -12.718  -6.876
  327    H    ALA  42           H        ALA  42  -3.199  -7.983  -7.044
  328    HA   ALA  42           HA       ALA  42  -1.406  -6.459  -5.447
  329   1HB   ALA  42          HB1       ALA  42  -3.718  -5.772  -6.055
  330   2HB   ALA  42          HB2       ALA  42  -4.357  -7.116  -5.100
  331   3HB   ALA  42          HB3       ALA  42  -3.502  -5.794  -4.286
  332    H    ASP  43           H        ASP  43  -0.205  -7.246  -3.794
  333    HA   ASP  43           HA       ASP  43  -0.677  -9.741  -2.468
  334   1HB   ASP  43          HB2       ASP  43   1.551  -8.761  -2.613
  335   2HB   ASP  43          HB3       ASP  43   1.023  -7.328  -1.730
  336    H    ARG  44           H        ARG  44  -1.901  -6.491  -1.931
  337    HA   ARG  44           HA       ARG  44  -3.656  -7.368   0.201
  338   1HB   ARG  44          HB2       ARG  44  -2.896  -5.699   1.826
  339   2HB   ARG  44          HB3       ARG  44  -1.638  -6.886   1.487
  340   1HG   ARG  44          HG2       ARG  44  -0.738  -5.086  -0.242
  341   2HG   ARG  44          HG3       ARG  44  -1.801  -3.979   0.629
  342   1HD   ARG  44          HD2       ARG  44   0.453  -3.814   1.474
  343   2HD   ARG  44          HD3       ARG  44  -0.581  -4.519   2.734
  344    HE   ARG  44           HE       ARG  44   0.655  -6.594   1.153
  345   1HH1  ARG  44          HH21      ARG  44   1.472  -4.280   3.737
  346   2HH1  ARG  44          HH22      ARG  44   2.898  -5.166   4.214
  347   1HH2  ARG  44          HH11      ARG  44   2.336  -7.744   1.829
  348   2HH2  ARG  44          HH12      ARG  44   3.387  -7.237   3.146
  349    H    SER  45           H        SER  45  -5.323  -5.732   0.583
  350    HA   SER  45           HA       SER  45  -6.016  -4.249  -1.771
  351   1HB   SER  45          HB2       SER  45  -7.268  -4.158   1.008
  352   2HB   SER  45          HB3       SER  45  -8.064  -3.836  -0.541
  353    HG   SER  45           HG       SER  45  -8.417  -5.980   0.405
  354    H    GLY  46           H        GLY  46  -6.430  -1.916  -1.889
  355   1HA   GLY  46          HA2       GLY  46  -6.360  -0.065   0.086
  356   2HA   GLY  46          HA3       GLY  46  -4.643  -0.225  -0.301
  357    H    ILE  47           H        ILE  47  -5.485   2.200  -0.683
  358    HA   ILE  47           HA       ILE  47  -6.180   2.597  -3.534
  359    HB   ILE  47           HB       ILE  47  -5.628   4.513  -1.231
  360   1HG1  ILE  47          HG12      ILE  47  -7.857   3.435  -1.154
  361   2HG1  ILE  47          HG13      ILE  47  -7.932   5.174  -1.376
  362   1HG2  ILE  47          HG21      ILE  47  -6.165   5.181  -4.150
  363   2HG2  ILE  47          HG22      ILE  47  -6.321   6.345  -2.814
  364   3HG2  ILE  47          HG23      ILE  47  -4.753   5.624  -3.171
  365   1HD1  ILE  47          HD11      ILE  47  -8.338   3.113  -3.588
  366   2HD1  ILE  47          HD12      ILE  47  -9.604   4.029  -2.753
  367   3HD1  ILE  47          HD13      ILE  47  -8.448   4.877  -3.784
  368    H    VAL  48           H        VAL  48  -4.606   2.962  -5.019
  369    HA   VAL  48           HA       VAL  48  -1.817   2.435  -4.433
  370    HB   VAL  48           HB       VAL  48  -3.129   3.510  -6.924
  371   1HG1  VAL  48          HG11      VAL  48  -1.146   2.559  -8.056
  372   2HG1  VAL  48          HG12      VAL  48  -0.643   3.784  -6.889
  373   3HG1  VAL  48          HG13      VAL  48  -0.460   2.059  -6.495
  374   1HG2  VAL  48          HG21      VAL  48  -3.047   1.145  -7.702
  375   2HG2  VAL  48          HG22      VAL  48  -2.542   0.636  -6.072
  376   3HG2  VAL  48          HG23      VAL  48  -4.142   1.354  -6.346
  377    H    LYS  49           H        LYS  49  -0.575   3.853  -3.378
  378    HA   LYS  49           HA       LYS  49  -1.109   6.748  -3.442
  379   1HB   LYS  49          HB2       LYS  49  -0.246   5.642  -1.390
  380   2HB   LYS  49          HB3       LYS  49   1.227   5.170  -2.252
  381   1HG   LYS  49          HG2       LYS  49   1.761   7.556  -2.649
  382   2HG   LYS  49          HG3       LYS  49   0.272   8.043  -1.841
  383   1HD   LYS  49          HD2       LYS  49   2.643   6.590  -0.587
  384   2HD   LYS  49          HD3       LYS  49   2.269   8.296  -0.405
  385   1HE   LYS  49          HE2       LYS  49   0.659   5.943   0.678
  386   2HE   LYS  49          HE3       LYS  49   1.636   7.090   1.595
  387   1HZ   LYS  49          HZ1       LYS  49   0.052   8.845   0.737
  388   2HZ   LYS  49          HZ2       LYS  49  -0.940   7.617   0.245
  389   3HZ   LYS  49          HZ3       LYS  49  -0.566   7.803   1.820
  390    H    GLU  50           H        GLU  50   1.302   4.331  -4.707
  391    HA   GLU  50           HA       GLU  50   1.863   6.110  -6.967
  392   1HB   GLU  50          HB2       GLU  50   3.285   6.948  -5.018
  393   2HB   GLU  50          HB3       GLU  50   4.112   5.389  -5.022
  394   1HG   GLU  50          HG2       GLU  50   4.977   5.799  -7.260
  395   2HG   GLU  50          HG3       GLU  50   3.943   7.219  -7.457
  396    H    VAL  51           H        VAL  51   3.286   4.991  -8.559
  397    HA   VAL  51           HA       VAL  51   3.358   2.031  -8.227
  398    HB   VAL  51           HB       VAL  51   2.963   3.541 -10.844
  399   1HG1  VAL  51          HG11      VAL  51   2.588   0.594 -10.110
  400   2HG1  VAL  51          HG12      VAL  51   2.315   1.329 -11.705
  401   3HG1  VAL  51          HG13      VAL  51   3.947   1.262 -11.037
  402   1HG2  VAL  51          HG21      VAL  51   0.851   2.168  -9.133
  403   2HG2  VAL  51          HG22      VAL  51   0.924   3.906  -9.510
  404   3HG2  VAL  51          HG23      VAL  51   0.607   2.749 -10.799
  405    H    LYS  52           H        LYS  52   5.361   1.166  -8.547
  406    HA   LYS  52           HA       LYS  52   7.570   3.149  -8.685
  407   1HB   LYS  52          HB2       LYS  52   7.505   0.276  -7.680
  408   2HB   LYS  52          HB3       LYS  52   8.849   1.403  -7.500
  409   1HG   LYS  52          HG2       LYS  52   6.110   1.619  -6.175
  410   2HG   LYS  52          HG3       LYS  52   7.627   1.146  -5.420
  411   1HD   LYS  52          HD2       LYS  52   8.564   3.404  -5.832
  412   2HD   LYS  52          HD3       LYS  52   7.007   3.912  -6.543
  413   1HE   LYS  52          HE2       LYS  52   5.838   3.459  -4.475
  414   2HE   LYS  52          HE3       LYS  52   7.291   2.772  -3.734
  415   1HZ   LYS  52          HZ1       LYS  52   7.043   5.606  -4.584
  416   2HZ   LYS  52          HZ2       LYS  52   6.795   5.059  -3.055
  417   3HZ   LYS  52          HZ3       LYS  52   8.289   4.940  -3.741
  418    H    LYS  53           H        LYS  53   6.107   1.015 -10.833
  419    HA   LYS  53           HA       LYS  53   8.576   0.679 -12.438
  420   1HB   LYS  53          HB2       LYS  53   6.605  -1.534 -11.685
  421   2HB   LYS  53          HB3       LYS  53   7.849  -1.683 -12.925
  422   1HG   LYS  53          HG2       LYS  53   8.458  -1.172  -9.991
  423   2HG   LYS  53          HG3       LYS  53   8.426  -2.759 -10.755
  424   1HD   LYS  53          HD2       LYS  53  10.198  -2.061 -12.335
  425   2HD   LYS  53          HD3       LYS  53  10.279  -0.466 -11.560
  426   1HE   LYS  53          HE2       LYS  53  11.005  -1.446  -9.453
  427   2HE   LYS  53          HE3       LYS  53  10.722  -3.074 -10.045
  428   1HZ   LYS  53          HZ1       LYS  53  12.832  -1.226 -10.971
  429   2HZ   LYS  53          HZ2       LYS  53  12.974  -2.703 -10.229
  430   3HZ   LYS  53          HZ3       LYS  53  12.448  -2.624 -11.768
  431    H    LYS  54           H        LYS  54   7.806  -0.323 -14.663
  432    HA   LYS  54           HA       LYS  54   5.252   0.791 -15.577
  433   1HB   LYS  54          HB2       LYS  54   6.288   2.275 -17.202
  434   2HB   LYS  54          HB3       LYS  54   6.811   2.714 -15.583
  435   1HG   LYS  54          HG2       LYS  54   8.933   1.256 -16.100
  436   2HG   LYS  54          HG3       LYS  54   8.388   1.318 -17.773
  437   1HD   LYS  54          HD2       LYS  54   9.942   3.083 -17.594
  438   2HD   LYS  54          HD3       LYS  54   8.372   3.879 -17.499
  439   1HE   LYS  54          HE2       LYS  54   9.689   4.881 -15.801
  440   2HE   LYS  54          HE3       LYS  54   8.596   3.794 -14.947
  441   1HZ   LYS  54          HZ1       LYS  54  10.860   3.623 -14.127
  442   2HZ   LYS  54          HZ2       LYS  54  10.470   2.184 -14.789
  443   3HZ   LYS  54          HZ3       LYS  54  11.438   3.233 -15.594
  444    H    GLU  55           H        GLU  55   5.061   0.314 -18.017
  445    HA   GLU  55           HA       GLU  55   5.542  -2.443 -18.507
  446   1HB   GLU  55          HB2       GLU  55   5.085  -0.304 -20.636
  447   2HB   GLU  55          HB3       GLU  55   4.750  -2.027 -20.730
  448   1HG   GLU  55          HG2       GLU  55   2.631  -1.348 -20.312
  449   2HG   GLU  55          HG3       GLU  55   3.147  -1.464 -18.635
  450    H    GLY  56           H        GLY  56   7.322  -3.496 -19.216
  451   1HA   GLY  56          HA2       GLY  56   9.195  -3.934 -20.457
  452   2HA   GLY  56          HA3       GLY  56   9.327  -2.234 -20.929
  453    H    ASP  57           H        ASP  57   8.945  -2.300 -17.537
  454    HA   ASP  57           HA       ASP  57  11.699  -1.508 -17.151
  455   1HB   ASP  57          HB2       ASP  57   9.481  -0.843 -15.888
  456   2HB   ASP  57          HB3       ASP  57   9.860  -2.215 -14.859
  457    H    PHE  58           H        PHE  58  13.194  -2.571 -15.624
  458    HA   PHE  58           HA       PHE  58  13.204  -5.534 -15.832
  459   1HB   PHE  58          HB2       PHE  58  15.331  -4.374 -16.171
  460   2HB   PHE  58          HB3       PHE  58  15.121  -3.490 -14.667
  461    HD1  PHE  58           HD1      PHE  58  15.928  -6.807 -16.135
  462    HD2  PHE  58           HD2      PHE  58  15.619  -4.503 -12.500
  463    HE1  PHE  58           HE1      PHE  58  17.160  -8.573 -14.908
  464    HE2  PHE  58           HE2      PHE  58  16.860  -6.269 -11.279
  465    HZ   PHE  58           HZ       PHE  58  17.649  -8.299 -12.486
  466    H    VAL  59           H        VAL  59  12.881  -6.856 -13.974
  467    HA   VAL  59           HA       VAL  59  12.326  -5.552 -11.403
  468    HB   VAL  59           HB       VAL  59  10.220  -6.964 -11.226
  469   1HG1  VAL  59          HG11      VAL  59   8.777  -5.200 -12.167
  470   2HG1  VAL  59          HG12      VAL  59  10.168  -4.539 -11.303
  471   3HG1  VAL  59          HG13      VAL  59  10.136  -4.555 -13.089
  472   1HG2  VAL  59          HG21      VAL  59  10.475  -8.291 -13.304
  473   2HG2  VAL  59          HG22      VAL  59   8.931  -7.412 -13.234
  474   3HG2  VAL  59          HG23      VAL  59  10.239  -6.814 -14.268
  475    H    ASN  60           H        ASN  60  12.071  -7.144  -9.651
  476    HA   ASN  60           HA       ASN  60  13.432  -9.673 -10.149
  477   1HB   ASN  60          HB2       ASN  60  14.984  -7.446  -9.557
  478   2HB   ASN  60          HB3       ASN  60  14.693  -8.134  -7.959
  479   1HD2  ASN  60          HD22      ASN  60  15.538  -9.095 -11.330
  480   2HD2  ASN  60          HD21      ASN  60  16.680 -10.344 -10.873
  481    H    GLU  61           H        GLU  61  13.719 -10.911  -8.089
  482    HA   GLU  61           HA       GLU  61  11.201 -11.178  -6.763
  483   1HB   GLU  61          HB2       GLU  61  12.713 -13.044  -7.173
  484   2HB   GLU  61          HB3       GLU  61  13.986 -12.294  -6.219
  485   1HG   GLU  61          HG2       GLU  61  12.473 -12.455  -4.193
  486   2HG   GLU  61          HG3       GLU  61  11.271 -13.259  -5.200
  487    H    GLY  62           H        GLY  62  10.420  -9.670  -5.407
  488   1HA   GLY  62          HA2       GLY  62  10.300  -8.635  -3.337
  489   2HA   GLY  62          HA3       GLY  62  12.059  -8.686  -3.160
  490    H    ASP  63           H        ASP  63  11.328  -7.563  -6.341
  491    HA   ASP  63           HA       ASP  63  12.179  -4.872  -5.619
  492   1HB   ASP  63          HB2       ASP  63  12.856  -6.235  -7.692
  493   2HB   ASP  63          HB3       ASP  63  11.249  -5.897  -8.329
  494    H    VAL  64           H        VAL  64  10.770  -3.163  -5.285
  495    HA   VAL  64           HA       VAL  64   8.048  -3.775  -4.791
  496    HB   VAL  64           HB       VAL  64   9.233  -0.985  -5.046
  497   1HG1  VAL  64          HG11      VAL  64   6.924  -2.114  -3.383
  498   2HG1  VAL  64          HG12      VAL  64   7.532  -0.448  -3.295
  499   3HG1  VAL  64          HG13      VAL  64   6.770  -1.025  -4.774
  500   1HG2  VAL  64          HG21      VAL  64   9.305  -2.890  -2.661
  501   2HG2  VAL  64          HG22      VAL  64  10.708  -2.224  -3.528
  502   3HG2  VAL  64          HG23      VAL  64   9.679  -1.155  -2.583
  503    H    LEU  65           H        LEU  65   6.162  -3.180  -5.837
  504    HA   LEU  65           HA       LEU  65   6.382  -2.557  -8.752
  505   1HB   LEU  65          HB2       LEU  65   5.646  -4.822  -8.257
  506   2HB   LEU  65          HB3       LEU  65   4.412  -4.261  -7.154
  507    HG   LEU  65           HG       LEU  65   3.693  -5.076  -9.384
  508   1HD1  LEU  65          HD11      LEU  65   1.854  -3.611  -9.687
  509   2HD1  LEU  65          HD12      LEU  65   2.190  -3.746  -7.957
  510   3HD1  LEU  65          HD13      LEU  65   2.675  -2.285  -8.861
  511   1HD2  LEU  65          HD21      LEU  65   5.438  -3.883 -10.754
  512   2HD2  LEU  65          HD22      LEU  65   3.774  -3.681 -11.342
  513   3HD2  LEU  65          HD23      LEU  65   4.566  -2.366 -10.461
  514    H    LEU  66           H        LEU  66   4.302  -2.192  -5.803
  515    HA   LEU  66           HA       LEU  66   3.988   0.636  -6.529
  516   1HB   LEU  66          HB2       LEU  66   1.580   0.715  -6.491
  517   2HB   LEU  66          HB3       LEU  66   2.149  -0.336  -7.755
  518    HG   LEU  66           HG       LEU  66   1.645  -2.291  -6.165
  519   1HD1  LEU  66          HD11      LEU  66   1.325  -1.181  -4.010
  520   2HD1  LEU  66          HD12      LEU  66   0.137  -0.069  -4.724
  521   3HD1  LEU  66          HD13      LEU  66  -0.226  -1.800  -4.528
  522   1HD2  LEU  66          HD21      LEU  66  -0.723  -2.325  -6.773
  523   2HD2  LEU  66          HD22      LEU  66  -0.645  -0.592  -7.180
  524   3HD2  LEU  66          HD23      LEU  66   0.286  -1.797  -8.107
  525    H    GLU  67           H        GLU  67   2.675   1.822  -4.865
  526    HA   GLU  67           HA       GLU  67   3.171   0.810  -2.124
  527   1HB   GLU  67          HB2       GLU  67   5.031   2.251  -2.734
  528   2HB   GLU  67          HB3       GLU  67   3.930   3.515  -3.309
  529   1HG   GLU  67          HG2       GLU  67   3.153   3.957  -1.065
  530   2HG   GLU  67          HG3       GLU  67   3.974   2.516  -0.443
  531    H    LEU  68           H        LEU  68   1.611   1.622  -0.626
  532    HA   LEU  68           HA       LEU  68  -0.925   2.509  -1.917
  533   1HB   LEU  68          HB2       LEU  68  -0.445   0.490   0.322
  534   2HB   LEU  68          HB3       LEU  68  -2.028   1.028  -0.219
  535    HG   LEU  68           HG       LEU  68  -0.061  -0.515  -1.949
  536   1HD1  LEU  68          HD11      LEU  68  -0.930  -1.863  -0.079
  537   2HD1  LEU  68          HD12      LEU  68  -2.593  -1.443  -0.539
  538   3HD1  LEU  68          HD13      LEU  68  -1.587  -2.410  -1.634
  539   1HD2  LEU  68          HD21      LEU  68  -2.955   0.349  -2.401
  540   2HD2  LEU  68          HD22      LEU  68  -1.504   0.826  -3.314
  541   3HD2  LEU  68          HD23      LEU  68  -2.084  -0.816  -3.408
  542    H    SER  69           H        SER  69  -2.316   3.791  -0.670
  543    HA   SER  69           HA       SER  69  -1.188   5.255   1.592
  544   1HB   SER  69          HB2       SER  69  -3.968   5.212   0.353
  545   2HB   SER  69          HB3       SER  69  -3.418   6.352   1.599
  546    HG   SER  69           HG       SER  69  -3.226   7.075  -0.652
  547    H    ASN  70           H        ASN  70  -2.767   2.226   1.229
  548    HA   ASN  70           HA       ASN  70  -3.747   2.065   4.001
  549   1HB   ASN  70          HB2       ASN  70  -4.901   0.729   2.281
  550   2HB   ASN  70          HB3       ASN  70  -3.380  -0.079   1.865
  551   1HD2  ASN  70          HD22      ASN  70  -4.456  -2.145   2.404
  552   2HD2  ASN  70          HD21      ASN  70  -4.621  -2.607   4.087
  553    H    SER  71           H        SER  71  -1.677   2.920   4.803
  554    HA   SER  71           HA       SER  71   0.799   1.593   4.488
  555   1HB   SER  71          HB2       SER  71  -0.115   3.471   6.703
  556   2HB   SER  71          HB3       SER  71   1.556   3.137   6.207
  557    HG   SER  71           HG       SER  71   0.734   5.072   5.292
  558    H    THR  72           H        THR  72  -0.086  -0.663   4.854
  559    HA   THR  72           HA       THR  72  -0.869  -1.661   7.352
  560    HB   THR  72           HB       THR  72   0.129  -3.839   6.322
  561    HG1  THR  72           HG1      THR  72   1.521  -2.436   4.877
  562   1HG2  THR  72          HG21      THR  72  -1.865  -2.269   4.640
  563   2HG2  THR  72          HG22      THR  72  -1.677  -4.035   4.712
  564   3HG2  THR  72          HG23      THR  72  -2.270  -3.154   6.128
  565    H    GLN  73           H        GLN  73   2.346  -0.640   6.369
  566    HA   GLN  73           HA       GLN  73   3.592  -1.674   8.825
  567   1HB   GLN  73          HB2       GLN  73   4.548  -2.260   5.977
  568   2HB   GLN  73          HB3       GLN  73   5.526  -2.485   7.425
  569   1HG   GLN  73          HG2       GLN  73   3.971  -4.194   8.267
  570   2HG   GLN  73          HG3       GLN  73   2.907  -3.952   6.876
  571   1HE2  GLN  73          HE22      GLN  73   6.213  -5.060   7.780
  572   2HE2  GLN  73          HE21      GLN  73   6.426  -6.065   6.367
  Start of MODEL   20
    1   1H    THR   2          H1        THR   2   3.187  -2.699   1.378
    2   2H    THR   2          H2        THR   2   3.283  -1.091   0.989
    3   3H    THR   2          H3        THR   2   2.096  -2.029   0.340
    4    HA   THR   2           HA       THR   2   3.910  -1.485  -1.187
    5    HB   THR   2           HB       THR   2   5.531  -3.384   0.554
    6    HG1  THR   2           HG1      THR   2   6.529  -1.600   1.373
    7   1HG2  THR   2          HG21      THR   2   6.297  -3.214  -1.806
    8   2HG2  THR   2          HG22      THR   2   6.336  -1.440  -1.659
    9   3HG2  THR   2          HG23      THR   2   7.447  -2.448  -0.707
   10    H    VAL   3           H        VAL   3   3.952  -2.817  -3.040
   11    HA   VAL   3           HA       VAL   3   3.372  -5.701  -2.694
   12    HB   VAL   3           HB       VAL   3   2.080  -3.948  -4.820
   13   1HG1  VAL   3          HG11      VAL   3   1.680  -6.898  -4.171
   14   2HG1  VAL   3          HG12      VAL   3   0.793  -5.963  -5.400
   15   3HG1  VAL   3          HG13      VAL   3   2.518  -6.245  -5.595
   16   1HG2  VAL   3          HG21      VAL   3  -0.103  -4.497  -3.736
   17   2HG2  VAL   3          HG22      VAL   3   0.787  -5.218  -2.371
   18   3HG2  VAL   3          HG23      VAL   3   0.920  -3.486  -2.719
   19    H    SER   4           H        SER   4   4.734  -6.895  -4.040
   20    HA   SER   4           HA       SER   4   6.686  -5.445  -5.742
   21   1HB   SER   4          HB2       SER   4   7.346  -7.376  -3.483
   22   2HB   SER   4          HB3       SER   4   8.502  -6.532  -4.522
   23    HG   SER   4           HG       SER   4   8.179  -5.543  -2.446
   24    H    ILE   5           H        ILE   5   7.939  -6.857  -7.087
   25    HA   ILE   5           HA       ILE   5   6.365  -9.031  -8.228
   26    HB   ILE   5           HB       ILE   5   9.176  -8.065  -8.912
   27   1HG1  ILE   5          HG12      ILE   5   7.825  -6.098  -9.089
   28   2HG1  ILE   5          HG13      ILE   5   8.101  -6.701 -10.703
   29   1HG2  ILE   5          HG21      ILE   5   8.650  -8.913 -11.200
   30   2HG2  ILE   5          HG22      ILE   5   8.689 -10.186 -10.002
   31   3HG2  ILE   5          HG23      ILE   5   7.126  -9.585 -10.592
   32   1HD1  ILE   5          HD11      ILE   5   5.823  -5.921 -10.473
   33   2HD1  ILE   5          HD12      ILE   5   5.824  -7.666 -10.768
   34   3HD1  ILE   5          HD13      ILE   5   5.525  -7.032  -9.130
   35    H    GLN   6           H        GLN   6   7.125 -11.272  -8.359
   36    HA   GLN   6           HA       GLN   6   8.872 -12.012  -6.052
   37   1HB   GLN   6          HB2       GLN   6   6.720 -13.813  -7.149
   38   2HB   GLN   6          HB3       GLN   6   7.526 -13.833  -5.593
   39   1HG   GLN   6          HG2       GLN   6   5.503 -13.011  -4.937
   40   2HG   GLN   6          HG3       GLN   6   6.319 -11.486  -5.242
   41   1HE2  GLN   6          HE22      GLN   6   4.906 -10.053  -6.356
   42   2HE2  GLN   6          HE21      GLN   6   3.734 -10.589  -7.542
   43    H    MET   7           H        MET   7   9.431 -11.643  -9.139
   44    HA   MET   7           HA       MET   7  11.041 -14.088  -9.498
   45   1HB   MET   7          HB2       MET   7   9.088 -12.975 -11.558
   46   2HB   MET   7          HB3       MET   7  10.322 -14.132 -11.913
   47   1HG   MET   7          HG2       MET   7   8.317 -15.254 -11.914
   48   2HG   MET   7          HG3       MET   7   9.256 -15.825 -10.532
   49   1HE   MET   7          HE1       MET   7   5.321 -13.388 -10.407
   50   2HE   MET   7          HE2       MET   7   6.854 -12.628 -10.900
   51   3HE   MET   7          HE3       MET   7   6.155 -13.942 -11.875
   52    H    ALA   8           H        ALA   8  12.583 -13.729 -11.227
   53    HA   ALA   8           HA       ALA   8  13.405 -10.898 -11.642
   54   1HB   ALA   8          HB1       ALA   8  15.161 -12.440 -10.837
   55   2HB   ALA   8          HB2       ALA   8  14.837 -13.530 -12.208
   56   3HB   ALA   8          HB3       ALA   8  15.490 -11.905 -12.502
   57    H    GLY   9           H        GLY   9  12.998  -9.926 -13.607
   58   1HA   GLY   9          HA2       GLY   9  12.895 -11.216 -16.107
   59   2HA   GLY   9          HA3       GLY   9  11.265 -11.285 -15.440
   60    H    ASN  10           H        ASN  10  10.341  -9.863 -16.925
   61    HA   ASN  10           HA       ASN  10  11.089  -6.981 -16.631
   62   1HB   ASN  10          HB2       ASN  10  10.789  -8.584 -19.187
   63   2HB   ASN  10          HB3       ASN  10  10.246  -6.912 -19.133
   64   1HD2  ASN  10          HD22      ASN  10  13.149  -7.799 -17.201
   65   2HD2  ASN  10          HD21      ASN  10  14.265  -7.030 -18.308
   66    H    LEU  11           H        LEU  11   9.299  -5.655 -16.562
   67    HA   LEU  11           HA       LEU  11   6.931  -7.046 -15.634
   68   1HB   LEU  11          HB2       LEU  11   8.144  -5.150 -14.482
   69   2HB   LEU  11          HB3       LEU  11   7.517  -4.067 -15.715
   70    HG   LEU  11           HG       LEU  11   5.173  -4.730 -15.027
   71   1HD1  LEU  11          HD11      LEU  11   6.661  -6.290 -12.866
   72   2HD1  LEU  11          HD12      LEU  11   4.949  -5.838 -12.759
   73   3HD1  LEU  11          HD13      LEU  11   5.484  -6.930 -14.029
   74   1HD2  LEU  11          HD21      LEU  11   5.249  -3.437 -12.929
   75   2HD2  LEU  11          HD22      LEU  11   6.995  -3.710 -12.803
   76   3HD2  LEU  11          HD23      LEU  11   6.326  -2.739 -14.142
   77    H    TRP  12           H        TRP  12   6.417  -7.872 -17.757
   78    HA   TRP  12           HA       TRP  12   5.979  -6.976 -20.146
   79   1HB   TRP  12          HB2       TRP  12   5.245  -9.177 -19.011
   80   2HB   TRP  12          HB3       TRP  12   3.699  -8.409 -18.755
   81    HD1  TRP  12           HD1      TRP  12   6.065  -9.197 -21.664
   82    HE1  TRP  12           HE1      TRP  12   4.734  -9.901 -23.731
   83    HE3  TRP  12           HE3      TRP  12   1.355  -8.503 -19.824
   84    HZ2  TRP  12           HZ2      TRP  12   1.939 -10.178 -24.473
   85    HZ3  TRP  12           HZ3      TRP  12  -0.630  -9.041 -21.209
   86    HH2  TRP  12           HH2      TRP  12  -0.350  -9.871 -23.534
   87    H    LYS  13           H        LYS  13   3.315  -6.433 -17.751
   88    HA   LYS  13           HA       LYS  13   2.688  -3.846 -18.965
   89   1HB   LYS  13          HB2       LYS  13   0.703  -6.163 -18.854
   90   2HB   LYS  13          HB3       LYS  13   0.219  -4.470 -19.024
   91   1HG   LYS  13          HG2       LYS  13   1.567  -4.328 -21.133
   92   2HG   LYS  13          HG3       LYS  13   1.891  -6.069 -20.997
   93   1HD   LYS  13          HD2       LYS  13  -0.604  -6.462 -20.968
   94   2HD   LYS  13          HD3       LYS  13  -0.841  -4.752 -21.329
   95   1HE   LYS  13          HE2       LYS  13   0.735  -6.737 -23.042
   96   2HE   LYS  13          HE3       LYS  13  -0.939  -6.262 -23.333
   97   1HZ   LYS  13          HZ1       LYS  13  -0.175  -3.983 -23.680
   98   2HZ   LYS  13          HZ2       LYS  13   1.385  -4.427 -23.447
   99   3HZ   LYS  13          HZ3       LYS  13   0.551  -5.001 -24.720
  100    H    VAL  14           H        VAL  14   1.101  -2.685 -17.543
  101    HA   VAL  14           HA       VAL  14   0.929  -3.633 -14.754
  102    HB   VAL  14           HB       VAL  14   2.048  -0.924 -15.633
  103   1HG1  VAL  14          HG11      VAL  14   2.420  -0.556 -13.168
  104   2HG1  VAL  14          HG12      VAL  14   0.718  -0.587 -13.615
  105   3HG1  VAL  14          HG13      VAL  14   1.455  -2.009 -12.837
  106   1HG2  VAL  14          HG21      VAL  14   4.070  -1.683 -14.348
  107   2HG2  VAL  14          HG22      VAL  14   3.305  -3.288 -14.190
  108   3HG2  VAL  14          HG23      VAL  14   3.768  -2.654 -15.787
  109    H    HIS  15           H        HIS  15  -0.946  -2.822 -13.754
  110    HA   HIS  15           HA       HIS  15  -2.926  -1.545 -15.586
  111   1HB   HIS  15          HB2       HIS  15  -3.606  -3.728 -13.621
  112   2HB   HIS  15          HB3       HIS  15  -4.493  -3.215 -15.049
  113    HD1  HIS  15           HD1      HIS  15  -2.289  -3.691 -17.311
  114    HD2  HIS  15           HD2      HIS  15  -2.956  -6.149 -13.967
  115    HE1  HIS  15           HE1      HIS  15  -1.240  -5.964 -17.849
  116    H    VAL  16           H        VAL  16  -1.330  -0.274 -13.370
  117    HA   VAL  16           HA       VAL  16  -3.603   0.702 -11.729
  118    HB   VAL  16           HB       VAL  16  -2.057   0.889  -9.800
  119   1HG1  VAL  16          HG11      VAL  16  -2.232  -1.401  -9.017
  120   2HG1  VAL  16          HG12      VAL  16  -3.704  -0.927  -9.879
  121   3HG1  VAL  16          HG13      VAL  16  -2.519  -1.982 -10.676
  122   1HG2  VAL  16          HG21      VAL  16  -0.231  -1.162 -11.070
  123   2HG2  VAL  16          HG22      VAL  16   0.095   0.579 -11.192
  124   3HG2  VAL  16          HG23      VAL  16  -0.005  -0.171  -9.607
  125    H    LYS  17           H        LYS  17  -3.115   2.785 -10.697
  126    HA   LYS  17           HA       LYS  17  -0.893   4.350 -11.659
  127   1HB   LYS  17          HB2       LYS  17  -2.282   6.249 -12.414
  128   2HB   LYS  17          HB3       LYS  17  -2.481   4.843 -13.458
  129   1HG   LYS  17          HG2       LYS  17  -4.645   4.311 -12.374
  130   2HG   LYS  17          HG3       LYS  17  -4.446   5.688 -11.272
  131   1HD   LYS  17          HD2       LYS  17  -4.442   7.237 -13.208
  132   2HD   LYS  17          HD3       LYS  17  -4.652   5.856 -14.309
  133   1HE   LYS  17          HE2       LYS  17  -6.787   5.281 -13.169
  134   2HE   LYS  17          HE3       LYS  17  -6.578   6.654 -12.074
  135   1HZ   LYS  17          HZ1       LYS  17  -6.916   6.856 -15.012
  136   2HZ   LYS  17          HZ2       LYS  17  -8.056   7.196 -13.901
  137   3HZ   LYS  17          HZ3       LYS  17  -6.722   8.126 -14.000
  138    H    ALA  18           H        ALA  18  -0.724   6.309 -10.220
  139    HA   ALA  18           HA       ALA  18  -1.499   5.856  -7.515
  140   1HB   ALA  18          HB1       ALA  18   0.368   7.343  -8.128
  141   2HB   ALA  18          HB2       ALA  18  -0.766   8.463  -8.924
  142   3HB   ALA  18          HB3       ALA  18  -0.843   8.215  -7.168
  143    H    GLY  19           H        GLY  19  -3.359   6.331  -6.419
  144   1HA   GLY  19          HA2       GLY  19  -5.364   7.409  -5.942
  145   2HA   GLY  19          HA3       GLY  19  -5.426   8.095  -7.571
  146    H    ASP  20           H        ASP  20  -4.676   4.961  -8.280
  147    HA   ASP  20           HA       ASP  20  -7.423   4.120  -8.763
  148   1HB   ASP  20          HB2       ASP  20  -5.429   3.519 -10.208
  149   2HB   ASP  20          HB3       ASP  20  -4.866   2.475  -8.889
  150    H    GLN  21           H        GLN  21  -8.064   1.858  -7.926
  151    HA   GLN  21           HA       GLN  21  -7.207   1.410  -5.107
  152   1HB   GLN  21          HB2       GLN  21  -9.357   2.555  -5.069
  153   2HB   GLN  21          HB3       GLN  21 -10.042   1.431  -6.226
  154   1HG   GLN  21          HG2       GLN  21  -8.904   0.240  -3.698
  155   2HG   GLN  21          HG3       GLN  21 -10.343   1.229  -3.522
  156   1HE2  GLN  21          HE22      GLN  21  -9.456  -1.946  -3.822
  157   2HE2  GLN  21          HE21      GLN  21 -10.910  -2.552  -4.585
  158    H    ILE  22           H        ILE  22  -6.824  -0.701  -4.643
  159    HA   ILE  22           HA       ILE  22  -7.489  -2.757  -6.683
  160    HB   ILE  22           HB       ILE  22  -5.358  -3.794  -6.430
  161   1HG1  ILE  22          HG12      ILE  22  -4.653  -1.635  -4.396
  162   2HG1  ILE  22          HG13      ILE  22  -4.849  -3.367  -4.100
  163   1HG2  ILE  22          HG21      ILE  22  -5.599  -1.955  -8.101
  164   2HG2  ILE  22          HG22      ILE  22  -4.870  -0.830  -6.935
  165   3HG2  ILE  22          HG23      ILE  22  -3.932  -2.187  -7.565
  166   1HD1  ILE  22          HD11      ILE  22  -2.629  -1.990  -5.634
  167   2HD1  ILE  22          HD12      ILE  22  -2.520  -3.004  -4.175
  168   3HD1  ILE  22          HD13      ILE  22  -2.904  -3.742  -5.727
  169    H    GLU  23           H        GLU  23  -7.430  -4.960  -5.715
  170    HA   GLU  23           HA       GLU  23  -8.242  -5.032  -2.873
  171   1HB   GLU  23          HB2       GLU  23 -10.254  -4.823  -4.255
  172   2HB   GLU  23          HB3       GLU  23  -9.749  -6.209  -5.238
  173   1HG   GLU  23          HG2       GLU  23  -9.918  -7.677  -3.245
  174   2HG   GLU  23          HG3       GLU  23 -10.343  -6.286  -2.245
  175    H    LYS  24           H        LYS  24  -7.568  -6.982  -1.870
  176    HA   LYS  24           HA       LYS  24  -5.278  -8.252  -2.737
  177   1HB   LYS  24          HB2       LYS  24  -6.282  -8.350  -0.449
  178   2HB   LYS  24          HB3       LYS  24  -7.495  -9.489  -1.043
  179   1HG   LYS  24          HG2       LYS  24  -5.700 -11.111  -1.621
  180   2HG   LYS  24          HG3       LYS  24  -4.479  -9.957  -1.081
  181   1HD   LYS  24          HD2       LYS  24  -5.587 -10.025   1.235
  182   2HD   LYS  24          HD3       LYS  24  -6.662 -11.272   0.597
  183   1HE   LYS  24          HE2       LYS  24  -5.038 -12.563   1.631
  184   2HE   LYS  24          HE3       LYS  24  -4.494 -12.558  -0.049
  185   1HZ   LYS  24          HZ1       LYS  24  -3.419 -10.932   2.180
  186   2HZ   LYS  24          HZ2       LYS  24  -2.642 -12.109   1.364
  187   3HZ   LYS  24          HZ3       LYS  24  -2.978 -10.679   0.630
  188    H    GLY  25           H        GLY  25  -4.754  -9.711  -4.307
  189   1HA   GLY  25          HA2       GLY  25  -4.962 -11.615  -5.590
  190   2HA   GLY  25          HA3       GLY  25  -6.658 -11.778  -5.128
  191    H    GLN  26           H        GLN  26  -6.587  -8.599  -6.104
  192    HA   GLN  26           HA       GLN  26  -7.588  -9.089  -8.773
  193   1HB   GLN  26          HB2       GLN  26  -8.070  -7.048  -7.255
  194   2HB   GLN  26          HB3       GLN  26  -6.423  -6.508  -7.647
  195   1HG   GLN  26          HG2       GLN  26  -7.303  -6.842 -10.166
  196   2HG   GLN  26          HG3       GLN  26  -8.878  -6.707  -9.406
  197   1HE2  GLN  26          HE22      GLN  26  -6.071  -5.021 -10.530
  198   2HE2  GLN  26          HE21      GLN  26  -6.560  -3.408 -10.027
  199    H    GLU  27           H        GLU  27  -6.397  -9.028 -10.710
  200    HA   GLU  27           HA       GLU  27  -3.503  -9.184 -10.686
  201   1HB   GLU  27          HB2       GLU  27  -5.052 -10.260 -12.357
  202   2HB   GLU  27          HB3       GLU  27  -5.445  -8.651 -12.975
  203   1HG   GLU  27          HG2       GLU  27  -3.028  -8.340 -13.568
  204   2HG   GLU  27          HG3       GLU  27  -2.682  -9.950 -12.940
  205    H    VAL  28           H        VAL  28  -2.060  -7.536 -10.977
  206    HA   VAL  28           HA       VAL  28  -3.028  -4.776 -11.515
  207    HB   VAL  28           HB       VAL  28  -1.435  -3.995  -9.721
  208   1HG1  VAL  28          HG11      VAL  28  -3.021  -4.322  -7.902
  209   2HG1  VAL  28          HG12      VAL  28  -3.884  -3.997  -9.412
  210   3HG1  VAL  28          HG13      VAL  28  -3.812  -5.650  -8.764
  211   1HG2  VAL  28          HG21      VAL  28  -0.850  -5.490  -7.893
  212   2HG2  VAL  28          HG22      VAL  28  -1.637  -6.850  -8.707
  213   3HG2  VAL  28          HG23      VAL  28  -0.164  -6.135  -9.398
  214    H    ALA  29           H        ALA  29  -0.551  -7.261 -12.000
  215    HA   ALA  29           HA       ALA  29   0.355  -5.688 -14.247
  216   1HB   ALA  29          HB1       ALA  29   2.765  -5.732 -13.639
  217   2HB   ALA  29          HB2       ALA  29   1.847  -4.726 -12.519
  218   3HB   ALA  29          HB3       ALA  29   2.365  -6.346 -12.027
  219    H    ILE  30           H        ILE  30   2.263  -7.046 -15.285
  220    HA   ILE  30           HA       ILE  30   1.913  -9.959 -14.850
  221    HB   ILE  30           HB       ILE  30   1.637  -8.484 -17.502
  222   1HG1  ILE  30          HG12      ILE  30  -0.192 -10.538 -16.166
  223   2HG1  ILE  30          HG13      ILE  30  -0.442  -8.799 -16.113
  224   1HG2  ILE  30          HG21      ILE  30   1.956 -11.494 -17.064
  225   2HG2  ILE  30          HG22      ILE  30   1.638 -10.701 -18.622
  226   3HG2  ILE  30          HG23      ILE  30   3.167 -10.440 -17.823
  227   1HD1  ILE  30          HD11      ILE  30  -1.901  -9.712 -17.763
  228   2HD1  ILE  30          HD12      ILE  30  -0.677  -8.723 -18.572
  229   3HD1  ILE  30          HD13      ILE  30  -0.572 -10.503 -18.615
  230    H    LEU  31           H        LEU  31   3.814 -11.014 -15.042
  231    HA   LEU  31           HA       LEU  31   6.327  -9.480 -15.540
  232   1HB   LEU  31          HB2       LEU  31   6.111 -10.266 -13.301
  233   2HB   LEU  31          HB3       LEU  31   5.572 -11.872 -13.796
  234    HG   LEU  31           HG       LEU  31   7.819 -11.681 -12.769
  235   1HD1  LEU  31          HD11      LEU  31   8.932 -13.293 -14.141
  236   2HD1  LEU  31          HD12      LEU  31   7.209 -13.655 -14.016
  237   3HD1  LEU  31          HD13      LEU  31   7.853 -12.953 -15.506
  238   1HD2  LEU  31          HD21      LEU  31   8.454  -9.564 -13.993
  239   2HD2  LEU  31          HD22      LEU  31   9.695 -10.819 -13.864
  240   3HD2  LEU  31          HD23      LEU  31   8.822 -10.584 -15.397
  241    H    GLU  32           H        GLU  32   7.602 -10.231 -17.215
  242    HA   GLU  32           HA       GLU  32   6.822 -12.749 -18.581
  243   1HB   GLU  32          HB2       GLU  32   6.595 -10.684 -19.937
  244   2HB   GLU  32          HB3       GLU  32   8.317 -10.364 -19.759
  245   1HG   GLU  32          HG2       GLU  32   7.180 -12.932 -20.957
  246   2HG   GLU  32          HG3       GLU  32   7.449 -11.488 -21.911
  247    H    SER  33           H        SER  33   8.244 -14.344 -18.223
  248    HA   SER  33           HA       SER  33  11.030 -13.965 -18.339
  249   1HB   SER  33          HB2       SER  33  10.477 -13.266 -15.884
  250   2HB   SER  33          HB3       SER  33  10.171 -14.986 -15.609
  251    HG   SER  33           HG       SER  33  12.358 -14.035 -15.263
  252    H    MET  34           H        MET  34  12.088 -16.227 -17.959
  253    HA   MET  34           HA       MET  34  12.246 -18.269 -18.933
  254   1HB   MET  34          HB2       MET  34   9.529 -18.800 -17.645
  255   2HB   MET  34          HB3       MET  34  10.658 -19.997 -18.242
  256   1HG   MET  34          HG2       MET  34  10.883 -20.014 -15.925
  257   2HG   MET  34          HG3       MET  34  12.337 -19.281 -16.576
  258   1HE   MET  34          HE1       MET  34   9.061 -16.886 -14.246
  259   2HE   MET  34          HE2       MET  34   8.792 -17.467 -15.896
  260   3HE   MET  34          HE3       MET  34   8.944 -18.633 -14.563
  261    H    LYS  35           H        LYS  35  10.924 -16.069 -20.460
  262    HA   LYS  35           HA       LYS  35   9.641 -15.562 -22.198
  263   1HB   LYS  35          HB2       LYS  35  10.506 -18.243 -23.317
  264   2HB   LYS  35          HB3       LYS  35   9.876 -16.877 -24.231
  265   1HG   LYS  35          HG2       LYS  35  12.533 -17.072 -22.774
  266   2HG   LYS  35          HG3       LYS  35  12.256 -16.903 -24.500
  267   1HD   LYS  35          HD2       LYS  35  11.805 -14.770 -22.365
  268   2HD   LYS  35          HD3       LYS  35  13.097 -14.825 -23.559
  269   1HE   LYS  35          HE2       LYS  35  11.487 -14.547 -25.393
  270   2HE   LYS  35          HE3       LYS  35  10.134 -14.580 -24.253
  271   1HZ   LYS  35          HZ1       LYS  35  10.781 -12.325 -24.898
  272   2HZ   LYS  35          HZ2       LYS  35  10.913 -12.525 -23.284
  273   3HZ   LYS  35          HZ3       LYS  35  12.257 -12.515 -24.239
  274    H    MET  36           H        MET  36   8.196 -16.309 -20.098
  275    HA   MET  36           HA       MET  36   5.672 -17.185 -21.340
  276   1HB   MET  36          HB2       MET  36   6.853 -18.149 -18.684
  277   2HB   MET  36          HB3       MET  36   5.147 -18.303 -19.101
  278   1HG   MET  36          HG2       MET  36   7.421 -19.560 -20.676
  279   2HG   MET  36          HG3       MET  36   6.442 -20.381 -19.467
  280   1HE   MET  36          HE1       MET  36   6.030 -22.307 -21.247
  281   2HE   MET  36          HE2       MET  36   5.348 -22.026 -22.864
  282   3HE   MET  36          HE3       MET  36   6.963 -21.402 -22.461
  283    H    GLU  37           H        GLU  37   3.850 -16.342 -19.895
  284    HA   GLU  37           HA       GLU  37   4.651 -13.802 -18.548
  285   1HB   GLU  37          HB2       GLU  37   2.080 -14.441 -20.048
  286   2HB   GLU  37          HB3       GLU  37   2.379 -13.010 -19.077
  287   1HG   GLU  37          HG2       GLU  37   2.771 -12.245 -21.227
  288   2HG   GLU  37          HG3       GLU  37   4.388 -12.513 -20.592
  289    H    ILE  38           H        ILE  38   3.856 -13.465 -16.516
  290    HA   ILE  38           HA       ILE  38   2.252 -15.598 -15.210
  291    HB   ILE  38           HB       ILE  38   4.851 -14.343 -14.215
  292   1HG1  ILE  38          HG12      ILE  38   5.331 -17.017 -14.128
  293   2HG1  ILE  38          HG13      ILE  38   4.210 -17.012 -15.474
  294   1HG2  ILE  38          HG21      ILE  38   3.298 -14.709 -12.355
  295   2HG2  ILE  38          HG22      ILE  38   3.004 -16.379 -12.895
  296   3HG2  ILE  38          HG23      ILE  38   4.599 -15.886 -12.288
  297   1HD1  ILE  38          HD11      ILE  38   6.897 -15.595 -15.236
  298   2HD1  ILE  38          HD12      ILE  38   6.451 -16.902 -16.341
  299   3HD1  ILE  38          HD13      ILE  38   5.789 -15.278 -16.579
  300    HA   PRO  39           HA       PRO  39   0.045 -11.778 -14.090
  301   1HB   PRO  39          HB2       PRO  39  -1.069 -13.619 -11.969
  302   2HB   PRO  39          HB3       PRO  39  -1.937 -12.463 -13.020
  303   1HG   PRO  39          HG2       PRO  39  -1.979 -15.124 -13.549
  304   2HG   PRO  39          HG3       PRO  39  -1.790 -13.941 -14.887
  305   1HD   PRO  39          HD2       PRO  39   0.347 -15.588 -13.517
  306   2HD   PRO  39          HD3       PRO  39   0.123 -15.232 -15.258
  307    H    ILE  40           H        ILE  40   0.196 -10.235 -12.440
  308    HA   ILE  40           HA       ILE  40   1.563 -10.952  -9.894
  309    HB   ILE  40           HB       ILE  40   1.808  -8.402 -11.520
  310   1HG1  ILE  40          HG12      ILE  40   3.216 -10.200 -12.466
  311   2HG1  ILE  40          HG13      ILE  40   4.132  -8.843 -11.853
  312   1HG2  ILE  40          HG21      ILE  40   3.410  -7.660  -9.777
  313   2HG2  ILE  40          HG22      ILE  40   1.762  -7.820  -9.181
  314   3HG2  ILE  40          HG23      ILE  40   2.959  -9.062  -8.785
  315   1HD1  ILE  40          HD11      ILE  40   3.751 -11.477 -10.354
  316   2HD1  ILE  40          HD12      ILE  40   5.171 -11.015 -11.300
  317   3HD1  ILE  40          HD13      ILE  40   4.768 -10.110  -9.839
  318    H    VAL  41           H        VAL  41   0.229 -10.596  -8.260
  319    HA   VAL  41           HA       VAL  41  -2.284  -9.107  -8.729
  320    HB   VAL  41           HB       VAL  41  -3.201 -10.739  -6.990
  321   1HG1  VAL  41          HG11      VAL  41  -3.619 -12.521  -8.639
  322   2HG1  VAL  41          HG12      VAL  41  -3.857 -10.911  -9.302
  323   3HG1  VAL  41          HG13      VAL  41  -2.381 -11.822  -9.713
  324   1HG2  VAL  41          HG21      VAL  41  -0.993 -11.656  -6.209
  325   2HG2  VAL  41          HG22      VAL  41  -2.150 -12.896  -6.716
  326   3HG2  VAL  41          HG23      VAL  41  -0.813 -12.459  -7.791
  327    H    ALA  42           H        ALA  42  -3.259  -8.114  -6.894
  328    HA   ALA  42           HA       ALA  42  -1.467  -6.582  -5.281
  329   1HB   ALA  42          HB1       ALA  42  -3.548  -5.756  -4.258
  330   2HB   ALA  42          HB2       ALA  42  -3.752  -5.859  -6.024
  331   3HB   ALA  42          HB3       ALA  42  -4.448  -7.103  -4.975
  332    H    ASP  43           H        ASP  43  -0.444  -7.256  -3.451
  333    HA   ASP  43           HA       ASP  43  -1.001  -9.721  -2.099
  334   1HB   ASP  43          HB2       ASP  43   1.214  -8.711  -1.973
  335   2HB   ASP  43          HB3       ASP  43   0.551  -7.221  -1.301
  336    H    ARG  44           H        ARG  44  -2.301  -6.457  -1.734
  337    HA   ARG  44           HA       ARG  44  -4.293  -7.387   0.155
  338   1HB   ARG  44          HB2       ARG  44  -3.732  -5.841   1.939
  339   2HB   ARG  44          HB3       ARG  44  -2.385  -6.927   1.636
  340   1HG   ARG  44          HG2       ARG  44  -1.632  -4.822   0.044
  341   2HG   ARG  44          HG3       ARG  44  -2.591  -3.963   1.248
  342   1HD   ARG  44          HD2       ARG  44  -0.117  -5.681   1.663
  343   2HD   ARG  44          HD3       ARG  44  -0.276  -3.954   1.918
  344    HE   ARG  44           HE       ARG  44  -1.601  -4.325   3.868
  345   1HH1  ARG  44          HH21      ARG  44  -0.130  -7.371   2.614
  346   2HH1  ARG  44          HH22      ARG  44  -0.225  -8.149   4.152
  347   1HH2  ARG  44          HH11      ARG  44  -1.735  -5.440   5.856
  348   2HH2  ARG  44          HH12      ARG  44  -1.165  -7.057   6.003
  349    H    SER  45           H        SER  45  -6.003  -5.757   0.393
  350    HA   SER  45           HA       SER  45  -6.423  -4.184  -1.960
  351   1HB   SER  45          HB2       SER  45  -7.910  -4.079   0.697
  352   2HB   SER  45          HB3       SER  45  -8.546  -3.691  -0.909
  353    HG   SER  45           HG       SER  45  -9.086  -5.830  -0.048
  354    H    GLY  46           H        GLY  46  -6.684  -1.831  -2.065
  355   1HA   GLY  46          HA2       GLY  46  -6.554  -0.021  -0.024
  356   2HA   GLY  46          HA3       GLY  46  -4.846  -0.304  -0.386
  357    H    ILE  47           H        ILE  47  -5.490   2.170  -0.729
  358    HA   ILE  47           HA       ILE  47  -6.137   2.716  -3.569
  359    HB   ILE  47           HB       ILE  47  -5.319   4.558  -1.279
  360   1HG1  ILE  47          HG12      ILE  47  -7.520   3.707  -0.787
  361   2HG1  ILE  47          HG13      ILE  47  -7.640   5.383  -1.289
  362   1HG2  ILE  47          HG21      ILE  47  -4.650   5.575  -3.363
  363   2HG2  ILE  47          HG22      ILE  47  -6.221   5.229  -4.110
  364   3HG2  ILE  47          HG23      ILE  47  -6.092   6.406  -2.785
  365   1HD1  ILE  47          HD11      ILE  47  -8.323   2.941  -2.975
  366   2HD1  ILE  47          HD12      ILE  47  -9.459   4.099  -2.267
  367   3HD1  ILE  47          HD13      ILE  47  -8.378   4.617  -3.574
  368    H    VAL  48           H        VAL  48  -4.521   3.015  -5.034
  369    HA   VAL  48           HA       VAL  48  -1.757   2.325  -4.433
  370    HB   VAL  48           HB       VAL  48  -2.988   3.521  -6.920
  371   1HG1  VAL  48          HG11      VAL  48  -0.416   1.904  -6.490
  372   2HG1  VAL  48          HG12      VAL  48  -1.042   2.501  -8.043
  373   3HG1  VAL  48          HG13      VAL  48  -0.491   3.651  -6.820
  374   1HG2  VAL  48          HG21      VAL  48  -2.568   0.588  -6.187
  375   2HG2  VAL  48          HG22      VAL  48  -4.131   1.403  -6.426
  376   3HG2  VAL  48          HG23      VAL  48  -3.041   1.204  -7.788
  377    H    LYS  49           H        LYS  49  -0.521   3.750  -3.278
  378    HA   LYS  49           HA       LYS  49  -1.109   6.636  -3.375
  379   1HB   LYS  49          HB2       LYS  49  -0.249   5.174  -1.337
  380   2HB   LYS  49          HB3       LYS  49   1.337   5.443  -2.037
  381   1HG   LYS  49          HG2       LYS  49  -0.678   7.584  -1.188
  382   2HG   LYS  49          HG3       LYS  49   0.695   7.039  -0.238
  383   1HD   LYS  49          HD2       LYS  49   2.217   7.858  -2.112
  384   2HD   LYS  49          HD3       LYS  49   0.771   8.605  -2.837
  385   1HE   LYS  49          HE2       LYS  49   0.365   9.870  -0.748
  386   2HE   LYS  49          HE3       LYS  49   1.815   9.157  -0.030
  387   1HZ   LYS  49          HZ1       LYS  49   2.256  11.352  -0.928
  388   2HZ   LYS  49          HZ2       LYS  49   3.127  10.255  -1.757
  389   3HZ   LYS  49          HZ3       LYS  49   1.783  10.911  -2.421
  390    H    GLU  50           H        GLU  50   1.400   4.235  -4.476
  391    HA   GLU  50           HA       GLU  50   2.053   6.091  -6.650
  392   1HB   GLU  50          HB2       GLU  50   3.501   6.803  -4.693
  393   2HB   GLU  50          HB3       GLU  50   4.209   5.186  -4.674
  394   1HG   GLU  50          HG2       GLU  50   5.650   6.845  -5.771
  395   2HG   GLU  50          HG3       GLU  50   5.219   5.532  -6.847
  396    H    VAL  51           H        VAL  51   3.390   5.068  -8.296
  397    HA   VAL  51           HA       VAL  51   3.492   2.087  -8.143
  398    HB   VAL  51           HB       VAL  51   2.987   3.739 -10.656
  399   1HG1  VAL  51          HG11      VAL  51   2.825   0.728 -10.128
  400   2HG1  VAL  51          HG12      VAL  51   2.451   1.544 -11.662
  401   3HG1  VAL  51          HG13      VAL  51   4.102   1.553 -11.045
  402   1HG2  VAL  51          HG21      VAL  51   1.008   2.110  -9.012
  403   2HG2  VAL  51          HG22      VAL  51   0.970   3.875  -9.244
  404   3HG2  VAL  51          HG23      VAL  51   0.688   2.809 -10.617
  405    H    LYS  52           H        LYS  52   5.522   1.305  -8.483
  406    HA   LYS  52           HA       LYS  52   7.664   3.363  -8.692
  407   1HB   LYS  52          HB2       LYS  52   7.687   0.525  -7.585
  408   2HB   LYS  52          HB3       LYS  52   9.031   1.658  -7.523
  409   1HG   LYS  52          HG2       LYS  52   6.369   1.944  -6.060
  410   2HG   LYS  52          HG3       LYS  52   7.935   1.510  -5.375
  411   1HD   LYS  52          HD2       LYS  52   8.820   3.759  -6.099
  412   2HD   LYS  52          HD3       LYS  52   7.154   4.210  -6.538
  413   1HE   LYS  52          HE2       LYS  52   6.391   3.869  -4.250
  414   2HE   LYS  52          HE3       LYS  52   7.957   3.198  -3.779
  415   1HZ   LYS  52          HZ1       LYS  52   8.960   5.357  -4.158
  416   2HZ   LYS  52          HZ2       LYS  52   7.539   6.009  -4.632
  417   3HZ   LYS  52          HZ3       LYS  52   7.740   5.504  -3.094
  418    H    LYS  53           H        LYS  53   6.178   1.319 -10.845
  419    HA   LYS  53           HA       LYS  53   8.641   0.894 -12.433
  420   1HB   LYS  53          HB2       LYS  53   6.574  -1.230 -11.678
  421   2HB   LYS  53          HB3       LYS  53   7.783  -1.430 -12.948
  422   1HG   LYS  53          HG2       LYS  53   8.509  -0.950 -10.043
  423   2HG   LYS  53          HG3       LYS  53   8.349  -2.547 -10.786
  424   1HD   LYS  53          HD2       LYS  53  10.081  -1.969 -12.447
  425   2HD   LYS  53          HD3       LYS  53  10.283  -0.369 -11.700
  426   1HE   LYS  53          HE2       LYS  53  11.067  -1.358  -9.623
  427   2HE   LYS  53          HE3       LYS  53  10.701  -2.981 -10.188
  428   1HZ   LYS  53          HZ1       LYS  53  12.342  -2.582 -12.010
  429   2HZ   LYS  53          HZ2       LYS  53  12.793  -1.189 -11.259
  430   3HZ   LYS  53          HZ3       LYS  53  12.960  -2.656 -10.497
  431    H    LYS  54           H        LYS  54   7.812  -0.138 -14.652
  432    HA   LYS  54           HA       LYS  54   5.283   1.002 -15.552
  433   1HB   LYS  54          HB2       LYS  54   6.290   2.256 -17.387
  434   2HB   LYS  54          HB3       LYS  54   6.800   2.917 -15.836
  435   1HG   LYS  54          HG2       LYS  54   8.986   1.759 -16.033
  436   2HG   LYS  54          HG3       LYS  54   8.499   1.064 -17.583
  437   1HD   LYS  54          HD2       LYS  54   8.755   4.047 -17.010
  438   2HD   LYS  54          HD3       LYS  54   9.993   3.042 -17.780
  439   1HE   LYS  54          HE2       LYS  54   8.392   2.478 -19.609
  440   2HE   LYS  54          HE3       LYS  54   7.186   3.539 -18.871
  441   1HZ   LYS  54          HZ1       LYS  54   8.704   5.400 -19.219
  442   2HZ   LYS  54          HZ2       LYS  54   9.817   4.419 -19.907
  443   3HZ   LYS  54          HZ3       LYS  54   8.382   4.661 -20.634
  444    H    GLU  55           H        GLU  55   4.859   0.289 -17.794
  445    HA   GLU  55           HA       GLU  55   5.191  -2.461 -18.116
  446   1HB   GLU  55          HB2       GLU  55   4.689  -0.451 -20.359
  447   2HB   GLU  55          HB3       GLU  55   4.316  -2.170 -20.349
  448   1HG   GLU  55          HG2       GLU  55   2.243  -1.417 -19.838
  449   2HG   GLU  55          HG3       GLU  55   2.864  -1.503 -18.196
  450    H    GLY  56           H        GLY  56   6.802  -3.701 -18.805
  451   1HA   GLY  56          HA2       GLY  56   8.505  -4.478 -20.118
  452   2HA   GLY  56          HA3       GLY  56   8.651  -2.899 -20.901
  453    H    ASP  57           H        ASP  57   8.809  -2.246 -17.564
  454    HA   ASP  57           HA       ASP  57  11.667  -1.801 -17.736
  455   1HB   ASP  57          HB2       ASP  57  10.116  -0.358 -16.422
  456   2HB   ASP  57          HB3       ASP  57   9.888  -1.684 -15.276
  457    H    PHE  58           H        PHE  58  13.251  -2.709 -16.236
  458    HA   PHE  58           HA       PHE  58  13.121  -5.622 -16.023
  459   1HB   PHE  58          HB2       PHE  58  15.235  -4.446 -16.489
  460   2HB   PHE  58          HB3       PHE  58  15.084  -3.545 -14.986
  461    HD1  PHE  58           HD1      PHE  58  15.716  -4.523 -12.849
  462    HD2  PHE  58           HD2      PHE  58  15.745  -6.906 -16.447
  463    HE1  PHE  58           HE1      PHE  58  17.019  -6.281 -11.680
  464    HE2  PHE  58           HE2      PHE  58  17.040  -8.663 -15.271
  465    HZ   PHE  58           HZ       PHE  58  17.706  -8.342 -12.898
  466    H    VAL  59           H        VAL  59  12.840  -6.827 -14.121
  467    HA   VAL  59           HA       VAL  59  12.357  -5.442 -11.581
  468    HB   VAL  59           HB       VAL  59  10.270  -6.908 -11.295
  469   1HG1  VAL  59          HG11      VAL  59  10.198  -4.486 -11.383
  470   2HG1  VAL  59          HG12      VAL  59  10.102  -4.514 -13.164
  471   3HG1  VAL  59          HG13      VAL  59   8.787  -5.172 -12.181
  472   1HG2  VAL  59          HG21      VAL  59  10.208  -6.794 -14.337
  473   2HG2  VAL  59          HG22      VAL  59  10.477  -8.260 -13.366
  474   3HG2  VAL  59          HG23      VAL  59   8.928  -7.394 -13.272
  475    H    ASN  60           H        ASN  60  12.196  -7.013  -9.777
  476    HA   ASN  60           HA       ASN  60  13.520  -9.554 -10.297
  477   1HB   ASN  60          HB2       ASN  60  15.106  -7.322  -9.735
  478   2HB   ASN  60          HB3       ASN  60  14.891  -8.073  -8.154
  479   1HD2  ASN  60          HD22      ASN  60  15.584  -8.913 -11.609
  480   2HD2  ASN  60          HD21      ASN  60  16.740 -10.175 -11.236
  481    H    GLU  61           H        GLU  61  13.841 -10.791  -8.226
  482    HA   GLU  61           HA       GLU  61  11.315 -11.041  -6.935
  483   1HB   GLU  61          HB2       GLU  61  12.926 -12.879  -7.333
  484   2HB   GLU  61          HB3       GLU  61  14.065 -12.146  -6.204
  485   1HG   GLU  61          HG2       GLU  61  12.277 -12.375  -4.403
  486   2HG   GLU  61          HG3       GLU  61  11.277 -13.220  -5.585
  487    H    GLY  62           H        GLY  62  10.506  -9.587  -5.539
  488   1HA   GLY  62          HA2       GLY  62  10.359  -8.527  -3.481
  489   2HA   GLY  62          HA3       GLY  62  12.117  -8.558  -3.293
  490    H    ASP  63           H        ASP  63  11.404  -7.458  -6.482
  491    HA   ASP  63           HA       ASP  63  12.171  -4.738  -5.766
  492   1HB   ASP  63          HB2       ASP  63  12.950  -6.092  -7.797
  493   2HB   ASP  63          HB3       ASP  63  11.342  -5.836  -8.479
  494    H    VAL  64           H        VAL  64  10.729  -3.040  -5.568
  495    HA   VAL  64           HA       VAL  64   8.028  -3.732  -5.008
  496    HB   VAL  64           HB       VAL  64   9.346  -0.995  -5.241
  497   1HG1  VAL  64          HG11      VAL  64   7.495  -0.301  -3.670
  498   2HG1  VAL  64          HG12      VAL  64   6.931  -0.726  -5.284
  499   3HG1  VAL  64          HG13      VAL  64   6.725  -1.878  -3.956
  500   1HG2  VAL  64          HG21      VAL  64  10.493  -2.378  -3.557
  501   2HG2  VAL  64          HG22      VAL  64   9.510  -1.156  -2.753
  502   3HG2  VAL  64          HG23      VAL  64   8.935  -2.835  -2.840
  503    H    LEU  65           H        LEU  65   6.197  -3.539  -6.139
  504    HA   LEU  65           HA       LEU  65   6.223  -2.630  -8.967
  505   1HB   LEU  65          HB2       LEU  65   5.042  -4.736  -8.551
  506   2HB   LEU  65          HB3       LEU  65   4.156  -4.036  -7.206
  507    HG   LEU  65           HG       LEU  65   2.959  -2.496  -8.752
  508   1HD1  LEU  65          HD11      LEU  65   3.036  -2.906 -11.181
  509   2HD1  LEU  65          HD12      LEU  65   4.601  -2.350 -10.590
  510   3HD1  LEU  65          HD13      LEU  65   4.352  -4.078 -10.945
  511   1HD2  LEU  65          HD21      LEU  65   2.739  -5.426  -9.507
  512   2HD2  LEU  65          HD22      LEU  65   1.970  -4.652  -8.105
  513   3HD2  LEU  65          HD23      LEU  65   1.500  -4.176  -9.743
  514    H    LEU  66           H        LEU  66   4.572  -2.091  -5.765
  515    HA   LEU  66           HA       LEU  66   4.154   0.726  -6.411
  516   1HB   LEU  66          HB2       LEU  66   1.723   0.674  -6.425
  517   2HB   LEU  66          HB3       LEU  66   2.377  -0.277  -7.728
  518    HG   LEU  66           HG       LEU  66   1.910  -2.345  -6.289
  519   1HD1  LEU  66          HD11      LEU  66   0.339  -0.275  -4.704
  520   2HD1  LEU  66          HD12      LEU  66  -0.018  -2.018  -4.660
  521   3HD1  LEU  66          HD13      LEU  66   1.526  -1.436  -4.069
  522   1HD2  LEU  66          HD21      LEU  66   0.568  -1.799  -8.203
  523   2HD2  LEU  66          HD22      LEU  66  -0.461  -2.403  -6.914
  524   3HD2  LEU  66          HD23      LEU  66  -0.411  -0.655  -7.242
  525    H    GLU  67           H        GLU  67   2.810   1.797  -4.672
  526    HA   GLU  67           HA       GLU  67   3.021   0.434  -2.074
  527   1HB   GLU  67          HB2       GLU  67   4.710   2.632  -2.876
  528   2HB   GLU  67          HB3       GLU  67   3.582   3.244  -1.681
  529   1HG   GLU  67          HG2       GLU  67   5.319   0.762  -1.334
  530   2HG   GLU  67          HG3       GLU  67   5.739   2.369  -0.755
  531    H    LEU  68           H        LEU  68   1.538   1.227  -0.534
  532    HA   LEU  68           HA       LEU  68  -0.953   2.261  -1.830
  533   1HB   LEU  68          HB2       LEU  68  -0.618   0.110   0.313
  534   2HB   LEU  68          HB3       LEU  68  -2.159   0.705  -0.296
  535    HG   LEU  68           HG       LEU  68  -0.093  -0.817  -1.937
  536   1HD1  LEU  68          HD11      LEU  68  -2.798  -1.725  -0.870
  537   2HD1  LEU  68          HD12      LEU  68  -1.683  -2.671  -1.880
  538   3HD1  LEU  68          HD13      LEU  68  -1.213  -2.216  -0.237
  539   1HD2  LEU  68          HD21      LEU  68  -1.909  -0.935  -3.639
  540   2HD2  LEU  68          HD22      LEU  68  -2.895   0.165  -2.659
  541   3HD2  LEU  68          HD23      LEU  68  -1.337   0.684  -3.352
  542    H    SER  69           H        SER  69  -2.273   3.608  -0.610
  543    HA   SER  69           HA       SER  69  -1.061   5.274   1.284
  544   1HB   SER  69          HB2       SER  69  -4.020   4.746   0.847
  545   2HB   SER  69          HB3       SER  69  -3.295   6.216   1.542
  546    HG   SER  69           HG       SER  69  -3.711   6.535  -0.651
  547    H    ASN  70           H        ASN  70  -2.638   2.189   1.791
  548    HA   ASN  70           HA       ASN  70  -3.239   2.249   4.545
  549   1HB   ASN  70          HB2       ASN  70  -3.814   0.376   3.047
  550   2HB   ASN  70          HB3       ASN  70  -2.103  -0.002   2.816
  551   1HD2  ASN  70          HD22      ASN  70  -0.906  -1.040   4.582
  552   2HD2  ASN  70          HD21      ASN  70  -1.777  -1.758   5.915
  553    H    SER  71           H        SER  71  -0.083   1.909   2.898
  554    HA   SER  71           HA       SER  71   1.251   1.564   5.548
  555   1HB   SER  71          HB2       SER  71   2.132   0.476   2.863
  556   2HB   SER  71          HB3       SER  71   2.750   0.054   4.470
  557    HG   SER  71           HG       SER  71   1.330  -1.539   3.785
  558    H    THR  72           H        THR  72   1.207   3.448   2.576
  559    HA   THR  72           HA       THR  72   3.870   4.502   2.815
  560    HB   THR  72           HB       THR  72   1.447   5.776   1.485
  561    HG1  THR  72           HG1      THR  72   1.727   3.662   0.729
  562   1HG2  THR  72          HG21      THR  72   3.368   7.290   1.531
  563   2HG2  THR  72          HG22      THR  72   4.447   5.999   0.955
  564   3HG2  THR  72          HG23      THR  72   3.187   6.653  -0.110
  565    H    GLN  73           H        GLN  73   0.702   5.414   4.203
  566    HA   GLN  73           HA       GLN  73   1.534   7.960   5.285
  567   1HB   GLN  73          HB2       GLN  73  -0.748   6.062   5.993
  568   2HB   GLN  73          HB3       GLN  73  -0.502   7.642   6.741
  569   1HG   GLN  73          HG2       GLN  73  -0.722   8.760   4.551
  570   2HG   GLN  73          HG3       GLN  73  -0.958   7.200   3.757
  571   1HE2  GLN  73          HE22      GLN  73  -2.844   5.864   4.518
  572   2HE2  GLN  73          HE21      GLN  73  -4.308   6.698   5.028