*HEADER    VIRUS/VIRAL PROTEIN                     14-MAR-05   1Z3R              
*TITLE     SOLUTION STRUCTURE OF THE OMSK HEMHORRAGHIC FEVER ENVELOPE            
*TITLE    2 PROTEIN DOMAIN III                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLYPROTEIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: OMSK HEMORRHAGIC FEVER ENVELOPE PROTEIN DOMAIN             
*COMPND   5 III;                                                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OMSK HEMORRHAGIC FEVER VIRUS;                   
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PMAL_C2X                                  
*KEYWDS    FLAVIVIRUS DOMAIN III, OMSK HEMORRHAGIC FEVER, OHF,                   
*KEYWDS   2 ENVELOPE PROTEIN                                                     
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    D.E.VOLK, D.W.C.BEASLEY, A.D.T.BARRETT, D.G.GORENSTEIN                
*REVDAT   1   14-MAR-06 1Z3R    0                                                

#   98 LYS  H            95 TRP  HE1         5.00    (#     14:10  Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1481,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   97 GLN  HE22         95 TRP  HE1         5.00    (#     15:10  Preassigned    4.79, 4.79 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1477,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 TRP  HZ2          95 TRP  HE1         4.00    (#     16:10  Preassigned    2.88, 2.88 A)
 &rst
  ixpk= 16, nxpk= 10, iat=1433,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HD1          95 TRP  HE1         4.00    (#     18:10  Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 18, nxpk= 10, iat=1428,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           95 TRP  HE1         4.00    (#     20:10  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 20, nxpk= 10, iat=1466,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  QG           95 TRP  HE1         4.00    (#     21:10  Preassigned    3.93, 4.20 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   97 GLN  HB-          95 TRP  HE1         4.00    (#     22:10  Preassigned    2.77, 3.51 A)
# CHANGED TO HB3
 &rst
  ixpk= 22, nxpk= 10, iat=  1469,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          95 TRP  HE1         5.00    (#     23:10  Preassigned    3.36, 3.89 A)
# CHANGED TO HB2
 &rst
  ixpk= 23, nxpk= 10, iat=  1172,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  QD2          95 TRP  HE1         5.00    (#     24:10  Preassigned    5.79, 6.35 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1181,1182,1183,
 &end
#
#   29 VAL  QG2          95 TRP  HE1         4.00    (#     25:10  Preassigned    1.97, 2.70 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   91 LEU  HG           17 TRP  HE1         5.00    (#     29:10  Preassigned    2.80, 2.80 A)
 &rst
  ixpk= 29, nxpk= 10, iat=1352, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HZ3          17 TRP  HE1         6.00    (#     30:10  Preassigned    5.91, 5.91 A)
 &rst
  ixpk= 30, nxpk= 10, iat= 275, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 TRP  HH2          17 TRP  HE1         5.00    (#     31:10  Preassigned    5.10, 5.10 A)
 &rst
  ixpk= 31, nxpk= 10, iat= 273, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  HA           17 TRP  HE1         5.00    (#     32:10  Preassigned    4.53, 4.53 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1347, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HD1          17 TRP  HE1         4.00    (#     37:10  Preassigned    2.56, 2.56 A)
 &rst
  ixpk= 37, nxpk= 10, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HZ2          17 TRP  HE1         5.00    (#     38:10  Preassigned    2.87, 2.87 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  QB           17 TRP  HE1         5.00    (#     39:10  Preassigned    5.43, 5.47 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1349,1350,
 &end
#
#   91 LEU  QD2          17 TRP  HE1         5.00    (#     40:10  Preassigned    3.49, 4.34 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#   42 ARG  H            10 CYS  H           4.00    (#     46:10  Preassigned    3.74, 3.74 A)
 &rst
  ixpk= 46, nxpk= 10, iat= 627, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 MET  HA           10 CYS  H           3.00    (#     47:10  Preassigned    2.26, 2.26 A)
 &rst
  ixpk= 47, nxpk= 10, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 CYS  HA           10 CYS  H           4.00    (#     48:10  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 48, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 THR  HB           10 CYS  H           4.00    (#     49:10  Unique         7.46, 7.46 A)
#&rst
# ixpk= 49, nxpk= 10, iat= 571, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HA           10 CYS  H           5.00    (#     50:10  Preassigned    3.77, 3.77 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 653, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS  HB+          10 CYS  H           4.00    (#     51:10  Preassigned    2.74, 3.50 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 51, nxpk= 10, iat=  621, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   41 CYS  HB-          10 CYS  H           4.00    (#     52:10  Preassigned    2.74, 3.50 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 52, nxpk= 10, iat=  622, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB+          10 CYS  H           4.00    (#     53:10  Preassigned    2.49, 3.09 A)
# CHANGED TO HB3
 &rst
  ixpk= 53, nxpk= 10, iat=  153, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB-          10 CYS  H           4.00    (#     54:10  Preassigned    2.49, 3.09 A)
# CHANGED TO HB2
 &rst
  ixpk= 54, nxpk= 10, iat=  152, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    9 MET  QB           10 CYS  H           4.00    (#     55:10  Preassigned    3.03, 3.53 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#   42 ARG  QG           10 CYS  H           5.00    (#     57:10  Preassigned    4.51, 4.94 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 634, 635,
 &end
#
#   48 VAL  H            85 ILE  H           4.00    (#     62:10  Preassigned    2.59, 2.59 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 734,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:63      85 ILE  H           5.00    (#     63:10  Single Ambig)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1267,1234,
 &end
#
#   84 ASN  HA           85 ILE  H           3.00    (#     64:10  Preassigned    2.08, 2.08 A)
 &rst
  ixpk= 64, nxpk= 10, iat=1236,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           85 ILE  H           5.00    (#     65:10  Preassigned    4.18, 4.18 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 726,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 ALA  HA           85 ILE  H           4.00    (#     66:10  Preassigned    3.45, 3.45 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 752,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HA           85 ILE  H           4.00    (#     67:10  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 67, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HB+          85 ILE  H           4.00    (#     68:10  Preassigned    3.05, 3.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 68, nxpk= 10, iat=  1238,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   84 ASN  HB-          85 ILE  H           4.00    (#     69:10  Preassigned    3.05, 3.17 A)
# CHANGED TO HB3
 &rst
  ixpk= 69, nxpk= 10, iat=  1239,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   85 ILE  HB           85 ILE  H           4.00    (#     70:10  Preassigned    2.36, 2.36 A)
 &rst
  ixpk= 70, nxpk= 10, iat=1252,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HG12         85 ILE  H           4.00    (#     71:10  Preassigned    3.90, 3.90 A)
 &rst
  ixpk= 71, nxpk= 10, iat=1258,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  QB           85 ILE  H           5.00    (#     72:10  Preassigned    4.38, 5.33 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 728, 729, 730,
 &end
#
#   85 ILE  HG13         85 ILE  H           4.00    (#     73:10  Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 73, nxpk= 10, iat=1259,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HG1-         85 ILE  H           4.00    (#     74:10  Unique         4.44, 4.74 A)
# CHANGED TO HG12
 &rst
  ixpk= 74, nxpk= 10, iat=  1277,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   57 VAL  QG2          85 ILE  H           5.00    (#     75:10  Preassigned    5.18, 5.72 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 858, 859, 860,
 &end
#
#   85 ILE  QG2          85 ILE  H           5.00    (#     76:10  Preassigned    4.41, 4.57 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1254,1255,1256,
 &end
#
#   50 HIS  H            85 ILE  H           5.00    (#     78:10  Preassigned    4.75, 4.75 A)
 &rst
  ixpk= 78, nxpk= 10, iat= 760,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 HIS  H            86 ILE  H           5.00    (#     91:10  Preassigned    2.87, 2.87 A)
 &rst
  ixpk= 91, nxpk= 10, iat=1386,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  H            86 ILE  H           4.00    (#     92:10  Preassigned    4.05, 4.05 A)
 &rst
  ixpk= 92, nxpk= 10, iat=1286,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  HA           86 ILE  H           5.00    (#     94:10  Preassigned    4.44, 4.44 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 726,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 GLN  HA           86 ILE  H           4.00    (#     95:10  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 95, nxpk= 10, iat=1405,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HA           86 ILE  H           3.00    (#     96:10  Preassigned    1.80, 1.80 A)
 &rst
  ixpk= 96, nxpk= 10, iat=1250,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HA           86 ILE  H           4.00    (#     97:10  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 97, nxpk= 10, iat=1269,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HB           86 ILE  H           4.00    (#     98:10  Preassigned    2.56, 2.56 A)
 &rst
  ixpk= 98, nxpk= 10, iat=1271,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HG1+         86 ILE  H           4.00    (#     99:10  Preassigned    2.98, 3.49 A)
# CHANGED TO HG13
 &rst
  ixpk= 99, nxpk= 10, iat=  1278,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   47 ALA  QB           86 ILE  H           5.00    (#    100:10  Preassigned    5.03, 5.69 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 728, 729, 730,
 &end
#
#   21 PRO  HG-          86 ILE  H           5.00    (#    101:10  Preassigned    4.93, 5.49 A)
# CHANGED TO HG2
 &rst
  ixpk= 101, nxpk= 10, iat=  343,1267, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   86 ILE  HG1-         86 ILE  H           4.00    (#    102:10  Preassigned    2.98, 3.49 A)
# CHANGED TO HG12
 &rst
  ixpk= 102, nxpk= 10, iat=  1277,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.59,
 &end
#
#   86 ILE  QD1          86 ILE  H           5.00    (#    103:10  Preassigned    4.52, 5.00 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1280,1281,1282,
 &end
#
#   85 ILE  QG2          86 ILE  H           4.00    (#    104:10  Preassigned    3.46, 4.00 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   48 VAL  HA           49 ALA  H           3.00    (#    107:10  Preassigned    2.08, 2.08 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA  HA           49 ALA  H           4.00    (#    108:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 VAL  HB           49 ALA  H           4.00    (#    110:10  Preassigned    2.69, 2.69 A)
 &rst
  ixpk= 110, nxpk= 10, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 ALA  QB           49 ALA  H           3.00    (#    111:10  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 754, 755, 756,
 &end
#
#   52 ALA  QB           49 ALA  H           4.00    (#    112:10  Preassigned    3.43, 4.48 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 788, 789, 790,
 &end
#
#   48 VAL  QG2          49 ALA  H           4.00    (#    113:10  Preassigned    3.72, 4.35 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 744, 745, 746,
 &end
#
#   57 VAL  QG2          49 ALA  H           4.00    (#    114:10  Preassigned    4.13, 4.82 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   92 LYS  HB-          86 ILE  H           5.00    (#    117:10  Preassigned    3.85, 4.61 A)
# CHANGED TO HB2
 &rst
  ixpk= 117, nxpk= 10, iat=  1368,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   19 ARG  H            18 LYS  H           4.00    (#    123:10  Preassigned    2.10, 2.10 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 304, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HA           18 LYS  H           4.00    (#    124:10  Preassigned    1.97, 1.97 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 505, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HA           18 LYS  H           4.00    (#    125:10  Preassigned    2.02, 2.02 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 260, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  HA           18 LYS  H           4.00    (#    126:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HB+          18 LYS  H           5.00    (#    127:10  Preassigned    3.16, 3.61 A)
# CHANGED TO HB3  ( I MAY HAVE THESE BACKWARDS)
 &rst
  ixpk= 127, nxpk= 10, iat=  263, 282, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   17 TRP  HB-          18 LYS  H           5.00    (#    128:10  Preassigned    3.16, 3.61 A)
# CHANGED TO HB2
 &rst
  ixpk= 128, nxpk= 10, iat=  262, 282, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   18 LYS  QB           18 LYS  H           4.00    (#    129:10  Preassigned    2.51, 2.97 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 286, 287,
 &end
#
#   18 LYS  HG-          18 LYS  H           5.00    (#    130:10  Preassigned    4.25, 4.45 A)
# CHANGED TO HG2
 &rst
  ixpk= 130, nxpk= 10, iat=  289, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   34 ALA  H            18 LYS  H           4.00    (#    131:10  Preassigned    3.14, 3.14 A)
 &rst
  ixpk= 131, nxpk= 10, iat= 519, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  QG1          18 LYS  H           5.00    (#    132:10  Preassigned    2.89, 3.83 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 509, 510, 511,
 &end
#
#   84 ASN  H            95 TRP  H           4.00    (#    141:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1234,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HA           95 TRP  H           4.00    (#    142:10  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 142, nxpk= 10, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 GLN  HA           95 TRP  H           3.00    (#    143:10  Preassigned    2.17, 2.17 A)
 &rst
  ixpk= 143, nxpk= 10, iat=1405,1420, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HA           95 TRP  H           4.00    (#    144:10  Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 144, nxpk= 10, iat=1250,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HB+          95 TRP  H           4.00    (#    145:10  Preassigned    2.40, 2.55 A)
# CHANGED TO HB2
 &rst
  ixpk= 145, nxpk= 10, iat=  1424,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   95 TRP  HB-          95 TRP  H           4.00    (#    146:10  Preassigned    2.40, 2.55 A)
# CHANGED TO HB3
 &rst
  ixpk= 146, nxpk= 10, iat=  1425,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   94 GLN  QG           95 TRP  H           4.00    (#    147:10  Preassigned    4.25, 4.91 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1410,1411,
 &end
#
#   94 GLN  QB           95 TRP  H           4.00    (#    148:10  Preassigned    3.91, 4.29 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1407,1408,
 &end
#
#   86 ILE  HB           95 TRP  H           4.00    (#    150:10  Preassigned    4.26, 4.26 A)
# BIN 4.3
 &rst
  ixpk= 150, nxpk= 10, iat=1271,1420, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   85 ILE  QG2          95 TRP  H           5.00    (#    151:10  Preassigned    5.37, 6.20 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1254,1255,1256,
 &end
#
#   59 MET  H            60 LEU  H           6.00    (#    153:10  Preassigned    4.10, 4.10 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 874, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 MET  HA           60 LEU  H           3.00    (#    154:10  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 876, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 LEU  HA           60 LEU  H           4.00    (#    155:10  Preassigned    2.76, 2.76 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 893, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 ALA  HA           60 LEU  H           5.00    (#    156:10  Preassigned    5.19, 5.19 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 866, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 MET  QG           60 LEU  H           5.00    (#    157:10  Preassigned    4.66, 5.01 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 881, 882,
 &end
#
#   59 MET  HB-          60 LEU  H           4.00    (#    158:10  Preassigned    3.96, 4.29 A)
# CHANGED TO MET59 HB2
 &rst
  ixpk= 158, nxpk= 10, iat=  878, 891, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,
 &end
#
#   60 LEU  HB+          60 LEU  H           3.00    (#    159:10  Preassigned    2.10, 2.70 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 159, nxpk= 10, iat=  895, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   60 LEU  HB-          60 LEU  H           4.00    (#    160:10  Preassigned    2.10, 2.70 A)
# CHANGED TO L60 HB3
 &rst
  ixpk= 160, nxpk= 10, iat=  896, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   58 ALA  QB           60 LEU  H           4.00    (#    161:10  Preassigned    3.97, 4.80 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 868, 869, 870,
 &end
#
#   60 LEU  QD2          60 LEU  H           4.00    (#    162:10  Preassigned    4.59, 5.01 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 904, 905, 906,
 &end
#
#   61 ILE  QD1          60 LEU  H           4.00    (#    163:10  Preassigned    4.46, 5.44 A)
# BIN MEthyl 4.8 to 5.2
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.50,
 igr1= 923, 924, 925,
 &end
#
#   61 ILE  H            60 LEU  H           5.00    (#    165:10  Preassigned    4.74, 4.74 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 910, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ILE  HA           46 ARG  H           4.00    (#    173:10  Preassigned    4.27, 4.27 A)
# BIN 5
 &rst
  ixpk= 173, nxpk= 10, iat=1269, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,  &end
#
#   47 ALA  H            46 ARG  H           4.00    (#    179:10  Preassigned    4.23, 4.23 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 724, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 VAL  H            46 ARG  H           5.00    (#    180:10  Preassigned    4.64, 4.64 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 684, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HA           46 ARG  H           3.00    (#    181:10  Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 686, 700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 ARG  HA           46 ARG  H           4.00    (#    182:10  Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 702, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 VAL  HA           46 ARG  H           4.00    (#    183:10  Preassigned    4.02, 4.02 A)
 &rst
  ixpk= 183, nxpk= 10, iat=1309, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HB+          46 ARG  H           4.00    (#    184:10  Preassigned    2.82, 3.36 A)
# CHANGED TO HB3
 &rst
  ixpk= 184, nxpk= 10, iat=  1291, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HB+          46 ARG  H           5.00    (#    185:10  Preassigned    3.46, 3.74 A)
# CHANGE TO ARG HB3
 &rst
  ixpk= 185, nxpk= 10, iat=  705, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   46 ARG  HB-          46 ARG  H           4.00    (#    186:10  Preassigned    3.46, 3.74 A)
# CHANGE TO ARG HB2
 &rst
  ixpk= 186, nxpk= 10, iat=  704, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HG+          46 ARG  H           4.00    (#    187:10  Preassigned    2.90, 3.27 A)
# CHANGED TO R46 HG2
 &rst
  ixpk= 187, nxpk= 10, iat=  707, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HG-          46 ARG  H           4.00    (#    188:10  Preassigned    2.90, 3.27 A)
# CHANGED TO R46 HG3
 &rst
  ixpk= 188, nxpk= 10, iat=  708, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  QG2          46 ARG  H           3.00    (#    189:10  Preassigned    3.46, 4.34 A)
# BIN METHYL
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 igr1=1273,1274,1275,
 &end
#
#   86 ILE  H            87 TYR  H           4.00    (#    191:10  Preassigned    4.05, 4.05 A)
 &rst
  ixpk= 191, nxpk= 10, iat=1267,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 VAL  H            87 TYR  H           5.00    (#    195:10  Preassigned    4.44, 4.44 A)
 &rst
  ixpk= 195, nxpk= 10, iat=1307,1286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  HA           87 TYR  H           4.00    (#    198:10  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1288,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HA           87 TYR  H           3.00    (#    199:10  Preassigned    1.74, 1.74 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1269,1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 ARG  HG-          87 TYR  H           4.00    (#    200:10  Preassigned    3.61, 3.72 A)
# CHANGED TO R46 HG3
 &rst
  ixpk= 200, nxpk= 10, iat=  708,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  QG2          87 TYR  H           3.00    (#    201:10  Preassigned    2.62, 3.36 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1273,1274,1275,
 &end
#
#   88 VAL  QG2          46 ARG  H           5.00    (#    202:10  Preassigned    4.80, 5.40 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1317,1318,1319,
 &end
#
#   86 ILE  HA           93 HIS  H           5.00    (#    204:10  Preassigned    4.68, 4.68 A)
 &rst
  ixpk= 204, nxpk= 10, iat=1269,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 LYS  HG3          93 HIS  H           4.00    (#    205:10  Preassigned    3.81, 3.81 A)
 &rst
  ixpk= 205, nxpk= 10, iat=1372,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HD2          87 TYR  H           5.00    (#    206:10  Preassigned    2.76, 2.76 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1303,1286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  HB+          87 TYR  H           4.00    (#    207:10  Preassigned    2.36, 2.99 A)
# CHANGED TO HB3
 &rst
  ixpk= 207, nxpk= 10, iat=  1291,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   87 TYR  HB-          87 TYR  H           4.00    (#    208:10  Preassigned    2.36, 2.99 A)
# CHANGED TO HB2
 &rst
  ixpk= 208, nxpk= 10, iat=  1290,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HG+          87 TYR  H           4.00    (#    209:10  Preassigned    3.61, 3.72 A)
# CHANGED TO R46 HG2
 &rst
  ixpk= 209, nxpk= 10, iat=  707,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  H            93 HIS  H           4.00    (#    215:10  Preassigned    2.87, 2.87 A)
 &rst
  ixpk= 215, nxpk= 10, iat=1267,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  H            93 HIS  H           5.00    (#    216:10  Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 216, nxpk= 10, iat=1364,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HZ2          93 HIS  H           6.00    (#    217:10  Preassigned    2.78, 2.78 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 271,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 LYS  HA           93 HIS  H           3.00    (#    218:10  Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 218, nxpk= 10, iat=1366,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 HIS  HA           93 HIS  H           4.00    (#    219:10  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HA           93 HIS  H           5.00    (#    220:10  Preassigned    3.96, 3.96 A)
 &rst
  ixpk= 220, nxpk= 10, iat=1250,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   93 HIS  HB+          93 HIS  H           4.00    (#    221:10  Preassigned    3.03, 3.18 A)
# CHANGED TO HB2
 &rst
  ixpk= 221, nxpk= 10, iat=  1390,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   93 HIS  HB-          93 HIS  H           4.00    (#    222:10  Preassigned    3.03, 3.18 A)
# CHANGED TO HB3
 &rst
  ixpk= 222, nxpk= 10, iat=  1391,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  HB           93 HIS  H           4.00    (#    223:10  Preassigned    3.66, 3.66 A)
 &rst
  ixpk= 223, nxpk= 10, iat=1271,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  HB+          93 HIS  H           4.00    (#    224:10  Preassigned    2.59, 3.17 A)
# CHANGED TO HB3
 &rst
  ixpk= 224, nxpk= 10, iat=  1369,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HB-          93 HIS  H           4.00    (#    225:10  Preassigned    2.59, 3.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 225, nxpk= 10, iat=  1368,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   86 ILE  QG2          93 HIS  H           5.00    (#    226:10  Preassigned    4.40, 5.18 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1273,1274,1275,
 &end
#
#   85 ILE  QG2          93 HIS  H           4.00    (#    227:10  Preassigned    3.71, 4.37 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   18 LYS  H            34 ALA  H           4.00    (#    231:10  Preassigned    3.14, 3.14 A)
 &rst
  ixpk= 231, nxpk= 10, iat= 282, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  QB           34 ALA  H           4.00    (#    234:10  Preassigned    3.31, 3.51 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 286, 287,
 &end
#
#   33 VAL  QG2          34 ALA  H           4.00    (#    235:10  Preassigned    4.09, 4.54 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 513, 514, 515,
 &end
#
#   33 VAL  QG1          34 ALA  H           4.00    (#    236:10  Preassigned    3.29, 4.10 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   16 THR  H            34 ALA  H           4.00    (#    242:10  Preassigned    3.15, 3.15 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 244, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HA           34 ALA  H           3.00    (#    243:10  Preassigned    2.16, 2.16 A)
 &rst
  ixpk= 243, nxpk= 10, iat= 505, 519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HB           34 ALA  H           4.00    (#    245:10  Preassigned    2.48, 2.48 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 507, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ALA  QB           34 ALA  H           3.00    (#    246:10  Preassigned    2.90, 3.43 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 523, 524, 525,
 &end
#
#   76 GLU  H            77 MET  H           5.00    (#    248:10  Preassigned    3.87, 3.87 A)
 &rst
  ixpk= 248, nxpk= 10, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 GLU  HA           77 MET  H           3.00    (#    249:10  Preassigned    2.11, 2.11 A)
 &rst
  ixpk= 249, nxpk= 10, iat=1121,1134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 THR  HB           77 MET  H           4.00    (#    250:10  Preassigned    3.35, 3.35 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 429,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  QG           77 MET  H           4.00    (#    251:10  Preassigned    2.26, 2.39 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1126,1127,
 &end
#
#   77 MET  HG+          77 MET  H           4.00    (#    252:10  Preassigned    2.81, 3.06 A)
# CHANGED TO HG2
 &rst
  ixpk= 252, nxpk= 10, iat=  1141,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HG-          77 MET  H           4.00    (#    253:10  Preassigned    2.81, 3.06 A)
# CHANGED TO HG3
 &rst
  ixpk= 253, nxpk= 10, iat=  1142,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   61 ILE  HG12         77 MET  H           5.00    (#    254:10  Preassigned    3.58, 3.58 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 920,1134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 VAL  HB           77 MET  H           4.00    (#    255:10  Preassigned    3.62, 3.62 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 443,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 VAL  QG1          77 MET  H           4.00    (#    256:10  Preassigned    4.12, 4.72 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   61 ILE  QD1          77 MET  H           5.00    (#    257:10  Preassigned    5.67, 5.95 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 923, 924, 925,
 &end
#
#   75 ILE  QG2          77 MET  H           5.00    (#    258:10  Preassigned    3.94, 4.55 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1106,1107,1108,
 &end
#
#   29 VAL  QG2          77 MET  H           5.00    (#    259:10  Preassigned    4.92, 5.45 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          77 MET  H           5.00    (#    260:10  Preassigned    4.87, 5.48 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 447,
 &end
#
#   95 TRP  H            84 ASN  H           4.00    (#    263:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 263, nxpk= 10, iat=1420,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  H            84 ASN  H           4.00    (#    265:10  Preassigned    4.14, 4.14 A)
 &rst
  ixpk= 265, nxpk= 10, iat=1464,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HD21         84 ASN  H           5.00    (#    266:10  Preassigned    3.89, 3.89 A)
 &rst
  ixpk= 266, nxpk= 10, iat=1243,1234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 ASN  HA           84 ASN  H           4.00    (#    267:10  Preassigned    2.83, 2.83 A)
 &rst
  ixpk= 267, nxpk= 10, iat=1236,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASP  HA           84 ASN  H           3.00    (#    268:10  Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 268, nxpk= 10, iat=1224,1234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASN  HB+          84 ASN  H           4.00    (#    270:10  Preassigned    3.83, 3.95 A)
# CHANGED TO HB2
 &rst
  ixpk= 270, nxpk= 10, iat=  1238,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   83 ASP  QB           84 ASN  H           4.00    (#    271:10  Preassigned    4.09, 4.22 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1226,1227,
 &end
#
#   84 ASN  HB-          84 ASN  H           4.00    (#    272:10  Preassigned    3.83, 3.95 A)
# CHANGED TO HB3
 &rst
  ixpk= 272, nxpk= 10, iat=  1239,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  QD2          84 ASN  H           5.00    (#    273:10  Preassigned    6.20, 7.24 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1181,1182,1183,
 &end
#
#   30 VAL  H            24 SER  H           4.00    (#    274:10  Preassigned    4.00, 4.00 A)
 &rst
  ixpk= 274, nxpk= 10, iat= 455, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 HIS  H            24 SER  H           6.00    (#    275:10  Preassigned    3.13, 3.13 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 396, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 VAL  HA           24 SER  H           4.00    (#    277:10  Preassigned    3.30, 3.30 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 441, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ASP  QB           24 SER  H           4.00    (#    278:10  Preassigned    3.58, 3.90 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 370, 371,
 &end
#
#   22 THR  HG2          24 SER  H           5.00    (#    279:10  Preassigned    5.18, 6.18 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 358, 359, 360,
 &end
#
#   30 VAL  QG2          24 SER  H           4.00    (#    280:10  Preassigned    3.19, 4.31 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 465, 466, 467,
 &end
#
#   28 THR  H            24 SER  H           5.00    (#    283:10  Preassigned    2.77, 2.77 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 425, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA2          24 SER  H           5.00    (#    284:10  Preassigned    4.96, 4.96 A)
 &rst
  ixpk= 284, nxpk= 10, iat= 391, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 SER  HA           24 SER  H           4.00    (#    285:10  Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 380, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  QB           24 SER  H           4.00    (#    286:10  Preassigned    2.44, 2.97 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 382, 383,
 &end
#
#   30 VAL  QG1          24 SER  H           4.00    (#    287:10  Preassigned    3.72, 4.79 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   29 VAL  QG2          24 SER  H           5.00    (#    288:10  Preassigned    4.51, 5.19 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 449, 450, 451,
 &end
#
#   76 GLU  H            29 VAL  H           5.00    (#    292:10  Preassigned    6.03, 6.03 A)
# REMOVED
#&rst
# ixpk= 292, nxpk= 10, iat=1119, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 VAL  H            29 VAL  H           4.00    (#    294:10  Preassigned    4.23, 4.23 A)
 &rst
  ixpk= 294, nxpk= 10, iat= 455, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HA           29 VAL  H           3.00    (#    295:10  Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 VAL  HA           29 VAL  H           4.00    (#    296:10  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 296, nxpk= 10, iat= 441, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HB           29 VAL  H           3.00    (#    297:10  Preassigned    2.59, 2.59 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 429, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 GLU  QG           29 VAL  H           4.00    (#    298:10  Preassigned    2.98, 3.02 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1126,1127,
 &end
#
#   29 VAL  HB           29 VAL  H           3.00    (#    299:10  Preassigned    2.64, 2.64 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 443, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 VAL  QG2          29 VAL  H           4.00    (#    300:10  Preassigned    2.86, 3.57 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          29 VAL  H           5.00    (#    301:10  Preassigned    4.34, 4.56 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 447,
 &end
#
#   12 LYS  H            13 ALA  H           4.00    (#    303:10  Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 303, nxpk= 10, iat= 170, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 LYS  H            13 ALA  H           4.00    (#    304:10  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 304, nxpk= 10, iat= 202, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ALA  HA           13 ALA  H           4.00    (#    306:10  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 306, nxpk= 10, iat= 194, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 ASP  HA           13 ALA  H           5.00    (#    307:10  Preassigned    3.79, 3.79 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 160, 192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 LYS  HA           13 ALA  H           5.00    (#    308:10  Preassigned    3.57, 3.57 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 172, 192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 LYS  QB           13 ALA  H           4.00    (#    309:10  Preassigned    2.61, 3.18 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 174, 175,
 &end
#
#   12 LYS  QG           13 ALA  H           4.00    (#    310:10  Preassigned    4.11, 4.41 A)
# BIN
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 177, 178,
 &end
#
#   13 ALA  QB           13 ALA  H           3.00    (#    311:10  Preassigned    2.51, 2.94 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 196, 197, 198,
 &end
#
#   14 LYS  HG+          13 ALA  H           5.00    (#    312:10  Preassigned    4.45, 5.31 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 209, 210,
 &end
#
#   79 LEU  QD2          78 GLN  H           5.00    (#    315:10  Preassigned    5.40, 5.84 A)
# SD
#&rst
# ixpk= 315, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
#igr1=1181,1182,1183,
#&end
#
#   61 ILE  H            78 GLN  H           4.00    (#    317:10  Preassigned    4.12, 4.12 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 910,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 MET  H            78 GLN  H           4.00    (#    318:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 874,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HA           78 GLN  H           3.00    (#    319:10  Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 319, nxpk= 10, iat=1136,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ALA  HA           78 GLN  H           5.00    (#    320:10  Preassigned    4.35, 4.35 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 866,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 GLN  HG2          78 GLN  H           5.00    (#    321:10  Preassigned    4.31, 4.31 A)
 &rst
  ixpk= 321, nxpk= 10, iat=1158,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 GLN  HB+          78 GLN  H           3.00    (#    322:10  Preassigned    2.51, 2.74 A)
# CHANGED TO HB3
 &rst
  ixpk= 322, nxpk= 10, iat=  1156,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   77 MET  HB+          78 GLN  H           3.00    (#    323:10  Preassigned    2.88, 3.38 A)
# CHANGED TO HB3
# BIN to 4
 &rst
  ixpk= 323, nxpk= 10, iat=  1139,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   77 MET  HB-          78 GLN  H           3.00    (#    324:10  Preassigned    2.88, 3.38 A)
# CHANGED TO HB2
 &rst
  ixpk= 324, nxpk= 10, iat=  1138,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   58 ALA  QB           78 GLN  H           4.00    (#    325:10  Preassigned    4.56, 5.54 A)
# BIN 5
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.20,
 igr1= 868, 869, 870,
 &end
#
#   61 ILE  QD1          78 GLN  H           4.00    (#    326:10  Preassigned    3.41, 3.87 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 923, 924, 925,
 &end
#
#   10 CYS  H            42 ARG  H           5.00    (#    330:10  Preassigned    3.74, 3.74 A)
 &rst
  ixpk= 330, nxpk= 10, iat= 148, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  H            42 ARG  H           5.00    (#    331:10  Preassigned    4.42, 4.42 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 117, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS  HA           42 ARG  H           3.00    (#    332:10  Preassigned    2.06, 2.06 A)
 &rst
  ixpk= 332, nxpk= 10, iat= 619, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 ARG  HA           42 ARG  H           4.00    (#    333:10  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS  HB+          42 ARG  H           4.00    (#    334:10  Preassigned    2.36, 2.95 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 334, nxpk= 10, iat=  621, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    7 TYR  HB+          42 ARG  H           4.00    (#    335:10  Preassigned    2.69, 3.19 A)
# CHANGED TO HB3
 &rst
  ixpk= 335, nxpk= 10, iat=  101, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   41 CYS  HB-          42 ARG  H           4.00    (#    336:10  Preassigned    2.36, 2.95 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 336, nxpk= 10, iat=  622, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   40 PRO  HG+          42 ARG  H           3.00    (#    337:10  Preassigned    4.37, 5.07 A)
#&rst
# ixpk= 337, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
#igr1= 607, 608,
#&end
#
#    7 TYR  HB-          42 ARG  H           5.00    (#    338:10  Preassigned    2.69, 3.19 A)
# CHANGED TO HB2
 &rst
  ixpk= 338, nxpk= 10, iat=  100, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   66 THR  HG2          42 ARG  H           5.00    (#    339:10  Preassigned    3.68, 4.67 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 991, 992, 993,
 &end
#
#   16 THR  H            17 TRP  H           5.00    (#    344:10  Preassigned    4.35, 4.35 A)
 &rst
  ixpk= 344, nxpk= 10, iat= 244, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 THR  HG2          17 TRP  H           4.00    (#    347:10  Preassigned    4.39, 4.92 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 250, 251, 252,
 &end
#
#   58 ALA  QB           57 VAL  H           5.00    (#    349:10  Preassigned    4.93, 5.38 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 868, 869, 870,
 &end
#
#   47 ALA  H            57 VAL  H           4.00    (#    351:10  Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 351, nxpk= 10, iat= 724, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  H            57 VAL  H           5.00    (#    352:10  Preassigned    4.23, 4.23 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 836, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 ALA  H            57 VAL  H           4.00    (#    353:10  Preassigned    2.73, 2.73 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 864, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           57 VAL  H           3.00    (#    354:10  Preassigned    2.10, 2.10 A)
 &rst
  ixpk= 354, nxpk= 10, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 VAL  HA           57 VAL  H           4.00    (#    356:10  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 356, nxpk= 10, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HB+          57 VAL  H           5.00    (#    357:10  Preassigned    4.26, 4.34 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 357, nxpk= 10, iat=  840, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   56 ASP  HB-          57 VAL  H           5.00    (#    358:10  Preassigned    4.26, 4.34 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 358, nxpk= 10, iat=  841, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   57 VAL  HB           57 VAL  H           5.00    (#    359:10  Preassigned    3.57, 3.57 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 852, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 ALA  QB           57 VAL  H           5.00    (#    360:10  Preassigned    3.75, 4.62 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 728, 729, 730,
 &end
#
#   57 VAL  QG1          57 VAL  H           4.00    (#    361:10  Preassigned    2.35, 3.15 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 854, 855, 856,
 &end
#
#   55 VAL  QQG          57 VAL  H           4.00    (#    362:10  Preassigned    4.36, 6.48 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   57 VAL  QG2          57 VAL  H           3.00    (#    363:10  Preassigned    2.43, 3.25 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 858, 859, 860,
 &end
#
#   17 TRP  HD1          17 TRP  H           5.00    (#    368:10  Preassigned    3.08, 3.08 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 266, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HA           17 TRP  H           4.00    (#    369:10  Preassigned    2.77, 2.77 A)
 &rst
  ixpk= 369, nxpk= 10, iat= 260, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  HA           17 TRP  H           3.00    (#    370:10  Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 370, nxpk= 10, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 THR  HB           17 TRP  H           3.00    (#    372:10  Preassigned    2.70, 2.70 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 248, 258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 TRP  HB+          17 TRP  H           4.00    (#    373:10  Preassigned    2.28, 2.90 A)
# CHANGED TO HB3
 &rst
  ixpk= 373, nxpk= 10, iat=  263, 258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   17 TRP  HB-          17 TRP  H           4.00    (#    374:10  Preassigned    2.28, 2.90 A)
# CHANGED TO HB2
 &rst
  ixpk= 374, nxpk= 10, iat=  262, 258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   91 LEU  QD1          17 TRP  H           4.00    (#    375:10  Preassigned    2.86, 3.86 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          17 TRP  H           4.00    (#    376:10  Preassigned    3.22, 3.95 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   74 PHE  H            33 VAL  H           5.00    (#    379:10  Preassigned    3.94, 3.94 A)
 &rst
  ixpk= 379, nxpk= 10, iat=1080, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 GLU  HA           33 VAL  H           3.00    (#    380:10  Preassigned    2.57, 2.57 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 490, 503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HA           33 VAL  H           4.00    (#    381:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 381, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 PHE  HA           33 VAL  H           4.00    (#    382:10  Preassigned    4.00, 4.00 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1082, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 GLY  HA+          33 VAL  H           4.00    (#    384:10  Preassigned    2.28, 2.80 A)
# CHANGED TO HA3
 &rst
  ixpk= 384, nxpk= 10, iat=  1076, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   73 GLY  HA-          33 VAL  H           5.00    (#    385:10  Preassigned    2.28, 2.80 A)
# CHANGED TO HA2
 &rst
  ixpk= 385, nxpk= 10, iat=  1075, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   33 VAL  HB           33 VAL  H           5.00    (#    386:10  Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 386, nxpk= 10, iat= 507, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 GLU  QB           33 VAL  H           4.00    (#    387:10  Preassigned    3.61, 3.68 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 492, 493,
 &end
#
#   32 GLU  HG+          33 VAL  H           4.00    (#    388:10  Preassigned    1.78, 2.16 A)
# CHANGED TO GLU32 HG2
 &rst
  ixpk= 388, nxpk= 10, iat=  495, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   18 LYS  QB           33 VAL  H           5.00    (#    389:10  Preassigned    3.24, 4.09 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 286, 287,
 &end
#
#   33 VAL  QG2          33 VAL  H           3.00    (#    390:10  Preassigned    3.19, 3.63 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 513, 514, 515,
 &end
#
#   33 VAL  QG1          33 VAL  H           4.00    (#    391:10  Preassigned    4.18, 4.67 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   33 VAL  H            32 GLU  H           5.00    (#    399:10  Preassigned    4.31, 4.31 A)
 &rst
  ixpk= 399, nxpk= 10, iat= 503, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 LYS  H            32 GLU  H           5.00    (#    400:10  Preassigned    4.30, 4.30 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 282, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  H            32 GLU  H           4.00    (#    401:10  Preassigned    2.82, 2.82 A)
 &rst
  ixpk= 401, nxpk= 10, iat= 304, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 MET  H            32 GLU  H           6.00    (#    402:10  Preassigned    4.27, 4.27 A)
 &rst
  ixpk= 402, nxpk= 10, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 GLU  HA           32 GLU  H           4.00    (#    403:10  Preassigned    2.80, 2.80 A)
 &rst
  ixpk= 403, nxpk= 10, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ARG  HA           32 GLU  H           5.00    (#    404:10  Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 306, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  HA           32 GLU  H           3.00    (#    405:10  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 473, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 PRO  HA           32 GLU  H           5.00    (#    406:10  Preassigned    5.02, 5.02 A)
 &rst
  ixpk= 406, nxpk= 10, iat= 348, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  HG+          32 GLU  H           5.00    (#    407:10  Preassigned    3.80, 4.11 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 407, nxpk= 10, iat=  478, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   31 MET  HB+          32 GLU  H           4.00    (#    408:10  Preassigned    2.66, 3.22 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 408, nxpk= 10, iat=  475, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   31 MET  HG-          32 GLU  H           4.00    (#    409:10  Preassigned    3.80, 4.11 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 409, nxpk= 10, iat=  479, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HB-          32 GLU  H           4.00    (#    410:10  Preassigned    2.55, 3.28 A)
# CHANGED TO ARG HB2
 &rst
  ixpk= 410, nxpk= 10, iat=  308, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   31 MET  HB-          32 GLU  H           4.00    (#    411:10  Preassigned    2.66, 3.22 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 411, nxpk= 10, iat=  476, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   18 LYS  QB           32 GLU  H           5.00    (#    412:10  Preassigned    5.16, 5.94 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 286, 287,
 &end
#
#   21 PRO  HD+          32 GLU  H           5.00    (#    413:10  Preassigned    5.22, 5.91 A)
# REMOVED
#&rst
# ixpk= 413, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
#igr1= 339, 340,
#&end
#
#   33 VAL  QG1          32 GLU  H           5.00    (#    414:10  Preassigned    3.91, 4.80 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 509, 510, 511,
 &end
#
#   24 SER  H            27 ASP  H           5.00    (#    419:10  Preassigned    4.36, 4.36 A)
 &rst
  ixpk= 419, nxpk= 10, iat= 378, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 HIS  H            27 ASP  H           4.00    (#    420:10  Preassigned    2.15, 2.15 A)
 &rst
  ixpk= 420, nxpk= 10, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  H            27 ASP  H           4.00    (#    421:10  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 425, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 HIS  HA           27 ASP  H           4.00    (#    422:10  Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ASP  HA           27 ASP  H           3.00    (#    424:10  Preassigned    2.17, 2.17 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ASP  HB2          27 ASP  H           4.00    (#    425:10  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 417, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ASP  HB3          27 ASP  H           4.00    (#    426:10  Preassigned    3.91, 3.91 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 418, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HH2          98 LYS  H           5.00    (#    440:10  Preassigned    5.36, 5.36 A)
 &rst
  ixpk= 440, nxpk= 10, iat=1435,1481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 GLN  HA           98 LYS  H           3.00    (#    442:10  Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 442, nxpk= 10, iat=1466,1481, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 LYS  HA           98 LYS  H           4.00    (#    443:10  Preassigned    2.74, 2.74 A)
 &rst
  ixpk= 443, nxpk= 10, iat=1483,1481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HB+          98 LYS  H           6.00    (#    444:10  Preassigned    4.44, 4.51 A)
# CHANGED TO HB2
 &rst
  ixpk= 444, nxpk= 10, iat=  1468,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   98 LYS  QB           98 LYS  H           4.00    (#    445:10  Preassigned    2.85, 3.19 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,1481, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1485,1486,
 &end
#
#   97 GLN  HB-          98 LYS  H           5.00    (#    446:10  Preassigned    4.44, 4.51 A)
# CHANGED TO HB3
 &rst
  ixpk= 446, nxpk= 10, iat=  1469,1481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   98 LYS  HG-          98 LYS  H           4.00    (#    447:10  Preassigned    3.97, 4.18 A)
# CHANGED TO HG3
# BIN 4.5
 &rst
  ixpk= 447, nxpk= 10, iat=  1489,1481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.70,
 &end
#
#   97 GLN  HE22         98 LYS  H           5.00    (#    448:10  Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 448, nxpk= 10, iat=1477,1481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 GLY  HA+          97 GLN  H           5.00    (#    451:10  Preassigned    4.06, 4.45 A)
# CHANGED TO HA2
 &rst
  ixpk= 451, nxpk= 10, iat=  1217,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   84 ASN  HD22         97 GLN  H           5.00    (#    454:10  Preassigned    3.64, 3.64 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1244,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 PHE  HB-          97 GLN  H           5.00    (#    455:10  Preassigned    3.33, 3.62 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1448,1449,
 &end
#
#   84 ASN  HD21         97 GLN  H           5.00    (#    456:10  Preassigned    3.40, 3.40 A)
 &rst
  ixpk= 456, nxpk= 10, iat=1243,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 GLY  HA-          97 GLN  H           5.00    (#    457:10  Preassigned    4.06, 4.45 A)
# CHANGED TO HA3
 &rst
  ixpk= 457, nxpk= 10, iat=  1218,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   82 GLY  H            97 GLN  H           4.00    (#    460:10  Preassigned    2.76, 2.76 A)
 &rst
  ixpk= 460, nxpk= 10, iat=1215,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           97 GLN  H           4.00    (#    462:10  Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 462, nxpk= 10, iat=1466,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 PRO  HA           97 GLN  H           5.00    (#    463:10  Preassigned    3.90, 3.90 A)
 &rst
  ixpk= 463, nxpk= 10, iat=1211,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 PHE  HB+          97 GLN  H           5.00    (#    464:10  Preassigned    3.33, 3.62 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1448,1449,
 &end
#
#   97 GLN  QG           97 GLN  H           4.00    (#    465:10  Preassigned    4.41, 4.56 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   97 GLN  HB+          97 GLN  H           5.00    (#    466:10  Preassigned    2.37, 2.53 A)
# CHANGED TO HB2
 &rst
  ixpk= 466, nxpk= 10, iat=  1468,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   97 GLN  HB-          97 GLN  H           4.00    (#    467:10  Preassigned    2.37, 2.53 A)
# CHANGED TO HB3
 &rst
  ixpk= 467, nxpk= 10, iat=  1469,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HA           20 ALA  H           3.00    (#    477:10  Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 ALA  HA           20 ALA  H           4.00    (#    478:10  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 330, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HB-          20 ALA  H           5.00    (#    479:10  Preassigned    3.20, 3.81 A)
# CHANGED TO HB2
 &rst
  ixpk= 479, nxpk= 10, iat=  262, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   19 ARG  HB+          20 ALA  H           4.00    (#    480:10  Preassigned    3.30, 3.70 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 480, nxpk= 10, iat=  309, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HD+          20 ALA  H           6.00    (#    481:10  Preassigned    5.11, 5.21 A)
#REMOVED
#&rst
# ixpk= 481, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
#igr1= 339, 340,
#&end
#
#   20 ALA  QB           20 ALA  H           3.00    (#    482:10  Preassigned    2.62, 3.04 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 332, 333, 334,
 &end
#
#   66 THR  HA           43 ILE  H           4.00    (#    489:10  Preassigned    2.71, 2.71 A)
 &rst
  ixpk= 489, nxpk= 10, iat= 987, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 ARG  HA           43 ILE  H           3.00    (#    490:10  Preassigned    2.13, 2.13 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 629, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 ILE  QG2          43 ILE  H           5.00    (#    491:10  Preassigned    4.53, 4.58 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 657, 658, 659,
 &end
#
#   43 ILE  HA           43 ILE  H           5.00    (#    500:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 500, nxpk= 10, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 THR  HG2          43 ILE  H           4.00    (#    501:10  Preassigned    3.85, 4.45 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   42 ARG  QD           43 ILE  H           5.00    (#    503:10  Preassigned    4.38, 4.58 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 637, 638,
 &end
#
#   42 ARG  QB           43 ILE  H           4.00    (#    504:10  Preassigned    3.74, 4.00 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 631, 632,
 &end
#
#   43 ILE  HB           43 ILE  H           3.00    (#    505:10  Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 505, nxpk= 10, iat= 655, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 VAL  H            56 ASP  H           6.00    (#    512:10  Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 512, nxpk= 10, iat= 820, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 ASP  HA           56 ASP  H           4.00    (#    513:10  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 838, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 VAL  HA           56 ASP  H           3.00    (#    515:10  Preassigned    1.88, 1.88 A)
 &rst
  ixpk= 515, nxpk= 10, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HB+          56 ASP  H           4.00    (#    516:10  Preassigned    2.53, 2.70 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 516, nxpk= 10, iat=  840, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   56 ASP  HB-          56 ASP  H           4.00    (#    517:10  Preassigned    2.53, 2.70 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 517, nxpk= 10, iat=  841, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   55 VAL  HB           56 ASP  H           5.00    (#    518:10  Preassigned    4.43, 4.43 A)
 &rst
  ixpk= 518, nxpk= 10, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 VAL  QQG          56 ASP  H           3.00    (#    519:10  Preassigned    3.24, 4.40 A)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   60 LEU  HB+          61 ILE  H           4.00    (#    534:10  Preassigned    3.33, 3.93 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 534, nxpk= 10, iat=  895, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   38 THR  HA           39 LYS  H           3.00    (#    538:10  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 538, nxpk= 10, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 LYS  HB+          39 LYS  H           4.00    (#    539:10  Preassigned    3.30, 3.61 A)
# CHANGED TO LYS39 HB2
 &rst
  ixpk= 539, nxpk= 10, iat=  585, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   39 LYS  HB-          39 LYS  H           4.00    (#    540:10  Preassigned    3.30, 3.61 A)
# CHANGED TO LYS39 HB3
 &rst
  ixpk= 540, nxpk= 10, iat=  586, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   38 THR  HG2          39 LYS  H           4.00    (#    541:10  Preassigned    1.96, 2.93 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 573, 574, 575,
 &end
#
#   78 GLN  H            61 ILE  H           5.00    (#    545:10  Preassigned    4.12, 4.12 A)
 &rst
  ixpk= 545, nxpk= 10, iat=1151, 910, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 THR  H            61 ILE  H           4.00    (#    547:10  Preassigned    1.80, 1.80 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 929, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HA           61 ILE  H           4.00    (#    548:10  Preassigned    2.20, 2.20 A)
 &rst
  ixpk= 548, nxpk= 10, iat=1136, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  HA           61 ILE  H           3.00    (#    549:10  Preassigned    2.38, 2.38 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 893, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  HA           61 ILE  H           4.00    (#    550:10  Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 550, nxpk= 10, iat= 912, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HB+          61 ILE  H           4.00    (#    551:10  Preassigned    3.45, 3.99 A)
# CHANGED TO HB3
 &rst
  ixpk= 551, nxpk= 10, iat=  1139, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   61 ILE  HB           61 ILE  H           3.00    (#    552:10  Preassigned    2.06, 2.06 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 914, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  HG12         61 ILE  H           4.00    (#    553:10  Preassigned    2.42, 2.42 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 920, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 ILE  QG2          61 ILE  H           4.00    (#    554:10  Preassigned    4.18, 4.38 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 916, 917, 918,
 &end
#
#   61 ILE  QD1          61 ILE  H           4.00    (#    555:10  Preassigned    3.27, 3.97 A)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 923, 924, 925,
 &end
#
#   75 ILE  H            76 GLU  H           4.00    (#    556:10  Preassigned    4.33, 4.33 A)
# BIN 4.4
 &rst
  ixpk= 556, nxpk= 10, iat=1100,1119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,  &end
#
#   61 ILE  QG2          76 GLU  H           5.00    (#    557:10  Preassigned    5.67, 6.39 A)
#&rst
# ixpk= 557, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
#igr1= 916, 917, 918,
#&end
#
#   62 THR  H            76 GLU  H           4.00    (#    559:10  Preassigned    3.55, 3.55 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 929,1119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  HA           76 GLU  H           4.00    (#    560:10  Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 560, nxpk= 10, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ILE  HA           76 GLU  H           3.00    (#    562:10  Preassigned    2.21, 2.21 A)
 &rst
  ixpk= 562, nxpk= 10, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 GLU  QG           76 GLU  H           5.00    (#    563:10  Preassigned    4.65, 4.65 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1126,1127,
 &end
#
#   76 GLU  QB           76 GLU  H           4.00    (#    564:10  Preassigned    3.21, 3.29 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   61 ILE  HB           76 GLU  H           4.00    (#    565:10  Preassigned    4.28, 4.28 A)
# BIN 4.5
 &rst
  ixpk= 565, nxpk= 10, iat= 914,1119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.70,  &end
#
#   62 THR  HG2          76 GLU  H           4.00    (#    566:10  Preassigned    2.04, 2.79 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 936, 937,
 &end
#
#   75 ILE  HB           76 GLU  H           5.00    (#    567:10  Preassigned    3.96, 3.96 A)
 &rst
  ixpk= 567, nxpk= 10, iat=1104,1119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ILE  QG2          76 GLU  H           4.00    (#    569:10  Preassigned    2.28, 2.97 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1106,1107,1108,
 &end
#
#   32 GLU  HA           76 GLU  H           5.00    (#    571:10  Preassigned    7.38, 7.38 A)
# REMOVED
#&rst
# ixpk= 571, nxpk= 10, iat= 490,1119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 LYS  QG           90 GLU  H           5.00    (#    576:10  Preassigned    4.27, 4.77 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 177, 178,
 &end
#
#   91 LEU  QB           90 GLU  H           5.00    (#    577:10  Preassigned    3.41, 3.77 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1349,1350,
 &end
#
#   91 LEU  H            90 GLU  H           4.00    (#    583:10  Preassigned    2.01, 2.01 A)
 &rst
  ixpk= 583, nxpk= 10, iat=1345,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 GLU  HA           90 GLU  H           4.00    (#    585:10  Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 585, nxpk= 10, iat=1332,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 GLY  HA3          90 GLU  H           3.00    (#    586:10  Preassigned    1.81, 1.81 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          90 GLU  H           4.00    (#    587:10  Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 587, nxpk= 10, iat=1325,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 GLU  HB-          90 GLU  H           4.00    (#    589:10  Preassigned    3.08, 3.10 A)
# CHANGED TO HB2
 &rst
  ixpk= 589, nxpk= 10, iat=  1334,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   12 LYS  QD           90 GLU  H           5.00    (#    590:10  Unique         3.89, 4.64 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 180, 181,
 &end
#
#   88 VAL  H            90 GLU  H           5.00    (#    591:10  Preassigned    4.70, 4.70 A)
 &rst
  ixpk= 591, nxpk= 10, iat=1307,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 GLY  H            90 GLU  H           5.00    (#    592:10  Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 592, nxpk= 10, iat=1323,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 GLN  HB-          79 LEU  H           4.00    (#    595:10  Preassigned    3.67, 3.71 A)
# CHANGED TO HB2
 &rst
  ixpk= 595, nxpk= 10, iat=  1155,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  QD1          79 LEU  H           4.00    (#    596:10  Preassigned    4.06, 4.66 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1177,1178,1179,
 &end
#
#   78 GLN  H            79 LEU  H           6.00    (#    601:10  Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 601, nxpk= 10, iat=1151,1168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 GLN  HA           79 LEU  H           3.00    (#    603:10  Preassigned    2.18, 2.18 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 GLN  HG2          79 LEU  H           4.00    (#    604:10  Preassigned    2.47, 2.47 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1158,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 GLN  HB+          79 LEU  H           4.00    (#    605:10  Preassigned    3.67, 3.71 A)
# CHANGED TO HB3
 &rst
  ixpk= 605, nxpk= 10, iat=  1156,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          79 LEU  H           4.00    (#    606:10  Preassigned    2.30, 2.91 A)
# CHANGED TO HB2
 &rst
  ixpk= 606, nxpk= 10, iat=  1172,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB-          79 LEU  H           4.00    (#    607:10  Preassigned    2.30, 2.91 A)
# CHANGED TO HB3
 &rst
  ixpk= 607, nxpk= 10, iat=  1173,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HG           79 LEU  H           4.00    (#    608:10  Preassigned    3.12, 3.12 A)
 &rst
  ixpk= 608, nxpk= 10, iat=1175,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 LEU  QD2          79 LEU  H           4.00    (#    609:10  Preassigned    4.54, 5.00 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1181,1182,1183,
 &end
#
#   29 VAL  QG2          79 LEU  H           5.00    (#    610:10  Preassigned    4.44, 4.98 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 449, 450, 451,
 &end
#
#   57 VAL  H            58 ALA  H           3.00    (#    616:10  Preassigned    2.73, 2.73 A)
 &rst
  ixpk= 616, nxpk= 10, iat= 848, 864, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  H            58 ALA  H           4.00    (#    617:10  Preassigned    2.73, 2.73 A)
 &rst
  ixpk= 617, nxpk= 10, iat= 724, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 MET  H            58 ALA  H           5.00    (#    619:10  Preassigned    4.33, 4.33 A)
 &rst
  ixpk= 619, nxpk= 10, iat= 874, 864, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HA           58 ALA  H           4.00    (#    620:10  Preassigned    3.88, 3.88 A)
 &rst
  ixpk= 620, nxpk= 10, iat= 838, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 ARG  HA           58 ALA  H           4.00    (#    621:10  Preassigned    4.27, 4.27 A)
 &rst
  ixpk= 621, nxpk= 10, iat= 702, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 VAL  HA           58 ALA  H           4.00    (#    622:10  Preassigned    3.61, 3.61 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 ALA  HA           58 ALA  H           4.00    (#    623:10  Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 623, nxpk= 10, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 VAL  HB           58 ALA  H           6.00    (#    624:10  Preassigned    4.33, 4.33 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 852, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 ALA  QB           58 ALA  H           3.00    (#    625:10  Preassigned    2.37, 2.78 A)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
#
#   47 ALA  QB           58 ALA  H           4.00    (#    626:10  Preassigned    2.48, 3.53 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 728, 729, 730,
 &end
#
#   57 VAL  QG1          58 ALA  H           4.00    (#    627:10  Preassigned    4.78, 5.29 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1= 854, 855, 856,
 &end
#
#   79 LEU  QD1          58 ALA  H           5.00    (#    628:10  Preassigned    5.62, 6.34 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1177,1178,1179,
 &end
#
#   57 VAL  QG2          58 ALA  H           4.00    (#    629:10  Preassigned    3.54, 4.02 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   13 ALA  H            12 LYS  H           5.00    (#    644:10  Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 644, nxpk= 10, iat= 192, 170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 ASP  HA           12 LYS  H           3.00    (#    646:10  Preassigned    2.03, 2.03 A)
 &rst
  ixpk= 646, nxpk= 10, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 LYS  HA           12 LYS  H           4.00    (#    647:10  Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 647, nxpk= 10, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 ASP  HB+          12 LYS  H           4.00    (#    648:10  Preassigned    4.09, 4.15 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   12 LYS  QB           12 LYS  H           4.00    (#    649:10  Preassigned    2.54, 3.04 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 174, 175,
 &end
#
#   12 LYS  QD           12 LYS  H           4.00    (#    650:10  Preassigned    4.45, 4.51 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 180, 181,
 &end
#
#   12 LYS  QG           12 LYS  H           3.00    (#    651:10  Preassigned    2.20, 2.48 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 177, 178,
 &end
#
#   90 GLU  H            91 LEU  H           4.00    (#    653:10  Preassigned    2.01, 2.01 A)
 &rst
  ixpk= 653, nxpk= 10, iat=1330,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  HA           91 LEU  H           5.00    (#    654:10  Preassigned    4.83, 4.83 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1366,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 GLU  QG           91 LEU  H           5.00    (#    655:10  Preassigned    5.08, 5.56 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1337,1338,
 &end
#
#   95 TRP  HH2          23 ASP  H           4.00    (#    661:10  Preassigned    2.79, 2.79 A)
 &rst
  ixpk= 661, nxpk= 10, iat=1435, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  HA           23 ASP  H           3.00    (#    664:10  Preassigned    2.25, 2.25 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           23 ASP  H           4.00    (#    666:10  Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 666, nxpk= 10, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ASP  QB           23 ASP  H           3.00    (#    667:10  Preassigned    2.55, 2.76 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 370, 371,
 &end
#
#   22 THR  HG2          23 ASP  H           4.00    (#    668:10  Preassigned    3.37, 4.09 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 358, 359, 360,
 &end
#
#   15 PHE  HB2          91 LEU  H           5.00    (#    669:10  Preassigned    3.87, 3.87 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 228,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 GLU  HA           91 LEU  H           4.00    (#    671:10  Preassigned    3.44, 3.44 A)
 &rst
  ixpk= 671, nxpk= 10, iat=1332,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  HA           91 LEU  H           4.00    (#    672:10  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 672, nxpk= 10, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 GLY  HA2          91 LEU  H           5.00    (#    673:10  Preassigned    4.40, 4.40 A)
 &rst
  ixpk= 673, nxpk= 10, iat=1325,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 GLU  HB+          91 LEU  H           5.00    (#    674:10  Preassigned    4.17, 4.40 A)
# CHANGED TO HB3
 &rst
  ixpk= 674, nxpk= 10, iat=  1335,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   90 GLU  HB-          91 LEU  H           4.00    (#    675:10  Preassigned    4.17, 4.40 A)
# CHANGED TO HB2
 &rst
  ixpk= 675, nxpk= 10, iat=  1334,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   91 LEU  QB           91 LEU  H           3.00    (#    676:10  Preassigned    1.75, 2.23 A)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1349,1350,
 &end
#
#   91 LEU  HG           91 LEU  H           4.00    (#    677:10  Preassigned    3.53, 3.53 A)
 &rst
  ixpk= 677, nxpk= 10, iat=1352,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  QD1          91 LEU  H           4.00    (#    678:10  Preassigned    4.71, 5.00 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          91 LEU  H           4.00    (#    679:10  Preassigned    3.79, 4.49 A)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   88 VAL  HA           88 VAL  H           4.00    (#    686:10  Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 686, nxpk= 10, iat=1309,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  H            88 VAL  H           4.00    (#    687:10  Preassigned    3.46, 3.46 A)
 &rst
  ixpk= 687, nxpk= 10, iat=1345,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  QB           88 VAL  H           4.00    (#    688:10  Preassigned    3.62, 4.42 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1349,1350,
 &end
#
#    8 THR  HA            9 MET  H           4.00    (#    689:10  Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 THR  HG2           9 MET  H           5.00    (#    690:10  Preassigned    3.92, 4.45 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 123, 124, 125,
 &end
#
#    8 THR  HB            9 MET  H           5.00    (#    693:10  Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 121, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 MET  HG+           9 MET  H           5.00    (#    694:10  Preassigned    2.09, 2.81 A)
# CHANGED TO HG2
 &rst
  ixpk= 694, nxpk= 10, iat=  138, 131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#    9 MET  QB            9 MET  H           4.00    (#    695:10  Preassigned    2.54, 3.06 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#   88 VAL  QG1          88 VAL  H           5.00    (#    697:10  Preassigned    3.71, 4.17 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1313,1314,1315,
 &end
#
#   87 TYR  HA           88 VAL  H           3.00    (#    699:10  Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 699, nxpk= 10, iat=1288,1307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 VAL  HB           88 VAL  H           4.00    (#    700:10  Preassigned    2.30, 2.30 A)
 &rst
  ixpk= 700, nxpk= 10, iat=1311,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 VAL  QG2          88 VAL  H           4.00    (#    701:10  Preassigned    3.34, 3.88 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1317,1318,1319,
 &end
#
#   83 ASP  QB           50 HIS  H           4.00    (#    716:10  Preassigned    3.73, 4.57 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1226,1227,
 &end
#
#   84 ASN  HA           50 HIS  H           4.00    (#    717:10  Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 717, nxpk= 10, iat=1236, 760, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 ALA  HA           50 HIS  H           3.00    (#    726:10  Preassigned    1.88, 1.88 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 752, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 HIS  HA           50 HIS  H           4.00    (#    728:10  Preassigned    2.34, 2.34 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 762, 760, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 HIS  HB-          50 HIS  H           3.00    (#    729:10  Preassigned    2.58, 2.92 A)
# CHANGED TO H50 HB2
 &rst
  ixpk= 729, nxpk= 10, iat=  764, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   49 ALA  QB           50 HIS  H           4.00    (#    730:10  Preassigned    2.71, 3.39 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 754, 755, 756,
 &end
#
#   92 LYS  HA           92 LYS  H           4.00    (#    742:10  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 742, nxpk= 10, iat=1366,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  HA           92 LYS  H           3.00    (#    743:10  Preassigned    1.98, 1.98 A)
 &rst
  ixpk= 743, nxpk= 10, iat=1347,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 LYS  HB+          92 LYS  H           4.00    (#    744:10  Preassigned    3.24, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 744, nxpk= 10, iat=  1369,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.59,
 &end
#
#   92 LYS  HB-          92 LYS  H           4.00    (#    745:10  Preassigned    3.24, 3.60 A)
# CHANGED TO HB2
 &rst
  ixpk= 745, nxpk= 10, iat=  1368,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HG2          92 LYS  H           4.00    (#    746:10  Preassigned    2.57, 2.57 A)
 &rst
  ixpk= 746, nxpk= 10, iat=1371,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  QD1          92 LYS  H           4.00    (#    747:10  Preassigned    2.30, 3.36 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          92 LYS  H           4.00    (#    748:10  Preassigned    4.65, 4.88 A)
# BIN 5
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.40,
 igr1=1358,1359,1360,
 &end
#
#   67 MET  HA           68 GLU  H           3.00    (#    752:10  Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 752, nxpk= 10, iat=1001,1016, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 GLU  HG+          68 GLU  H           4.00    (#    754:10  Preassigned    3.19, 3.80 A)
# CHANGED TO HG3
 &rst
  ixpk= 754, nxpk= 10, iat=  1024,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   68 GLU  HG-          68 GLU  H           4.00    (#    755:10  Preassigned    3.19, 3.80 A)
# CHANGED TO HG2
 &rst
  ixpk= 755, nxpk= 10, iat= 1023,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   67 MET  HB3          68 GLU  H           4.00    (#    756:10  Preassigned    3.64, 3.64 A)
 &rst
  ixpk= 756, nxpk= 10, iat=1004,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 GLU  QB           68 GLU  H           4.00    (#    757:10  Preassigned    2.55, 3.13 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1020,1021,
 &end
#
#   46 ARG  HD2          47 ALA  H           5.00    (#    759:10  Preassigned    4.98, 4.98 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 710, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 VAL  H            47 ALA  H           5.00    (#    760:10  Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 848, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 VAL  H            47 ALA  H           5.00    (#    761:10  Preassigned    4.30, 4.30 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 734, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 ALA  H            47 ALA  H           4.00    (#    763:10  Preassigned    2.73, 2.73 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 864, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  HA           47 ALA  H           4.00    (#    764:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           47 ALA  H           4.00    (#    765:10  Preassigned    3.42, 3.42 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 838, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 ARG  HA           47 ALA  H           3.00    (#    766:10  Preassigned    2.38, 2.38 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 702, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HB-          47 ALA  H           6.00    (#    767:10  Preassigned    4.24, 4.63 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 767, nxpk= 10, iat=  841, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   46 ARG  HB+          47 ALA  H           4.00    (#    768:10  Preassigned    2.62, 3.34 A)
# CHANGE TO ARG HB3
 &rst
  ixpk= 768, nxpk= 10, iat=  705, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HB-          47 ALA  H           3.00    (#    769:10  Preassigned    2.62, 3.34 A)
# CHANGE TO ARG HB2
 &rst
  ixpk= 769, nxpk= 10, iat=  704, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   58 ALA  QB           47 ALA  H           4.00    (#    770:10  Preassigned    3.01, 3.59 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 868, 869, 870,
 &end
#
#   47 ALA  QB           47 ALA  H           3.00    (#    771:10  Preassigned    2.71, 3.20 A)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG1          47 ALA  H           4.00    (#    772:10  Preassigned    4.13, 4.63 A)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 740, 741, 742,
 &end
#
#    0 AMB  10-2:773     47 ALA  H           5.00    (#    773:10  Single Ambig)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1277,1278,1273,1274,1275,
 &end
#
#   57 VAL  QG2          47 ALA  H           5.00    (#    774:10  Preassigned    4.50, 5.30 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 858, 859, 860,
 &end
#
#   82 GLY  HA+          83 ASP  H           3.00    (#    788:10  Preassigned    2.05, 2.68 A)
# CHANGED TO HA2
 &rst
  ixpk= 788, nxpk= 10, iat=  1217,1222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   82 GLY  HA-          83 ASP  H           4.00    (#    789:10  Preassigned    2.05, 2.68 A)
# CHANGED TO HA3
 &rst
  ixpk= 789, nxpk= 10, iat=  1218,1222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   83 ASP  QB           83 ASP  H           3.00    (#    790:10  Preassigned    2.60, 3.04 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1226,1227,
 &end
#
#   17 TRP  HA           19 ARG  H           4.00    (#    792:10  Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 792, nxpk= 10, iat= 260, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 GLU  H            19 ARG  H           4.00    (#    797:10  Preassigned    2.82, 2.82 A)
 &rst
  ixpk= 797, nxpk= 10, iat= 488, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  H            19 ARG  H           3.00    (#    798:10  Preassigned    2.10, 2.10 A)
 &rst
  ixpk= 798, nxpk= 10, iat= 282, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HA           19 ARG  H           4.00    (#    800:10  Preassigned    3.30, 3.30 A)
 &rst
  ixpk= 800, nxpk= 10, iat= 505, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ARG  HA           19 ARG  H           4.00    (#    801:10  Preassigned    2.88, 2.88 A)
 &rst
  ixpk= 801, nxpk= 10, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HB-          19 ARG  H           5.00    (#    802:10  Preassigned    3.63, 4.34 A)
# CHANGED TO HB2
 &rst
  ixpk= 802, nxpk= 10, iat=  262, 304, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   32 GLU  QB           19 ARG  H           4.00    (#    803:10  Preassigned    2.95, 3.68 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 492, 493,
 &end
#
#   32 GLU  HG+          19 ARG  H           4.00    (#    804:10  Preassigned    4.08, 4.61 A)
# CHANGED TO GLU32 HG2
 &rst
  ixpk= 804, nxpk= 10, iat=  495, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HB+          19 ARG  H           4.00    (#    805:10  Preassigned    3.27, 3.70 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 805, nxpk= 10, iat=  309, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HB-          19 ARG  H           3.00    (#    806:10  Preassigned    3.27, 3.70 A)
# CHANGED TO ARG HB2
 &rst
  ixpk= 806, nxpk= 10, iat=  308, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   18 LYS  QB           19 ARG  H           3.00    (#    807:10  Preassigned    2.96, 3.57 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 286, 287,
 &end
#
#   18 LYS  HG-          19 ARG  H           4.00    (#    808:10  Preassigned    3.54, 3.83 A)
# CHANGED TO HG2
# BIN 4.3
 &rst
  ixpk= 808, nxpk= 10, iat=  289, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,
 &end
#
#   33 VAL  QG1          19 ARG  H           5.00    (#    809:10  Preassigned    4.26, 4.84 A)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 509, 510, 511,
 &end
#
#   35 PHE  HB+          35 PHE  H           4.00    (#    810:10  Preassigned    2.24, 2.34 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 810, nxpk= 10, iat=  533, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   67 MET  QG           35 PHE  H           4.00    (#    811:10  Preassigned    3.25, 3.82 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1006,1007,
 &end
#
#   41 CYS  H            67 MET  H           4.00    (#    814:10  Preassigned    3.23, 3.23 A)
 &rst
  ixpk= 814, nxpk= 10, iat= 617, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 MET  HB3          67 MET  H           4.00    (#    815:10  Preassigned    3.24, 3.24 A)
 &rst
  ixpk= 815, nxpk= 10, iat=1004, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 ALA  H            19 ARG  H           4.00    (#    816:10  Preassigned    3.92, 3.92 A)
 &rst
  ixpk= 816, nxpk= 10, iat= 328, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 PHE  HA           35 PHE  H           4.00    (#    818:10  Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 818, nxpk= 10, iat= 531, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 PHE  HB-          35 PHE  H           4.00    (#    820:10  Preassigned    2.24, 2.34 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 820, nxpk= 10, iat=  534, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   34 ALA  QB           35 PHE  H           4.00    (#    821:10  Preassigned    3.43, 3.95 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 523, 524, 525,
 &end
#
#   43 ILE  QD1          67 MET  H           5.00    (#    824:10  Preassigned    3.11, 3.86 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 664, 665, 666,
 &end
#
#   66 THR  HA           67 MET  H           3.00    (#    826:10  Preassigned    1.96, 1.96 A)
 &rst
  ixpk= 826, nxpk= 10, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 ARG  HA           67 MET  H           4.00    (#    827:10  Preassigned    3.14, 3.14 A)
 &rst
  ixpk= 827, nxpk= 10, iat= 629, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 THR  HB           67 MET  H           4.00    (#    828:10  Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 828, nxpk= 10, iat= 989, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 MET  QG           67 MET  H           4.00    (#    829:10  Preassigned    3.65, 3.92 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1006,1007,
 &end
#
#   66 THR  HG2          67 MET  H           4.00    (#    830:10  Preassigned    3.74, 4.31 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   15 PHE  HD2          15 PHE  H           4.00    (#    840:10  Preassigned    3.07, 3.07 A)
 &rst
  ixpk= 840, nxpk= 10, iat= 240, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 LYS  H            15 PHE  H           4.00    (#    841:10  Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 841, nxpk= 10, iat= 202, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HA           15 PHE  H           4.00    (#    842:10  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 842, nxpk= 10, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 LYS  HA           15 PHE  H           4.00    (#    843:10  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 843, nxpk= 10, iat= 204, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HB2          15 PHE  H           4.00    (#    844:10  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 844, nxpk= 10, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HB3          15 PHE  H           4.00    (#    845:10  Preassigned    3.79, 3.79 A)
 &rst
  ixpk= 845, nxpk= 10, iat= 229, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  QB           15 PHE  H           4.00    (#    846:10  Preassigned    3.95, 4.18 A)
# BIN
 &rst
  ixpk= 846, nxpk= 10, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1349,1350,
 &end
#
#   14 LYS  HB-          15 PHE  H           4.00    (#    847:10  Preassigned    4.32, 4.49 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 847, nxpk= 10, iat=  206, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   66 THR  HA           66 THR  H           5.00    (#    853:10  Preassigned    2.99, 2.99 A)
 &rst
  ixpk= 853, nxpk= 10, iat= 987, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  H            30 VAL  H           5.00    (#    856:10  Preassigned    4.46, 4.46 A)
 &rst
  ixpk= 856, nxpk= 10, iat= 471, 455, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 VAL  HA           30 VAL  H           5.00    (#    857:10  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 857, nxpk= 10, iat= 457, 455, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 PRO  HA           66 THR  H           3.00    (#    859:10  Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 859, nxpk= 10, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 VAL  HA           30 VAL  H           3.00    (#    860:10  Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 860, nxpk= 10, iat= 441, 455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 THR  HB           66 THR  H           4.00    (#    861:10  Preassigned    3.74, 3.74 A)
 &rst
  ixpk= 861, nxpk= 10, iat= 989, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 PRO  QB           66 THR  H           4.00    (#    862:10  Preassigned    3.42, 3.52 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 978, 979,
 &end
#
#   65 PRO  QG           66 THR  H           5.00    (#    863:10  Preassigned    5.13, 5.34 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 975, 976,
 &end
#
#   66 THR  HG2          66 THR  H           4.00    (#    864:10  Preassigned    3.57, 4.24 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   30 VAL  QG1          30 VAL  H           4.00    (#    865:10  Preassigned    3.02, 3.69 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   30 VAL  QG2          30 VAL  H           3.00    (#    866:10  Preassigned    2.32, 2.80 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 465, 466, 467,
 &end
#
#   30 VAL  HB           30 VAL  H           4.00    (#    867:10  Preassigned    3.46, 3.46 A)
 &rst
  ixpk= 867, nxpk= 10, iat= 459, 455, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 VAL  QG2          30 VAL  H           4.00    (#    868:10  Preassigned    4.16, 4.72 A)
# BIN 5.0
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          30 VAL  H           4.00    (#    872:10  Preassigned    2.85, 3.38 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 445, 446, 447,
 &end
#
#   21 PRO  HA           22 THR  H           3.00    (#    876:10  Preassigned    1.88, 1.88 A)
 &rst
  ixpk= 876, nxpk= 10, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           22 THR  H           4.00    (#    877:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 356, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 MET  HB-          22 THR  H           4.00    (#    878:10  Preassigned    3.89, 4.48 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 878, nxpk= 10, iat=  476, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HB+          22 THR  H           4.00    (#    879:10  Preassigned    3.21, 3.43 A)
# CHANGED TO HB2
 &rst
  ixpk= 879, nxpk= 10, iat=  345, 352, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 345, 346,
 &end
#
#   21 PRO  HB-          22 THR  H           3.00    (#    880:10  Preassigned    3.21, 3.43 A)
# CHANGED TO HB3
 &rst
  ixpk= 880, nxpk= 10, iat=  346, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   31 MET  HB+          22 THR  H           5.00    (#    881:10  Preassigned    3.89, 4.48 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 881, nxpk= 10, iat=  475, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   37 GLY  HA+          38 THR  H           4.00    (#    883:10  Preassigned    2.10, 2.51 A)
# CHANGED TO HA2
 &rst
  ixpk= 883, nxpk= 10, iat=  562, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   38 THR  HA           38 THR  H           4.00    (#    884:10  Preassigned    2.74, 2.74 A)
 &rst
  ixpk= 884, nxpk= 10, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 GLY  HA-          38 THR  H           5.00    (#    885:10  Preassigned    2.10, 2.51 A)
# CHANGED TO HA3
 &rst
  ixpk= 885, nxpk= 10, iat=  563, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   38 THR  HG2          38 THR  H           5.00    (#    886:10  Preassigned    4.03, 4.27 A)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   21 PRO  HG+          22 THR  H           5.00    (#    888:10  Preassigned    4.63, 5.05 A)
# CHANGED TO HG3
 &rst
  ixpk= 888, nxpk= 10, iat=  343, 352, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   22 THR  HA           22 THR  H           3.00    (#    889:10  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 889, nxpk= 10, iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 TRP  HZ3          96 PHE  H           5.00    (#    900:10  Preassigned    5.02, 5.02 A)
 &rst
  ixpk= 900, nxpk= 10, iat=1437,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 TRP  HA           96 PHE  H           3.00    (#    901:10  Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 901, nxpk= 10, iat=1422,1444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 TRP  HB+          96 PHE  H           5.00    (#    902:10  Preassigned    4.40, 4.47 A)
# CHANGED TO HB2
 &rst
  ixpk= 902, nxpk= 10, iat=  1424,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   96 PHE  HB+          96 PHE  H           4.00    (#    903:10  Preassigned    3.16, 3.44 A)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1448,1449,
 &end
#
#   96 PHE  HB-          96 PHE  H           4.00    (#    904:10  Preassigned    3.16, 3.44 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1448,1449,
 &end
#
#   32 GLU  HA           75 ILE  H           4.00    (#    915:10  Preassigned    3.36, 3.36 A)
 &rst
  ixpk= 915, nxpk= 10, iat= 490,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 PHE  HA           75 ILE  H           3.00    (#    916:10  Preassigned    2.05, 2.05 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1082,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ILE  HA           75 ILE  H           4.00    (#    917:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 917, nxpk= 10, iat=1102,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 PHE  QB           75 ILE  H           4.00    (#    918:10  Preassigned    3.92, 4.01 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1084,1085,
 &end
#
#   31 MET  HG+          75 ILE  H           5.00    (#    919:10  Preassigned    3.93, 4.08 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 919, nxpk= 10, iat=  478,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   32 GLU  QB           75 ILE  H           5.00    (#    920:10  Preassigned    3.97, 4.80 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 492, 493,
 &end
#
#   31 MET  HG-          75 ILE  H           5.00    (#    921:10  Preassigned    3.93, 4.08 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 921, nxpk= 10, iat=  479,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   32 GLU  HG-          75 ILE  H           5.00    (#    922:10  Preassigned    4.44, 5.07 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 922, nxpk= 10, iat=  496,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   75 ILE  HG1+         75 ILE  H           4.00    (#    923:10  Preassigned    3.10, 3.47 A)
# CHANGE TO HG13
 &rst
  ixpk= 923, nxpk= 10, iat=  1111,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HB           75 ILE  H           4.00    (#    924:10  Preassigned    2.36, 2.36 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1104,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ILE  HG1-         75 ILE  H           4.00    (#    925:10  Preassigned    3.10, 3.47 A)
# CHANGE TO HG12
 &rst
  ixpk= 925, nxpk= 10, iat=  1110,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   78 GLN  H            59 MET  H           4.00    (#    941:10  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 941, nxpk= 10, iat=1151, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  H            59 MET  H           6.00    (#    942:10  Preassigned    4.10, 4.10 A)
 &rst
  ixpk= 942, nxpk= 10, iat= 891, 874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 MET  HA           59 MET  H           4.00    (#    945:10  Preassigned    3.10, 3.10 A)
 &rst
  ixpk= 945, nxpk= 10, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 ALA  HA           59 MET  H           3.00    (#    946:10  Preassigned    1.75, 1.75 A)
 &rst
  ixpk= 946, nxpk= 10, iat= 866, 874, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 MET  QG           59 MET  H           4.00    (#    947:10  Preassigned    3.44, 3.86 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 881, 882,
 &end
#
#   59 MET  HB+          59 MET  H           4.00    (#    948:10  Preassigned    2.61, 3.23 A)
# CHANGED TO MET59 HB3
 &rst
  ixpk= 948, nxpk= 10, iat=  879, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   59 MET  HB-          59 MET  H           3.00    (#    949:10  Preassigned    2.61, 3.23 A)
# CHANGED TO MET59 HB2
 &rst
  ixpk= 949, nxpk= 10, iat=  878, 874, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   77 MET  HB-          59 MET  H           4.00    (#    950:10  Preassigned    3.07, 3.87 A)
# CHANGED TO HB2
 &rst
  ixpk= 950, nxpk= 10, iat=  1138, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   58 ALA  QB           59 MET  H           4.00    (#    951:10  Preassigned    2.86, 3.53 A)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 868, 869, 870,
 &end
#
#   47 ALA  QB           59 MET  H           5.00    (#    952:10  Preassigned    5.05, 5.74 A)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 728, 729, 730,
 &end
#
#   79 LEU  QD1          59 MET  H           4.00    (#    953:10  Preassigned    4.98, 5.40 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1177,1178,1179,
 &end
#
#   79 LEU  HA           59 MET  H           5.00    (#    954:10  Preassigned    3.66, 3.66 A)
 &rst
  ixpk= 954, nxpk= 10, iat=1170, 874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 VAL  QG2          59 MET  H           5.00    (#    955:10  Preassigned    5.35, 6.32 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 858, 859, 860,
 &end
#
#   46 ARG  H            45 VAL  H           5.00    (#    957:10  Preassigned    4.64, 4.64 A)
 &rst
  ixpk= 957, nxpk= 10, iat= 700, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HA           45 VAL  H           4.00    (#    959:10  Preassigned    2.75, 2.75 A)
 &rst
  ixpk= 959, nxpk= 10, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PRO  HA           45 VAL  H           3.00    (#    960:10  Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 960, nxpk= 10, iat= 680, 684, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 VAL  HA           45 VAL  H           5.00    (#    961:10  Preassigned    4.24, 4.24 A)
 &rst
  ixpk= 961, nxpk= 10, iat=1309, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PRO  HB+          45 VAL  H           5.00    (#    962:10  Preassigned    4.40, 4.57 A)
# CHANGE TO HB3
 &rst
  ixpk= 962, nxpk= 10, iat=  678, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   44 PRO  HB-          45 VAL  H           4.00    (#    963:10  Preassigned    4.40, 4.57 A)
# CHANGED TO HB2
 &rst
  ixpk= 963, nxpk= 10, iat=  677, 684, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   45 VAL  HB           45 VAL  H           4.00    (#    964:10  Preassigned    2.30, 2.30 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 688, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ILE  QD1          45 VAL  H           5.00    (#    966:10  Preassigned    5.09, 5.43 A)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1113,1114,1115,
 &end
#
#   43 ILE  QG2          45 VAL  H           5.00    (#    967:10  Preassigned    3.46, 4.50 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 657, 658, 659,
 &end
#
#   52 ALA  HA           52 ALA  H           4.00    (#    978:10  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 PRO  HA           52 ALA  H           5.00    (#    980:10  Preassigned    4.66, 4.66 A)
 &rst
  ixpk= 980, nxpk= 10, iat= 804, 784, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 GLY  HA+          52 ALA  H           4.00    (#    981:10  Preassigned    3.46, 3.58 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 779, 780,
 &end
#
#   51 GLY  HA-          52 ALA  H           4.00    (#    982:10  Preassigned    3.46, 3.58 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 779, 780,
 &end
#
#   53 PRO  HD-          52 ALA  H           4.00    (#    983:10  Unique         4.20, 4.54 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 795, 796,
 &end
#
#   49 ALA  QB           52 ALA  H           4.00    (#    984:10  Preassigned    4.25, 5.01 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 754, 755, 756,
 &end
#
#   52 ALA  QB           52 ALA  H           3.00    (#    985:10  Preassigned    2.80, 3.14 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 788, 789, 790,
 &end
#
#   48 VAL  QG2          52 ALA  H           5.00    (#    986:10  Preassigned    4.65, 5.64 A)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 744, 745, 746,
 &end
#
#   73 GLY  H            74 PHE  H           4.00    (#    991:10  Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 991, nxpk= 10, iat=1073,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 GLU  HA           74 PHE  H           5.00    (#    994:10  Preassigned    3.97, 3.97 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 490,1080, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 PHE  HA           74 PHE  H           4.00    (#    995:10  Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 995, nxpk= 10, iat=1082,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 GLY  HA+          74 PHE  H           5.00    (#    996:10  Preassigned    3.96, 4.33 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1068,1069,
 &end
#
#   73 GLY  HA+          74 PHE  H           4.00    (#    997:10  Preassigned    2.76, 3.13 A)
# CHANGED TO HA3
 &rst
  ixpk= 997, nxpk= 10, iat=  1076,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   73 GLY  HA-          74 PHE  H           4.00    (#    998:10  Preassigned    2.76, 3.13 A)
# CHANGED TO HA2
 &rst
  ixpk= 998, nxpk= 10, iat=  1075,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   74 PHE  QB           74 PHE  H           3.00    (#    999:10  Preassigned    2.13, 2.39 A)
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1084,1085,
 &end
#
#   32 GLU  QB           74 PHE  H           4.00    (#   1000:10  Preassigned    4.38, 4.95 A)
# BIN 5.0	
#&rst
# ixpk= 1000, nxpk= 10, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
#igr1= 492, 493,
#&end
#
#   75 ILE  HG1-         74 PHE  H           5.00    (#   1001:10  Preassigned    4.74, 5.33 A)
# CHANGE TO HG13
 &rst
  ixpk= 1001, nxpk= 10, iat=  1110,1080, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   72 GLY  HA-          74 PHE  H           4.00    (#   1002:10  Preassigned    3.96, 4.33 A)
# CHANGED TO HA2
 &rst
  ixpk= 1002, nxpk= 10, iat=  1068,1080, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   12 LYS  H            11 ASP  H           5.00    (#   1009:10  Preassigned    4.55, 4.55 A)
 &rst
  ixpk= 1009, nxpk= 10, iat= 170, 158, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HZ           11 ASP  H           4.00    (#   1012:10  Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 1012, nxpk= 10, iat= 541, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 CYS  HA           11 ASP  H           3.00    (#   1016:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1016, nxpk= 10, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 ASP  HA           11 ASP  H           4.00    (#   1017:10  Preassigned    2.93, 2.93 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS  HB+          11 ASP  H           5.00    (#   1018:10  Preassigned    5.19, 5.21 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 1018, nxpk= 10, iat=  621, 158, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   41 CYS  HB-          11 ASP  H           5.00    (#   1019:10  Preassigned    5.19, 5.21 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 1019, nxpk= 10, iat=  622, 158, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   11 ASP  HB+          11 ASP  H           3.00    (#   1020:10  Preassigned    2.59, 2.64 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   10 CYS  HB-          11 ASP  H           5.00    (#   1021:10  Preassigned    2.98, 3.46 A)
# CHANGED TO HB2
 &rst
  ixpk= 1021, nxpk= 10, iat=  152, 158, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   14 LYS  HB-          11 ASP  H           5.00    (#   1022:10  Preassigned    4.39, 5.25 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 1022, nxpk= 10, iat=  206, 158, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   15 PHE  HA           36 SER  H           5.00    (#   1038:10  Preassigned    3.58, 3.58 A)
 &rst
  ixpk= 1038, nxpk= 10, iat= 226, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HA           36 SER  H           4.00    (#   1039:10  Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 1039, nxpk= 10, iat= 531, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 SER  HA           36 SER  H           4.00    (#   1041:10  Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 1041, nxpk= 10, iat= 551, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 GLY  H            36 SER  H           4.00    (#   1042:10  Preassigned    3.26, 3.26 A)
 &rst
  ixpk= 1042, nxpk= 10, iat= 560, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 SER  HB+          36 SER  H           5.00    (#   1043:10  Preassigned    2.41, 2.51 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 553, 554,
 &end
#
#   36 SER  HB-          36 SER  H           5.00    (#   1044:10  Preassigned    2.41, 2.51 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 553, 554,
 &end
#
#   35 PHE  HB+          36 SER  H           5.00    (#   1045:10  Preassigned    4.48, 4.50 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 1045, nxpk= 10, iat=  533, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   14 LYS  HB+          36 SER  H           4.00    (#   1046:10  Preassigned    3.13, 3.61 A)
# CHANGED TO HB3
 &rst
  ixpk= 1046, nxpk= 10, iat=  207, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   14 LYS  HB-          36 SER  H           4.00    (#   1047:10  Preassigned    3.13, 3.61 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 1047, nxpk= 10, iat=  206, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   27 ASP  H            26 HIS  H           4.00    (#   1052:10  Preassigned    2.15, 2.15 A)
 &rst
  ixpk= 1052, nxpk= 10, iat= 413, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLY  H            26 HIS  H           4.00    (#   1053:10  Preassigned    2.62, 2.62 A)
 &rst
  ixpk= 1053, nxpk= 10, iat= 389, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  H            26 HIS  H           4.00    (#   1056:10  Preassigned    2.61, 2.61 A)
 &rst
  ixpk= 1056, nxpk= 10, iat= 425, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 HIS  HA           26 HIS  H           4.00    (#   1058:10  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 1058, nxpk= 10, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLY  HA2          26 HIS  H           4.00    (#   1060:10  Preassigned    3.42, 3.42 A)
 &rst
  ixpk= 1060, nxpk= 10, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  HA           26 HIS  H           5.00    (#   1061:10  Preassigned    4.44, 4.44 A)
 &rst
  ixpk= 1061, nxpk= 10, iat= 380, 396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA3          26 HIS  H           4.00    (#   1062:10  Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 1062, nxpk= 10, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  QB           26 HIS  H           4.00    (#   1063:10  Preassigned    3.99, 4.14 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 382, 383,
 &end
#
#   26 HIS  HB+          26 HIS  H           4.00    (#   1064:10  Preassigned    2.81, 3.35 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   27 ASP  HB2          26 HIS  H           6.00    (#   1065:10  Preassigned    5.02, 5.02 A)
 &rst
  ixpk= 1065, nxpk= 10, iat= 417, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 HIS  HB-          26 HIS  H           4.00    (#   1066:10  Preassigned    2.81, 3.35 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   98 LYS  H            97 GLN  HE22        5.00    (#   1072:10  Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=1481,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 GLY  HA2          97 GLN  HE22        5.00    (#   1075:10  Preassigned    3.44, 3.44 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=1505,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 GLN  QG           97 GLN  HE22        4.00    (#   1076:10  Preassigned    2.19, 2.67 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   97 GLN  HB+          97 GLN  HE22        4.00    (#   1077:10  Preassigned    4.49, 4.54 A)
# CHANGED TO HB2
# BIN 4.5
 &rst
  ixpk= 1077, nxpk= 10, iat=  1468,1477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,
 &end
#
#   98 LYS  HG-          97 GLN  HE22        5.00    (#   1078:10  Preassigned    4.69, 5.08 A)
# CHANGED TO HG3
 &rst
  ixpk= 1078, nxpk= 10, iat=  1489,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   54 ASP  H            55 VAL  H           4.00    (#   1083:10  Preassigned    2.29, 2.29 A)
 &rst
  ixpk= 1083, nxpk= 10, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 ASP  HA           55 VAL  H           4.00    (#   1086:10  Preassigned    3.38, 3.38 A)
 &rst
  ixpk= 1086, nxpk= 10, iat= 810, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 PRO  HA           55 VAL  H           5.00    (#   1087:10  Preassigned    3.97, 3.97 A)
 &rst
  ixpk= 1087, nxpk= 10, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 VAL  HA           55 VAL  H           4.00    (#   1088:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 1088, nxpk= 10, iat= 822, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 ASP  HB+          55 VAL  H           5.00    (#   1089:10  Preassigned    3.34, 3.82 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 1089, nxpk= 10, iat=  813, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   54 ASP  HB-          55 VAL  H           5.00    (#   1090:10  Preassigned    3.34, 3.82 A)
# CHANGED TO D54 HB2
 &rst
  ixpk= 1090, nxpk= 10, iat=  812, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   55 VAL  HB           55 VAL  H           3.00    (#   1091:10  Preassigned    2.83, 2.83 A)
 &rst
  ixpk= 1091, nxpk= 10, iat= 824, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ALA  QB           55 VAL  H           5.00    (#   1092:10  Preassigned    3.64, 4.11 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 788, 789, 790,
 &end
#
#   55 VAL  QQG          55 VAL  H           3.00    (#   1093:10  Preassigned    2.61, 4.14 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   13 ALA  H            14 LYS  H           4.00    (#   1103:10  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 1103, nxpk= 10, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  H            14 LYS  H           4.00    (#   1104:10  Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 1104, nxpk= 10, iat= 224, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ALA  HA           14 LYS  H           4.00    (#   1107:10  Preassigned    3.21, 3.21 A)
 &rst
  ixpk= 1107, nxpk= 10, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 LYS  HA           14 LYS  H           4.00    (#   1108:10  Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 1108, nxpk= 10, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 ASP  HB-          14 LYS  H           4.00    (#   1109:10  Preassigned    2.91, 3.72 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   14 LYS  HB+          14 LYS  H           4.00    (#   1110:10  Preassigned    2.96, 3.48 A)
# CHANGED TO HB3
 &rst
  ixpk= 1110, nxpk= 10, iat=  207, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   13 ALA  QB           14 LYS  H           4.00    (#   1111:10  Preassigned    4.06, 4.48 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 196, 197, 198,
 &end
#
#   14 LYS  HB-          14 LYS  H           4.00    (#   1112:10  Preassigned    2.96, 3.48 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 1112, nxpk= 10, iat=  206, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   14 LYS  HG-          14 LYS  H           4.00    (#   1113:10  Preassigned    3.02, 3.73 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 209, 210,
 &end
#
#   97 GLN  QG           97 GLN  HE21        5.00    (#   1117:10  Preassigned    3.37, 3.64 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1471,1472,
 &end
#
#   81 PRO  HG+          97 GLN  HE21        4.00    (#   1118:10  Preassigned    4.18, 4.84 A)
# CHANGED TO HG2
# BIN TO 5.2
 &rst
  ixpk= 1118, nxpk= 10, iat=  1205,1476, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.50,
 &end
#
#   79 LEU  HB+          97 GLN  HE21        5.00    (#   1119:10  Preassigned    4.30, 4.94 A)
# CHANGED TO HB2
 &rst
  ixpk= 1119, nxpk= 10, iat=  1172,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   85 ILE  H            48 VAL  H           4.00    (#   1137:10  Preassigned    2.59, 2.59 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1248, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  H            48 VAL  H           5.00    (#   1139:10  Preassigned    4.30, 4.30 A)
 &rst
  ixpk= 1139, nxpk= 10, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 ALA  HA           48 VAL  H           3.00    (#   1140:10  Preassigned    2.04, 2.04 A)
 &rst
  ixpk= 1140, nxpk= 10, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 VAL  HA           48 VAL  H           4.00    (#   1141:10  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 1141, nxpk= 10, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HA           48 VAL  H           5.00    (#   1142:10  Preassigned    3.45, 3.45 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=1269, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 VAL  HB           48 VAL  H           5.00    (#   1143:10  Preassigned    3.98, 3.98 A)
 &rst
  ixpk= 1143, nxpk= 10, iat= 738, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 ASN  HB-          48 VAL  H           5.00    (#   1144:10  Preassigned    3.70, 3.72 A)
# CHANGED TO HB3
 &rst
  ixpk= 1144, nxpk= 10, iat=  1239, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   85 ILE  HB           48 VAL  H           4.00    (#   1145:10  Preassigned    3.29, 3.29 A)
 &rst
  ixpk= 1145, nxpk= 10, iat=1252, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HG12         48 VAL  H           6.00    (#   1146:10  Preassigned    5.82, 5.82 A)
 &rst
  ixpk= 1146, nxpk= 10, iat=1258, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 ALA  QB           48 VAL  H           4.00    (#   1147:10  Preassigned    3.23, 3.87 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          48 VAL  H           3.00    (#   1148:10  Preassigned    2.26, 3.19 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#   86 ILE  HG1-         48 VAL  H           5.00    (#   1149:10  Preassigned    4.41, 4.56 A)
# CHANGED TO HG12
 &rst
  ixpk= 1149, nxpk= 10, iat=  1277, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   57 VAL  QG2          48 VAL  H           5.00    (#   1150:10  Preassigned    4.12, 4.99 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 858, 859, 860,
 &end
#
#   24 SER  QB           25 GLY  H           5.00    (#   1156:10  Preassigned    4.42, 4.44 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 382, 383,
 &end
#
#   26 HIS  H            25 GLY  H           4.00    (#   1159:10  Preassigned    2.62, 2.62 A)
 &rst
  ixpk= 1159, nxpk= 10, iat= 396, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLY  HA2          25 GLY  H           4.00    (#   1161:10  Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 1161, nxpk= 10, iat= 391, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  HA           25 GLY  H           5.00    (#   1162:10  Preassigned    3.38, 3.38 A)
 &rst
  ixpk= 1162, nxpk= 10, iat= 380, 389, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLY  HA3          25 GLY  H           3.00    (#   1163:10  Preassigned    2.88, 2.88 A)
 &rst
  ixpk= 1163, nxpk= 10, iat= 392, 389, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ASP  QB           25 GLY  H           5.00    (#   1164:10  Preassigned    2.34, 3.14 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 370, 371,
 &end
#
#   74 PHE  H            73 GLY  H           4.00    (#   1167:10  Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=1080,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 GLY  HA+          73 GLY  H           4.00    (#   1170:10  Preassigned    2.51, 2.74 A)
# CHANGED TO HA3
 &rst
  ixpk= 1170, nxpk= 10, iat=  1076,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   72 GLY  HA-          73 GLY  H           4.00    (#   1171:10  Preassigned    2.34, 2.44 A)
# CHANGED TO HA2
 &rst
  ixpk= 1171, nxpk= 10, iat=  1068,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   73 GLY  HA-          73 GLY  H           4.00    (#   1172:10  Preassigned    2.51, 2.74 A)
# CHANGED TO HA2
 &rst
  ixpk= 1172, nxpk= 10, iat=  1075,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   74 PHE  QB           73 GLY  H           5.00    (#   1173:10  Preassigned    4.81, 4.82 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1084,1085,
 &end
#
#   67 MET  QG           73 GLY  H           5.00    (#   1174:10  Preassigned    3.34, 4.14 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1006,1007,
 &end
#
#   33 VAL  QG2          73 GLY  H           5.00    (#   1175:10  Preassigned    5.02, 5.62 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 513, 514, 515,
 &end
#
#   43 ILE  QD1          73 GLY  H           4.00    (#   1176:10  Preassigned    3.12, 3.87 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 664, 665, 666,
 &end
#
#   55 VAL  H            54 ASP  H           4.00    (#   1185:10  Preassigned    2.29, 2.29 A)
 &rst
  ixpk= 1185, nxpk= 10, iat= 820, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ALA  HA           54 ASP  H           5.00    (#   1186:10  Preassigned    4.03, 4.03 A)
 &rst
  ixpk= 1186, nxpk= 10, iat= 786, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 PRO  HA           54 ASP  H           4.00    (#   1188:10  Preassigned    3.17, 3.17 A)
 &rst
  ixpk= 1188, nxpk= 10, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 PRO  HD-          54 ASP  H           5.00    (#   1189:10  Preassigned    3.03, 3.47 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 795, 796,
 &end
#
#   54 ASP  HB+          54 ASP  H           4.00    (#   1190:10  Preassigned    2.73, 3.23 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 1190, nxpk= 10, iat=  813, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   54 ASP  HB-          54 ASP  H           4.00    (#   1191:10  Preassigned    2.73, 3.23 A)
# CHANGED TO D54 HB2
 &rst
  ixpk= 1191, nxpk= 10, iat=  812, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   53 PRO  HG+          54 ASP  H           4.00    (#   1192:10  Preassigned    2.82, 3.62 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 798, 799,
 &end
#
#   53 PRO  HG-          54 ASP  H           4.00    (#   1193:10  Preassigned    2.82, 3.62 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 798, 799,
 &end
#
#   52 ALA  QB           54 ASP  H           5.00    (#   1194:10  Preassigned    4.22, 4.85 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 788, 789, 790,
 &end
#
#   54 ASP  HA           54 ASP  H           4.00    (#   1198:10  Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 1198, nxpk= 10, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 PRO  HD+          54 ASP  H           5.00    (#   1199:10  Preassigned    3.03, 3.47 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 795, 796,
 &end
#
#   53 PRO  HB+          54 ASP  H           5.00    (#   1200:10  Preassigned    3.75, 4.02 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 801, 802,
 &end
#
#   55 VAL  QQG          54 ASP  H           4.00    (#   1201:10  Preassigned    3.89, 5.95 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   62 THR  HA           64 ASN  H           5.00    (#   1213:10  Preassigned    5.24, 5.24 A)
# BIN 6
 &rst
  ixpk= 1213, nxpk= 10, iat= 931, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ASN  HA           64 ASN  H           4.00    (#   1214:10  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 1214, nxpk= 10, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 PRO  HA           64 ASN  H           4.00    (#   1215:10  Preassigned    3.63, 3.63 A)
 &rst
  ixpk= 1215, nxpk= 10, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 PRO  HD+          64 ASN  H           5.00    (#   1216:10  Preassigned    3.93, 4.17 A)
# CHANGED TO HD3
 &rst
  ixpk= 1216, nxpk= 10, iat=  945, 957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   63 PRO  HD-          64 ASN  H           4.00    (#   1217:10  Preassigned    3.93, 4.17 A)
# CHANGED TO HD2
 &rst
  ixpk= 1217, nxpk= 10, iat=  944, 957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   64 ASN  HB+          64 ASN  H           5.00    (#   1218:10  Preassigned    2.47, 2.74 A)
# CHANGED TO HB3
 &rst
  ixpk= 1218, nxpk= 10, iat=  962, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   64 ASN  HB-          64 ASN  H           4.00    (#   1219:10  Preassigned    2.47, 2.74 A)
# CHANGED TO HB2
 &rst
  ixpk= 1219, nxpk= 10, iat=  961, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   63 PRO  HG2          64 ASN  H           5.00    (#   1220:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1220, nxpk= 10, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 PRO  HB-          64 ASN  H           5.00    (#   1221:10  Preassigned    2.39, 3.10 A)
# CHANGED TO HB2
 &rst
  ixpk= 1221, nxpk= 10, iat=  950, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   63 PRO  HG3          64 ASN  H           5.00    (#   1222:10  Preassigned    3.71, 3.71 A)
 &rst
  ixpk= 1222, nxpk= 10, iat= 948, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 LEU  QD1          64 ASN  H           5.00    (#   1223:10  Preassigned    5.28, 6.21 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 900, 901, 902,
 &end
#
#    8 THR  HA            8 THR  H           4.00    (#   1225:10  Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 1225, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 THR  HB            8 THR  H           4.00    (#   1226:10  Preassigned    3.62, 3.62 A)
 &rst
  ixpk= 1226, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 TYR  HB+           8 THR  H           4.00    (#   1227:10  Preassigned    3.12, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 1227, nxpk= 10, iat=  101, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    7 TYR  HB-           8 THR  H           5.00    (#   1228:10  Preassigned    3.12, 3.60 A)
# CHANGED TO HB2
 &rst
  ixpk= 1228, nxpk= 10, iat=  100, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#    8 THR  HG2           8 THR  H           4.00    (#   1229:10  Preassigned    2.27, 3.12 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 123, 124, 125,
 &end
#
#   67 MET  H            41 CYS  H           4.00    (#   1234:10  Preassigned    3.23, 3.23 A)
 &rst
  ixpk= 1234, nxpk= 10, iat= 999, 617, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 PRO  HA           41 CYS  H           3.00    (#   1236:10  Preassigned    2.56, 2.56 A)
 &rst
  ixpk= 1236, nxpk= 10, iat= 613, 617, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 LYS  HA           41 CYS  H           4.00    (#   1237:10  Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 1237, nxpk= 10, iat= 583, 617, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS  HB+          41 CYS  H           5.00    (#   1238:10  Preassigned    3.69, 3.83 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 1238, nxpk= 10, iat=  621, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   41 CYS  HB-          41 CYS  H           5.00    (#   1239:10  Preassigned    3.69, 3.83 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 1239, nxpk= 10, iat=  622, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   40 PRO  HB+          41 CYS  H           4.00    (#   1240:10  Preassigned    2.74, 3.33 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 610, 611,
 &end
#
#   67 MET  HB2          41 CYS  H           4.00    (#   1241:10  Preassigned    3.73, 3.73 A)
# BIN 4.5
 &rst
  ixpk= 1241, nxpk= 10, iat=1003, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,  &end
#
#   40 PRO  HG+          41 CYS  H           4.00    (#   1242:10  Preassigned    3.69, 4.32 A)
# CHANGED TO HG3
# BIN 5
 &rst
  ixpk= 1242, nxpk= 10, iat=  608, 617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.40,
 &end
#
#   40 PRO  HB-          41 CYS  H           4.00    (#   1243:10  Preassigned    2.74, 3.33 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 610, 611,
 &end
#
#   39 LYS  HB-          41 CYS  H           4.00    (#   1244:10  Preassigned    4.33, 5.19 A)
# BIN 5
# CHANGED TO LYS39 HB3
 &rst
  ixpk= 1244, nxpk= 10, iat=  586, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 &end
#
#   66 THR  HG2          41 CYS  H           4.00    (#   1245:10  Preassigned    4.63, 5.29 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   97 GLN  H            82 GLY  H           4.00    (#   1253:10  Preassigned    2.76, 2.76 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=1464,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HD21         82 GLY  H           5.00    (#   1254:10  Preassigned    3.34, 3.34 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=1243,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 GLY  HA+          82 GLY  H           4.00    (#   1255:10  Preassigned    2.44, 2.70 A)
# CHANGED TO HA2
 &rst
  ixpk= 1255, nxpk= 10, iat=  1217,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   81 PRO  HA           82 GLY  H           3.00    (#   1256:10  Preassigned    1.78, 1.78 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=1211,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 GLY  HA-          82 GLY  H           4.00    (#   1257:10  Preassigned    2.44, 2.70 A)
# CHANGED TO HA3
 &rst
  ixpk= 1257, nxpk= 10, iat=  1218,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   97 GLN  QG           82 GLY  H           4.00    (#   1258:10  Preassigned    3.52, 3.84 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   81 PRO  HB+          82 GLY  H           4.00    (#   1259:10  Preassigned    3.02, 3.52 A)
# CHANGED TO HB3
 &rst
  ixpk= 1259, nxpk= 10, iat=  1209,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   97 GLN  HB-          82 GLY  H           4.00    (#   1260:10  Preassigned    2.01, 2.81 A)
# CHANGED TO HB3
 &rst
  ixpk= 1260, nxpk= 10, iat=  1469,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   81 PRO  HG-          82 GLY  H           5.00    (#   1261:10  Preassigned    3.91, 4.43 A)
# CHANGED TO HG3
 &rst
  ixpk= 1261, nxpk= 10, iat=  1206,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   34 ALA  H            16 THR  H           4.00    (#   1266:10  Preassigned    3.15, 3.15 A)
 &rst
  ixpk= 1266, nxpk= 10, iat= 519, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HD1          16 THR  H           5.00    (#   1268:10  Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 1268, nxpk= 10, iat= 232, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 PHE  HA           16 THR  H           3.00    (#   1269:10  Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 1269, nxpk= 10, iat= 226, 244, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HA           16 THR  H           4.00    (#   1270:10  Preassigned    3.80, 3.80 A)
 &rst
  ixpk= 1270, nxpk= 10, iat= 531, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  HA           16 THR  H           4.00    (#   1272:10  Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 1272, nxpk= 10, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  HB           16 THR  H           5.00    (#   1273:10  Preassigned    3.72, 3.72 A)
 &rst
  ixpk= 1273, nxpk= 10, iat= 248, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 PHE  HB2          16 THR  H           4.00    (#   1274:10  Preassigned    3.75, 3.75 A)
 &rst
  ixpk= 1274, nxpk= 10, iat= 228, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HB3          16 THR  H           4.00    (#   1275:10  Preassigned    2.54, 2.54 A)
 &rst
  ixpk= 1275, nxpk= 10, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HB           16 THR  H           4.00    (#   1276:10  Preassigned    3.94, 3.94 A)
 &rst
  ixpk= 1276, nxpk= 10, iat= 507, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ALA  QB           16 THR  H           4.00    (#   1277:10  Preassigned    4.26, 5.08 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 523, 524, 525,
 &end
#
#   16 THR  HG2          16 THR  H           4.00    (#   1278:10  Preassigned    3.60, 4.20 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 250, 251, 252,
 &end
#
#   33 VAL  QG1          16 THR  H           5.00    (#   1279:10  Preassigned    4.63, 5.34 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 509, 510, 511,
 &end
#
#   91 LEU  QD1          16 THR  H           5.00    (#   1280:10  Preassigned    4.83, 5.47 A)
#&rst
# ixpk= 1280, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
#igr1=1354,1355,1356,
#&end
#
#   91 LEU  QD2          16 THR  H           5.00    (#   1281:10  Preassigned    3.15, 4.04 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#   71 GLY  HA2          72 GLY  H           5.00    (#   1289:10  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1061,1066, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 GLY  HA3          72 GLY  H           4.00    (#   1293:10  Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 VAL  H            31 MET  H           6.00    (#   1308:10  Preassigned    4.46, 4.46 A)
 &rst
  ixpk= 1308, nxpk= 10, iat= 455, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 VAL  HA           31 MET  H           3.00    (#   1310:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1310, nxpk= 10, iat= 457, 471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 MET  HG+          31 MET  H           4.00    (#   1311:10  Preassigned    2.27, 2.85 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 1311, nxpk= 10, iat=  478, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   31 MET  HB+          31 MET  H           5.00    (#   1312:10  Preassigned    3.45, 3.74 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 1312, nxpk= 10, iat=  475, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   30 VAL  HB           31 MET  H           4.00    (#   1313:10  Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 1313, nxpk= 10, iat= 459, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 MET  HB-          31 MET  H           4.00    (#   1314:10  Preassigned    3.45, 3.74 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 1314, nxpk= 10, iat=  476, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HG1+         31 MET  H           4.00    (#   1315:10  Preassigned    4.68, 4.97 A)
# CHANGE TO HG13
 &rst
  ixpk= 1315, nxpk= 10, iat=  1111, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   30 VAL  QG1          31 MET  H           4.00    (#   1316:10  Preassigned    3.86, 4.51 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   30 VAL  QG2          31 MET  H           4.00    (#   1317:10  Preassigned    4.55, 5.01 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 465, 466, 467,
 &end
#
#   74 PHE  HD1          31 MET  H           5.00    (#   1318:10  Preassigned    4.78, 4.78 A)
 &rst
  ixpk= 1318, nxpk= 10, iat=1088, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  HA           31 MET  H           4.00    (#   1320:10  Preassigned    2.99, 2.99 A)
 &rst
  ixpk= 1320, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 PRO  HA           31 MET  H           6.00    (#   1321:10  Preassigned    4.77, 4.77 A)
 &rst
  ixpk= 1321, nxpk= 10, iat= 348, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 MET  HG-          31 MET  H           4.00    (#   1322:10  Preassigned    2.27, 2.85 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 1322, nxpk= 10, iat=  479, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HB           31 MET  H           4.00    (#   1324:10  Preassigned    2.45, 2.45 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=1104, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HE21         99 GLY  H           5.00    (#   1332:10  Preassigned    3.41, 3.41 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=1476,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 LYS  HA           99 GLY  H           3.00    (#   1334:10  Preassigned    3.26, 3.26 A)
# BIN 3 to 3.4
 &rst
  ixpk= 1334, nxpk= 10, iat=1483,1503, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.80,  &end
#
#   99 GLY  HA2          99 GLY  H           4.00    (#   1335:10  Preassigned    2.23, 2.23 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=1505,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 GLY  HA3          99 GLY  H           4.00    (#   1336:10  Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 1336, nxpk= 10, iat=1506,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 PRO  HG+          99 GLY  H           4.00    (#   1337:10  Preassigned    4.97, 5.24 A)
# BIN 5
# CHANGED TO HG2
 &rst
  ixpk= 1337, nxpk= 10, iat=  1205,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   98 LYS  QB           99 GLY  H           3.00    (#   1338:10  Preassigned    2.78, 3.43 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1485,1486,
 &end
#
#   98 LYS  QD           99 GLY  H           5.00    (#   1339:10  Preassigned    5.09, 5.69 A)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1491,1492,
 &end
#
#   98 LYS  HG-          99 GLY  H           4.00    (#   1340:10  Preassigned    4.25, 4.79 A)
# CHANGED TO HG3
 &rst
  ixpk= 1340, nxpk= 10, iat=  1489,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   64 ASN  HB+          64 ASN  HD21        5.00    (#   1354:10  Preassigned    3.62, 3.86 A)
# CHANGED TO HB3
 &rst
  ixpk= 1354, nxpk= 10, iat=  962, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   64 ASN  HB-          64 ASN  HD21        4.00    (#   1355:10  Preassigned    3.62, 3.86 A)
# CHANGED TO HB2
 &rst
  ixpk= 1355, nxpk= 10, iat=  961, 966, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   94 GLN  QG           94 GLN  HE21        5.00    (#   1370:10  Preassigned    3.50, 3.69 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1410,1411,
 &end
#
#   78 GLN  HG3          78 GLN  HE21        4.00    (#   1375:10  Preassigned    3.46, 3.46 A)
 &rst
  ixpk= 1375, nxpk= 10, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HG2          78 GLN  HE21        5.00    (#   1376:10  Preassigned    3.35, 3.89 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 431, 432, 433,
 &end
#
#   61 ILE  H            62 THR  H           4.00    (#   1377:10  Preassigned    1.80, 1.80 A)
 &rst
  ixpk= 1377, nxpk= 10, iat= 910, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  H            62 THR  H           5.00    (#   1378:10  Preassigned    3.55, 3.55 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=1119, 929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 MET  HA           62 THR  H           5.00    (#   1380:10  Preassigned    3.87, 3.87 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=1136, 929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 THR  HA           62 THR  H           4.00    (#   1382:10  Preassigned    3.03, 3.03 A)
 &rst
  ixpk= 1382, nxpk= 10, iat= 931, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 THR  HB           62 THR  H           4.00    (#   1383:10  Preassigned    3.93, 3.93 A)
 &rst
  ixpk= 1383, nxpk= 10, iat= 933, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  HA           62 THR  H           4.00    (#   1384:10  Preassigned    3.25, 3.25 A)
 &rst
  ixpk= 1384, nxpk= 10, iat= 893, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 ILE  HA           62 THR  H           4.00    (#   1385:10  Preassigned    3.17, 3.17 A)
 &rst
  ixpk= 1385, nxpk= 10, iat= 912, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  QB           62 THR  H           4.00    (#   1386:10  Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   61 ILE  HB           62 THR  H           4.00    (#   1387:10  Preassigned    3.24, 3.24 A)
 &rst
  ixpk= 1387, nxpk= 10, iat= 914, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 THR  HG2          62 THR  H           4.00    (#   1388:10  Preassigned    2.71, 3.63 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 936, 937,
 &end
#
#   61 ILE  QG2          62 THR  H           4.00    (#   1389:10  Preassigned    4.57, 4.96 A)
 &rst
  ixpk= 1389, nxpk= 10, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 916, 917, 918,
 &end
#
#   61 ILE  QD1          62 THR  H           4.00    (#   1390:10  Preassigned    4.47, 5.16 A)
# BIN 4.8 up to 5
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 923, 924, 925,
 &end
#
#   75 ILE  QG2          62 THR  H           5.00    (#   1391:10  Preassigned    4.92, 5.85 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1106,1107,1108,
 &end
#
#   90 GLU  H            89 GLY  H           5.00    (#   1392:10  Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=1330,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HA           89 GLY  H           4.00    (#   1394:10  Preassigned    3.43, 3.43 A)
 &rst
  ixpk= 1394, nxpk= 10, iat= 686,1323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 GLY  HA3          89 GLY  H           4.00    (#   1395:10  Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=1326,1323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 VAL  HA           89 GLY  H           3.00    (#   1396:10  Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 1396, nxpk= 10, iat=1309,1323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          89 GLY  H           3.00    (#   1397:10  Preassigned    2.50, 2.50 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=1325,1323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 TYR  HB+          89 GLY  H           5.00    (#   1399:10  Preassigned    2.48, 3.07 A)
# CHANGED TO HB3
 &rst
  ixpk= 1399, nxpk= 10, iat=  1291,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   44 PRO  HB+          89 GLY  H           4.00    (#   1400:10  Preassigned    3.07, 3.84 A)
# CHANGED TO HB3
# BIN 5	
 &rst
  ixpk= 1400, nxpk= 10, iat=  678,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   44 PRO  HG-          89 GLY  H           4.00    (#   1401:10  Preassigned    2.52, 3.31 A)
# CHANGE TO HG2
 &rst
  ixpk= 1401, nxpk= 10, iat=  674,1323, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   46 ARG  HB-          89 GLY  H           5.00    (#   1402:10  Preassigned    5.33, 5.99 A)
# CHANGE TO ARG HB2
#&rst
# ixpk= 1402, nxpk= 10, iat=  704,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
#&end
#
#   46 ARG  HG+          89 GLY  H           5.00    (#   1403:10  Preassigned    3.87, 4.69 A)
# CHANGED TO R46 HG2
 &rst
  ixpk= 1403, nxpk= 10, iat=  707,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   88 VAL  HB           89 GLY  H           5.00    (#   1404:10  Preassigned    4.66, 4.66 A)
 &rst
  ixpk= 1404, nxpk= 10, iat=1311,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ILE  QG2          89 GLY  H           6.00    (#   1405:10  Preassigned    6.80, 7.28 A)
#&rst
# ixpk= 1405, nxpk= 10, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
#igr1=1273,1274,1275,
#&end
#
#   88 VAL  QG2          89 GLY  H           5.00    (#   1406:10  Preassigned    4.69, 5.32 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1317,1318,1319,
 &end
#
#   43 ILE  QG2          89 GLY  H           6.00    (#   1407:10  Preassigned    4.95, 5.84 A)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 657, 658, 659,
 &end
#
#   88 VAL  QG1          89 GLY  H           4.00    (#   1408:10  Preassigned    4.09, 4.69 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1313,1314,1315,
 &end
#
#   64 ASN  HB-          64 ASN  HD22        5.00    (#   1440:10  Preassigned    2.77, 3.21 A)
# CHANGED TO HB2
 &rst
  ixpk= 1440, nxpk= 10, iat=  961, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   97 GLN  H            84 ASN  HD21        6.00    (#   1450:10  Preassigned    3.40, 3.40 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=1464,1243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 ASN  HB+          84 ASN  HD21        4.00    (#   1453:10  Preassigned    3.70, 3.80 A)
# CHANGED TO HB2
 &rst
  ixpk= 1453, nxpk= 10, iat=  1238,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   84 ASN  HB-          84 ASN  HD21        4.00    (#   1454:10  Preassigned    3.70, 3.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 1454, nxpk= 10, iat=  1239,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  HG1+         84 ASN  HD21        5.00    (#   1455:10  Preassigned    5.55, 5.79 A)
# CHANGED TO HG13
#&rst
# ixpk= 1455, nxpk= 10, iat=  1278,1243, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
#&end
#
#   79 LEU  HB+          84 ASN  HD21        5.00    (#   1456:10  Preassigned    3.00, 3.58 A)
# CHANGED TO HB2
 &rst
  ixpk= 1456, nxpk= 10, iat=  1172,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  HB-          84 ASN  HD21        5.00    (#   1457:10  Preassigned    3.00, 3.58 A)
# CHANGED TO HB3
 &rst
  ixpk= 1457, nxpk= 10, iat=  1173,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  QD2          84 ASN  HD21        5.00    (#   1458:10  Preassigned    4.16, 5.12 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1181,1182,1183,
 &end
#
#   94 GLN  QG           94 GLN  HE22        5.00    (#   1462:10  Preassigned    2.26, 2.67 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1410,1411,
 &end
#
#   78 GLN  HG3          78 GLN  HE22        4.00    (#   1469:10  Preassigned    2.37, 2.37 A)
 &rst
  ixpk= 1469, nxpk= 10, iat=1159,1164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HG2          78 GLN  HE22        5.00    (#   1470:10  Preassigned    3.11, 3.69 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 431, 432, 433,
 &end
#
#   29 VAL  H            28 THR  H           6.00    (#   1478:10  Preassigned    4.48, 4.48 A)
 &rst
  ixpk= 1478, nxpk= 10, iat= 439, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HA           28 THR  H           4.00    (#   1479:10  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 1479, nxpk= 10, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ASP  H            28 THR  H           4.00    (#   1480:10  Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 1480, nxpk= 10, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  H            28 THR  H           5.00    (#   1481:10  Preassigned    2.77, 2.77 A)
 &rst
  ixpk= 1481, nxpk= 10, iat= 378, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 HIS  H            28 THR  H           5.00    (#   1483:10  Preassigned    2.61, 2.61 A)
 &rst
  ixpk= 1483, nxpk= 10, iat= 396, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 THR  HA           28 THR  H           4.00    (#   1486:10  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 1486, nxpk= 10, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HB           28 THR  H           5.00    (#   1488:10  Preassigned    3.89, 3.89 A)
 &rst
  ixpk= 1488, nxpk= 10, iat= 429, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 SER  QB           28 THR  H           4.00    (#   1489:10  Preassigned    3.87, 4.18 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 382, 383,
 &end
#
#   27 ASP  HB2          28 THR  H           5.00    (#   1490:10  Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 1490, nxpk= 10, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ASP  HB3          28 THR  H           5.00    (#   1491:10  Preassigned    4.51, 4.51 A)
 &rst
  ixpk= 1491, nxpk= 10, iat= 418, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 THR  HG2          28 THR  H           4.00    (#   1492:10  Preassigned    3.51, 4.15 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 431, 432, 433,
 &end
#
#   97 GLN  QG           98 LYS  H           5.00    (#   1530:10  Preassigned    3.95, 4.50 A)
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1,1481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1471,1472,
 &end
#
#   99 GLY  H            98 LYS  H           6.00    (#   1531:10  Preassigned    4.27, 4.27 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=1503,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 TRP  HE1          98 LYS  H           6.00    (#   1532:10  Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 1532, nxpk= 10, iat=1430,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 TRP  H            96 PHE  H           5.00    (#   1533:10  Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 1533, nxpk= 10, iat=1420,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 TRP  HE3          96 PHE  H           6.00    (#   1534:10  Preassigned    3.56, 3.56 A)
 &rst
  ixpk= 1534, nxpk= 10, iat=1439,1444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 HIS  HB+          17 TRP  HE1         5.00    (#   1535:10  Preassigned    2.73, 3.42 A)
# CHANGED TO HB2
 &rst
  ixpk= 1535, nxpk= 10, iat=  1390, 268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   43 ILE  QD1          43 ILE  H           4.00    (#   1537:10  Preassigned    4.14, 4.50 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 664, 665, 666,
 &end
#
#   19 ARG  QG           20 ALA  H           4.00    (#   1538:10  Preassigned    4.37, 4.67 A)
# BIN 5
 &rst
  ixpk= 1538, nxpk= 10, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 311, 312,
 &end
#
#   42 ARG  QG           43 ILE  H           4.00    (#   1539:10  Preassigned    2.47, 3.07 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 634, 635,
 &end
#
#   65 PRO  QG           43 ILE  H           4.00    (#   1540:10  Preassigned    4.34, 5.15 A)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 975, 976,
 &end
#
#   65 PRO  QB           43 ILE  H           5.00    (#   1541:10  Preassigned    3.99, 4.78 A)
 &rst
  ixpk= 1541, nxpk= 10, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 978, 979,
 &end
#
#   93 HIS  HB+          86 ILE  H           6.00    (#   1542:10  Preassigned    4.02, 4.62 A)
# CHANGED TO HB2
 &rst
  ixpk= 1542, nxpk= 10, iat=  1390,1267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   93 HIS  HB-          86 ILE  H           5.00    (#   1543:10  Preassigned    4.02, 4.62 A)
# CHANGED TO HB3
 &rst
  ixpk= 1543, nxpk= 10, iat=  1391,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   57 VAL  QG1          49 ALA  H           4.00    (#   1544:10  Preassigned    3.34, 4.14 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 854, 855, 856,
 &end
#
#   38 THR  HA           39 LYS  H           3.00    (#   1545:10  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 1545, nxpk= 10, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 THR  HA           39 LYS  H           3.00    (#   1546:10  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 1546, nxpk= 10, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 THR  HA           39 LYS  H           3.00    (#   1547:10  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 1547, nxpk= 10, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 LYS  HA           39 LYS  H           4.00    (#   1548:10  Preassigned    2.82, 2.82 A)
 &rst
  ixpk= 1548, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 PRO  HG+          39 LYS  H           5.00    (#   1549:10  Preassigned    5.85, 6.21 A)
#&rst
# ixpk= 1549, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
#igr1= 607, 608,
#&end
#
#   33 VAL  HB           18 LYS  H           5.00    (#   1551:10  Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 1551, nxpk= 10, iat= 507, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 GLU  HG+          18 LYS  H           5.00    (#   1552:10  Preassigned    4.84, 5.49 A)
# CHANGED TO GLU32 HG2
 &rst
  ixpk= 1552, nxpk= 10, iat=  495, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.01,
 &end
#
#   85 ILE  HG12         95 TRP  H           5.00    (#   1553:10  Preassigned    5.41, 5.41 A)
 &rst
  ixpk= 1553, nxpk= 10, iat=1258,1420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ILE  HG13         95 TRP  H           6.00    (#   1554:10  Preassigned    3.96, 3.96 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=1259,1420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 ILE  HG1-         95 TRP  H           5.00    (#   1555:10  Preassigned    3.36, 4.24 A)
# CHANGED TO HG12
 &rst
  ixpk= 1555, nxpk= 10, iat=  1277,1420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   86 ILE  QD1          95 TRP  H           6.00    (#   1556:10  Preassigned    4.57, 5.00 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1280,1281,1282,
 &end
#
#   86 ILE  HG1+         95 TRP  H           5.00    (#   1557:10  Preassigned    3.36, 4.24 A)
# CHANGED TO HG13
 &rst
  ixpk= 1557, nxpk= 10, iat=  1278,1420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   99 GLY  HA3          79 LEU  H           6.00    (#   1558:10  Preassigned    6.41, 6.41 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=1506,1168, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 TYR  HB-          46 ARG  H           4.00    (#   1560:10  Preassigned    2.82, 3.36 A)
# CHANGED TO HB2
 &rst
  ixpk= 1560, nxpk= 10, iat=  1290, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   56 ASP  HB-          58 ALA  H           6.00    (#   1561:10  Preassigned    5.19, 5.22 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 1561, nxpk= 10, iat=  841, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   86 ILE  HB           87 TYR  H           5.00    (#   1562:10  Preassigned    4.00, 4.00 A)
 &rst
  ixpk= 1562, nxpk= 10, iat=1271,1286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 GLU  HA           77 MET  H           3.00    (#   1564:10  Preassigned    2.11, 2.11 A)
 &rst
  ixpk= 1564, nxpk= 10, iat=1121,1134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 VAL  HA           77 MET  H           4.00    (#   1565:10  Preassigned    3.82, 3.82 A)
 &rst
  ixpk= 1565, nxpk= 10, iat= 457,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HB-          77 MET  H           4.00    (#   1566:10  Preassigned    3.76, 4.01 A)
# CHANGED TO HB2
 &rst
  ixpk= 1566, nxpk= 10, iat=  1138,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HB+          77 MET  H           4.00    (#   1567:10  Preassigned    3.76, 4.01 A)
# CHANGED TO HB3
 &rst
  ixpk= 1567, nxpk= 10, iat=  1139,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   87 TYR  HB+          88 VAL  H           4.00    (#   1568:10  Preassigned    2.86, 3.40 A)
# CHANGED TO HB3
 &rst
  ixpk= 1568, nxpk= 10, iat=  1291,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   50 HIS  HB+          52 ALA  H           6.00    (#   1569:10  Preassigned    5.41, 5.64 A)
# CHANGED TO H50 HB3
 &rst
  ixpk= 1569, nxpk= 10, iat=  765, 784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   11 ASP  HA           13 ALA  H           5.00    (#   1570:10  Preassigned    3.79, 3.79 A)
 &rst
  ixpk= 1570, nxpk= 10, iat= 160, 192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 ASP  HB-          13 ALA  H           4.00    (#   1571:10  Preassigned    3.86, 4.21 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   78 GLN  HB-          29 VAL  H           3.00    (#   1572:10  Preassigned    3.70, 4.46 A)
# CHANGED TO HB2
# BIN 4
 &rst
  ixpk= 1572, nxpk= 10, iat=  1155, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   60 LEU  HA           78 GLN  H           4.00    (#   1573:10  Preassigned    3.62, 3.62 A)
 &rst
  ixpk= 1573, nxpk= 10, iat= 893,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 MET  HA           42 ARG  H           3.00    (#   1574:10  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1574, nxpk= 10, iat= 133, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 GLY  HA-          68 GLU  H           4.00    (#   1575:10  Preassigned    2.24, 3.01 A)
# CHANGED TO HA2
 &rst
  ixpk= 1575, nxpk= 10, iat=  1068,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HB+          92 LYS  H           4.00    (#   1579:10  Preassigned    3.24, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 1579, nxpk= 10, iat=  1369,1364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   55 VAL  QQG          55 VAL  H           3.00    (#   1580:10  Preassigned    2.61, 4.14 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   55 VAL  QQG          55 VAL  H           3.00    (#   1581:10  Preassigned    2.61, 4.14 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   48 VAL  QG1          55 VAL  H           4.00    (#   1582:10  Preassigned    3.91, 4.50 A)
 &rst
  ixpk= 1582, nxpk= 10, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 740, 741, 742,
 &end
#
#   46 ARG  HG+          47 ALA  H           4.00    (#   1583:10  Preassigned    3.56, 4.09 A)
# CHANGED TO R46 HG2
# BIN 4.5
 &rst
  ixpk= 1583, nxpk= 10, iat=  707, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 &end
#
#   19 ARG  QG           33 VAL  H           5.00    (#   1584:10  Preassigned    5.23, 6.03 A)
#&rst
# ixpk= 1584, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
#igr1= 311, 312,
#&end
#
#   48 VAL  HA           57 VAL  H           4.00    (#   1586:10  Preassigned    3.12, 3.12 A)
 &rst
  ixpk= 1586, nxpk= 10, iat= 736, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HG1+         67 MET  H           4.00    (#   1587:10  Preassigned    2.21, 2.70 A)
# CHANGE TO ILE HG13
 &rst
  ixpk= 1587, nxpk= 10, iat=  662, 999, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   66 THR  HA           67 MET  H           3.00    (#   1588:10  Preassigned    1.96, 1.96 A)
 &rst
  ixpk= 1588, nxpk= 10, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 MET  HA           67 MET  H           5.00    (#   1589:10  Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HE3          32 GLU  H           6.00    (#   1593:10  Preassigned    3.25, 3.25 A)
 &rst
  ixpk= 1593, nxpk= 10, iat= 277, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  QD           32 GLU  H           5.00    (#   1594:10  Preassigned    4.70, 5.31 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 314, 315,
 &end
#
#   32 GLU  QB           32 GLU  H           5.00    (#   1595:10  Preassigned    3.11, 3.25 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 492, 493,
 &end
#
#   32 GLU  HG-          32 GLU  H           4.00    (#   1596:10  Preassigned    4.50, 4.61 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 1596, nxpk= 10, iat=  496, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HB+          32 GLU  H           4.00    (#   1597:10  Preassigned    2.55, 3.28 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 1597, nxpk= 10, iat=  309, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   29 VAL  HB           30 VAL  H           4.00    (#   1598:10  Preassigned    4.07, 4.07 A)
 &rst
  ixpk= 1598, nxpk= 10, iat= 443, 455, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 PRO  HB+          30 VAL  H           4.00    (#   1599:10  Preassigned    4.27, 4.89 A)
# CHANGED assignments to T66 to I43 HG+
#&rst
# ixpk= 1599, nxpk= 10, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
#igr1= 661, 662,
#&end
#
#   26 HIS  HB+          27 ASP  H           6.00    (#   1600:10  Preassigned    4.21, 4.38 A)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 400, 401,
 &end
#
#   28 THR  HG2          27 ASP  H           6.00    (#   1601:10  Preassigned    5.26, 6.19 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 431, 432, 433,
 &end
#
#   97 GLN  HA           97 GLN  HE21        6.00    (#   1602:10  Preassigned    3.81, 3.81 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=1466,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 GLN  HA           97 GLN  HE22        6.00    (#   1603:10  Preassigned    4.07, 4.07 A)
 &rst
  ixpk= 1603, nxpk= 10, iat=1466,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 PRO  HG-          97 GLN  HE22        5.00    (#   1604:10  Preassigned    2.74, 3.34 A)
# CHANGED TO HG3
 &rst
  ixpk= 1604, nxpk= 10, iat=  1206,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   97 GLN  HB-          97 GLN  HE22        5.00    (#   1605:10  Preassigned    4.49, 4.54 A)
# CHANGED TO HB3
 &rst
  ixpk= 1605, nxpk= 10, iat=  1469,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   97 GLN  HB-          97 GLN  HE21        5.00    (#   1606:10  Preassigned    4.77, 4.98 A)
# CHANGED TO HB3
 &rst
  ixpk= 1606, nxpk= 10, iat=  1469,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   81 PRO  HG-          97 GLN  HE21        6.00    (#   1607:10  Preassigned    4.18, 4.84 A)
# CHANGED TO HG3
 &rst
  ixpk= 1607, nxpk= 10, iat=  1206,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 &end
#
#   98 LYS  H            97 GLN  HE21        5.00    (#   1608:10  Preassigned    3.31, 3.31 A)
 &rst
  ixpk= 1608, nxpk= 10, iat=1481,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 VAL  HB           54 ASP  H           5.00    (#   1609:10  Preassigned    4.17, 4.17 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 738, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 PRO  HD2          41 CYS  H           6.00    (#   1610:10  Preassigned    5.14, 5.14 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 604, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ASN  HB+          64 ASN  HD22        5.00    (#   1611:10  Preassigned    2.77, 3.21 A)
# CHANGED TO HB3
 &rst
  ixpk= 1611, nxpk= 10, iat=  962, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   85 ILE  QG2          48 VAL  H           5.00    (#   1613:10  Preassigned    4.62, 5.26 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1254,1255,1256,
 &end
#
#   85 ILE  QD1          48 VAL  H           4.00    (#   1614:10  Unique         4.41, 5.14 A)
# BIN 4.8 up to 5
 &rst
  ixpk= 1614, nxpk= 10, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1=1261,1262,1263,
 &end
#
#   82 GLY  HA-          84 ASN  HD21        5.00    (#   1615:10  Preassigned    5.37, 5.45 A)
# CHANGED TO HA3
 &rst
  ixpk= 1615, nxpk= 10, iat=  1218,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   33 VAL  QG2          16 THR  H           5.00    (#   1616:10  Preassigned    5.67, 6.18 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 513, 514, 515,
 &end
#
#   30 VAL  QG1          28 THR  H           5.00    (#   1617:10  Preassigned    5.41, 6.48 A)
 &rst
  ixpk= 1617, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 461, 462, 463,
 &end
#
#   62 THR  HG2          76 GLU  H           4.00    (#   1618:10  Preassigned    2.04, 2.79 A)
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 936, 937,
 &end
#
#   88 VAL  QG2          87 TYR  H           5.00    (#   1619:10  Preassigned    5.51, 6.33 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1317,1318,1319,
 &end
#
#   30 VAL  H            31 MET  H           5.00    (#   1620:10  Preassigned    4.46, 4.46 A)
 &rst
  ixpk= 1620, nxpk= 10, iat= 455, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 VAL  HA           31 MET  H           3.00    (#   1622:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1622, nxpk= 10, iat= 457, 471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 VAL  HA           31 MET  H           3.00    (#   1623:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1623, nxpk= 10, iat= 457, 471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 THR  H            25 GLY  H           6.00    (#   1625:10  Preassigned    4.29, 4.29 A)
 &rst
  ixpk= 1625, nxpk= 10, iat= 425, 389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 TRP  HZ2          23 ASP  H           6.00    (#   1627:10  Preassigned    4.78, 4.78 A)
 &rst
  ixpk= 1627, nxpk= 10, iat=1433, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 VAL  HA           30 VAL  H           3.00    (#   1628:10  Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 1628, nxpk= 10, iat= 441, 455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  HG-          15 PHE  H           5.00    (#   1629:10  Preassigned    5.14, 5.67 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 209, 210,
 &end
#
#   91 LEU  QD1          15 PHE  H           6.00    (#   1630:10  Preassigned    5.23, 6.22 A)
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          15 PHE  H           6.00    (#   1631:10  Preassigned    4.66, 5.54 A)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1358,1359,1360,
 &end
#
#   44 PRO  HG+          12 LYS  H           5.00    (#   1634:10  Preassigned    4.37, 5.02 A)
# CHANGED TO HG3
 &rst
  ixpk= 1634, nxpk= 10, iat=  675, 170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   61 ILE  HB           78 GLN  H           4.00    (#   1635:10  Preassigned    4.44, 4.44 A)
#&rst
# ixpk= 1635, nxpk= 10, iat= 914,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  QD1          17 TRP  HE1         4.00    (#   1637:10  Preassigned    3.10, 3.61 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1354,1355,1356,
 &end
#
#   86 ILE  QG2          88 VAL  H           5.00    (#   1638:10  Preassigned    4.48, 5.27 A)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1273,1274,1275,
 &end
#
#   87 TYR  HB-          88 VAL  H           5.00    (#   1639:10  Preassigned    2.86, 3.40 A)
# CHANGED TO HB2
 &rst
  ixpk= 1639, nxpk= 10, iat=  1290,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   57 VAL  QG1          50 HIS  H           5.00    (#   1640:10  Preassigned    5.88, 6.49 A)
# REMOVED
#&rst
# ixpk= 1640, nxpk= 10, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
#igr1= 854, 855, 856,
#&end
#
#   28 THR  HG2          26 HIS  H           6.00    (#   1642:10  Preassigned    5.03, 5.81 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 431, 432, 433,
 &end
#
#   90 GLU  QG           90 GLU  H           4.00    (#   1643:10  Preassigned    4.61, 4.83 A)
# BIN Sp.Dif. 4.5 to 5.0
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1337,1338,
 &end
#
#   90 GLU  HB+          90 GLU  H           4.00    (#   1644:10  Preassigned    3.08, 3.10 A)
# CHANGED TO HB3
 &rst
  ixpk= 1644, nxpk= 10, iat=  1335,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   12 LYS  QB           90 GLU  H           4.00    (#   1645:10  Preassigned    2.45, 3.29 A)
 &rst
  ixpk= 1645, nxpk= 10, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 174, 175,
 &end
#
#   97 GLN  HA           82 GLY  H           6.00    (#   1646:10  Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=1466,1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 MET  HG-          78 GLN  H           4.00    (#   1647:10  Preassigned    4.20, 4.65 A)
# CHANGED TO HG3
 &rst
  ixpk= 1647, nxpk= 10, iat=  1142,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   29 VAL  H            77 MET  H           4.00    (#   1648:10  Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 1648, nxpk= 10, iat= 439,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 MET  HB2          67 MET  H           4.00    (#   1649:10  Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1649, nxpk= 10, iat=1003, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HB+          59 MET  H           4.00    (#   1650:10  Preassigned    3.07, 3.87 A)
# CHANGED TO HB3
# BIN 5
 &rst
  ixpk= 1650, nxpk= 10, iat=  1139, 874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   77 MET  HG-          59 MET  H           5.00    (#   1651:10  Preassigned    5.34, 5.68 A)
# CHANGED TO HG3
 &rst
  ixpk= 1651, nxpk= 10, iat=  1142, 874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   48 VAL  HB           52 ALA  H           6.00    (#   1652:10  Preassigned    4.62, 4.62 A)
 &rst
  ixpk= 1652, nxpk= 10, iat= 738, 784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 ILE  H            48 VAL  H           5.00    (#   1653:10  Preassigned    4.52, 4.52 A)
 &rst
  ixpk= 1653, nxpk= 10, iat=1267, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 ASN  H            84 ASN  HD22        5.00    (#   1654:10  Preassigned    3.03, 3.03 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 ASN  HB+          84 ASN  HD22        5.00    (#   1655:10  Preassigned    2.82, 3.26 A)
# CHANGED TO HB2
 &rst
  ixpk= 1655, nxpk= 10, iat=  1238,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   84 ASN  HB-          84 ASN  HD22        4.00    (#   1656:10  Preassigned    2.82, 3.26 A)
# CHANGED TO HB3
 &rst
  ixpk= 1656, nxpk= 10, iat=  1239,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          84 ASN  HD22        5.00    (#   1657:10  Preassigned    3.47, 3.90 A)
# CHANGED TO HB2
 &rst
  ixpk= 1657, nxpk= 10, iat=  1172,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  QD2          84 ASN  HD22        5.00    (#   1658:10  Preassigned    3.80, 4.83 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1181,1182,1183,
 &end
#
#   97 GLN  H            84 ASN  HD22        5.00    (#   1659:10  Preassigned    3.64, 3.64 A)
 &rst
  ixpk= 1659, nxpk= 10, iat=1464,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HB+          47 ALA  H           5.00    (#   1660:10  Preassigned    4.24, 4.63 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 1660, nxpk= 10, iat=  840, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   17 TRP  HE3          18 LYS  H           5.00    (#   1661:10  Preassigned    3.48, 3.48 A)
 &rst
  ixpk= 1661, nxpk= 10, iat= 277, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 HIS  HB+          28 THR  H           6.00    (#   1662:10  Preassigned    3.62, 4.11 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 400, 401,
 &end
#
#   24 SER  HA           28 THR  H           5.00    (#   1663:10  Preassigned    5.15, 5.15 A)
# BIN 6
 &rst
  ixpk= 1663, nxpk= 10, iat= 380, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.30,  &end
#
#   95 TRP  HD1          97 GLN  H           6.00    (#   1665:10  Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 1665, nxpk= 10, iat=1428,1464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HB+          15 PHE  H           5.00    (#   1667:10  Preassigned    4.32, 4.49 A)
# CHANGED TO HB3
 &rst
  ixpk= 1667, nxpk= 10, iat=  207, 224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   37 GLY  HA+          11 ASP  H           5.00    (#   1669:10  Preassigned    5.01, 5.77 A)
# CHANGED TO HA2
# BIN 5.2
 &rst
  ixpk= 1669, nxpk= 10, iat=  562, 158, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.50,
 &end
#
#   10 CYS  HB+          11 ASP  H           4.00    (#   1670:10  Preassigned    2.98, 3.46 A)
# CHANGED TO HB3
 &rst
  ixpk= 1670, nxpk= 10, iat=  153, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   96 PHE  H            95 TRP  H           5.00    (#   1672:10  Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=1444,1420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 SER  H            37 GLY  H           5.00    (#   1673:10  Preassigned    3.26, 3.26 A)
 &rst
  ixpk= 1673, nxpk= 10, iat= 549, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 GLY  HA+          37 GLY  H           4.00    (#   1676:10  Preassigned    2.71, 2.90 A)
# CHANGED TO HA2
 &rst
  ixpk= 1676, nxpk= 10, iat=  562, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   37 GLY  HA-          37 GLY  H           4.00    (#   1677:10  Preassigned    2.71, 2.90 A)
# CHANGED TO HA3
 &rst
  ixpk= 1677, nxpk= 10, iat=  563, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   14 LYS  HB-          37 GLY  H           5.00    (#   1678:10  Preassigned    3.86, 4.01 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 1678, nxpk= 10, iat=  206, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   29 VAL  QG1          95 TRP  HE1         5.00    (#   1679:10  Preassigned    3.36, 4.24 A)
 &rst
  ixpk= 1679, nxpk= 10, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 447,
 &end
#
#   98 LYS  H            95 TRP  HE1         4.00    (#    134:1   Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 134, nxpk= 1, iat=1481,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   97 GLN  H            95 TRP  HE1         5.00    (#    135:1   Preassigned    4.61, 4.61 A)
 &rst
  ixpk= 135, nxpk= 1, iat=1464,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 TRP  HZ2          95 TRP  HE1         3.00    (#    136:1   Preassigned    2.88, 2.88 A)
 &rst
  ixpk= 136, nxpk= 1, iat=1433,1430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 TRP  HD1          95 TRP  HE1         3.00    (#    139:1   Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 139, nxpk= 1, iat=1428,1430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 GLN  HA           95 TRP  HE1         3.00    (#    143:1   Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 143, nxpk= 1, iat=1466,1430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 GLN  QG           95 TRP  HE1         4.00    (#    146:1   Preassigned    3.93, 4.20 A)
 &rst
  ixpk= 146, nxpk= 1, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   79 LEU  HB-          95 TRP  HE1         5.00    (#    150:1   Preassigned    3.36, 3.89 A)
# CHANGED TO HB3
 &rst
  ixpk= 150, nxpk= 1, iat=  1173,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   29 VAL  QG2          95 TRP  HE1         3.00    (#    152:1   Preassigned    1.97, 2.70 A)
 &rst
  ixpk= 152, nxpk= 1, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 449, 450, 451,
 &end
#
#   79 LEU  HB+          95 TRP  HE1         4.00    (#    164:1   Preassigned    3.36, 3.89 A)
# CHANGED TO HB2
 &rst
  ixpk= 164, nxpk= 1, iat=  1172,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          95 TRP  HE1         4.00    (#    169:1   Preassigned    3.36, 3.89 A)
# CHANGED TO HB2
 &rst
  ixpk= 169, nxpk= 1, iat=  1172,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   91 LEU  HG           17 TRP  HE1         4.00    (#    170:1   Preassigned    2.80, 2.80 A)
 &rst
  ixpk= 170, nxpk= 1, iat=1352, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HD1          17 TRP  HE1         3.00    (#    172:1   Preassigned    2.56, 2.56 A)
 &rst
  ixpk= 172, nxpk= 1, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 TRP  HZ2          17 TRP  HE1         3.00    (#    173:1   Preassigned    2.87, 2.87 A)
 &rst
  ixpk= 173, nxpk= 1, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 LEU  QD2          17 TRP  HE1         5.00    (#    176:1   Preassigned    3.49, 4.34 A)
 &rst
  ixpk= 176, nxpk= 1, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#   48 VAL  H            85 ILE  H           3.00    (#    221:1   Preassigned    2.59, 2.59 A)
 &rst
  ixpk= 221, nxpk= 1, iat= 734,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:222      85 ILE  H           4.00    (#    222:1   Single Ambig)
 &rst
  ixpk= 222, nxpk= 1, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1267,1234,
 &end
#
#   84 ASN  HA           85 ILE  H           3.00    (#    225:1   Preassigned    2.08, 2.08 A)
 &rst
  ixpk= 225, nxpk= 1, iat=1236,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           85 ILE  H           4.00    (#    226:1   Preassigned    4.18, 4.18 A)
 &rst
  ixpk= 226, nxpk= 1, iat= 726,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 ALA  HA           85 ILE  H           4.00    (#    228:1   Preassigned    3.45, 3.45 A)
 &rst
  ixpk= 228, nxpk= 1, iat= 752,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ILE  HA           85 ILE  H           4.00    (#    231:1   Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 231, nxpk= 1, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HB+          85 ILE  H           4.00    (#    234:1   Preassigned    3.05, 3.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 234, nxpk= 1, iat=  1238,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   84 ASN  HB-          85 ILE  H           3.00    (#    235:1   Preassigned    3.05, 3.17 A)
# CHANGED TO HB3
 &rst
  ixpk= 235, nxpk= 1, iat=  1239,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   85 ILE  HB           85 ILE  H           3.00    (#    236:1   Preassigned    2.36, 2.36 A)
 &rst
  ixpk= 236, nxpk= 1, iat=1252,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG12         85 ILE  H           3.00    (#    237:1   Preassigned    3.90, 3.90 A)
# CHANGED TO HG13 see next peak
 &rst
  ixpk= 237, nxpk= 1, iat=1259,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG13         85 ILE  H           4.00    (#    240:1   Unique         2.86, 2.86 A)
# CHANGED TO HG12 see above
 &rst
  ixpk= 240, nxpk= 1, iat=1258,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ILE  HG1-         85 ILE  H           4.00    (#    241:1   Unique         4.44, 4.74 A)
# CHANGED TO HG12
 &rst
  ixpk= 241, nxpk= 1, iat=  1277,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   85 ILE  QG2          85 ILE  H           4.00    (#    242:1   Preassigned    4.41, 4.57 A)
 &rst
  ixpk= 242, nxpk= 1, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   42 ARG  H            10 CYS  H           4.00    (#    269:1   Preassigned    3.74, 3.74 A)
 &rst
  ixpk= 269, nxpk= 1, iat= 627, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HZ           10 CYS  H           4.00    (#    270:1   Preassigned    4.06, 4.06 A)
 &rst
  ixpk= 270, nxpk= 1, iat= 236, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 MET  HA           10 CYS  H           4.00    (#    272:1   Preassigned    2.26, 2.26 A)
 &rst
  ixpk= 272, nxpk= 1, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 CYS  HA           10 CYS  H           4.00    (#    276:1   Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 276, nxpk= 1, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HA           10 CYS  H           4.00    (#    278:1   Preassigned    3.77, 3.77 A)
 &rst
  ixpk= 278, nxpk= 1, iat= 653, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PRO  HD3          10 CYS  H           4.00    (#    279:1   Unique         3.41, 3.41 A)
 &rst
  ixpk= 279, nxpk= 1, iat= 672, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS  HB+          10 CYS  H           4.00    (#    281:1   Preassigned    2.74, 3.50 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 281, nxpk= 1, iat=  621, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   41 CYS  HB-          10 CYS  H           4.00    (#    283:1   Preassigned    2.74, 3.50 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 283, nxpk= 1, iat=  622, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB+          10 CYS  H           4.00    (#    285:1   Preassigned    2.49, 3.09 A)
# CHANGED TO HB3
 &rst
  ixpk= 285, nxpk= 1, iat=  153, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB-          10 CYS  H           4.00    (#    286:1   Preassigned    2.49, 3.09 A)
# CHANGED TO HB2
 &rst
  ixpk= 286, nxpk= 1, iat=  152, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   32 GLU  HG+          32 GLU  H           4.00    (#    288:1   Preassigned    4.50, 4.61 A)
# CHANGED TO GLU32 HG2
# BIN 5
 &rst
  ixpk= 288, nxpk= 1, iat=  495, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   32 GLU  HG-          32 GLU  H           4.00    (#    289:1   Preassigned    4.50, 4.61 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 289, nxpk= 1, iat=  496, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   42 ARG  H            10 CYS  H           4.00    (#    294:1   Preassigned    3.74, 3.74 A)
 &rst
  ixpk= 294, nxpk= 1, iat= 627, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  H            32 GLU  H           5.00    (#    295:1   Preassigned    4.30, 4.30 A)
 &rst
  ixpk= 295, nxpk= 1, iat= 282, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 LYS  H            32 GLU  H           5.00    (#    296:1   Preassigned    4.30, 4.30 A)
 &rst
  ixpk= 296, nxpk= 1, iat= 282, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  H            32 GLU  H           3.00    (#    297:1   Preassigned    2.82, 2.82 A)
 &rst
  ixpk= 297, nxpk= 1, iat= 304, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 MET  H            32 GLU  H           4.00    (#    298:1   Unique         4.27, 4.27 A)
 &rst
  ixpk= 298, nxpk= 1, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HE3          32 GLU  H           4.00    (#    299:1   Preassigned    3.25, 3.25 A)
 &rst
  ixpk= 299, nxpk= 1, iat= 277, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 GLU  HA           32 GLU  H           4.00    (#    301:1   Preassigned    2.80, 2.80 A)
 &rst
  ixpk= 301, nxpk= 1, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 MET  HA           32 GLU  H           3.00    (#    303:1   Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 303, nxpk= 1, iat= 473, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 MET  HB+          32 GLU  H           3.00    (#    308:1   Preassigned    2.66, 3.22 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 308, nxpk= 1, iat=  475, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   32 GLU  QB           32 GLU  H           5.00    (#    309:1   Preassigned    3.11, 3.25 A)
 &rst
  ixpk= 309, nxpk= 1, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 492, 493,
 &end
#
#   31 MET  HG-          32 GLU  H           4.00    (#    311:1   Preassigned    3.80, 4.11 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 311, nxpk= 1, iat=  479, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   55 VAL  HB           49 ALA  H           4.00    (#    312:1   Unique         4.04, 4.04 A)
 &rst
  ixpk= 312, nxpk= 1, iat= 824, 750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 GLU  HG-          32 GLU  H           4.00    (#    313:1   Preassigned    4.50, 4.61 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 313, nxpk= 1, iat=  496, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  HB+          32 GLU  H           3.00    (#    314:1   Preassigned    2.55, 3.28 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 314, nxpk= 1, iat=  309, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   19 ARG  HB-          32 GLU  H           4.00    (#    315:1   Preassigned    2.55, 3.28 A)
# CHANGED TO ARG HB2
 &rst
  ixpk= 315, nxpk= 1, iat=  308, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   19 ARG  QG           32 GLU  H           4.00    (#    316:1   Preassigned    4.09, 4.57 A)
 &rst
  ixpk= 316, nxpk= 1, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 311, 312,
 &end
#
#   31 MET  HB-          32 GLU  H           4.00    (#    317:1   Preassigned    2.66, 3.22 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 317, nxpk= 1, iat=  476, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   33 VAL  QG1          32 GLU  H           5.00    (#    319:1   Unique         3.91, 4.80 A)
 &rst
  ixpk= 319, nxpk= 1, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 509, 510, 511,
 &end
#
#   48 VAL  H            49 ALA  H           5.00    (#    328:1   Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 328, nxpk= 1, iat= 734, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 VAL  HA           49 ALA  H           3.00    (#    330:1   Preassigned    2.08, 2.08 A)
 &rst
  ixpk= 330, nxpk= 1, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA  HA           49 ALA  H           4.00    (#    331:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 331, nxpk= 1, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 VAL  HB           49 ALA  H           3.00    (#    333:1   Preassigned    2.69, 2.69 A)
 &rst
  ixpk= 333, nxpk= 1, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA  QB           49 ALA  H           3.00    (#    334:1   Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 334, nxpk= 1, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 754, 755, 756,
 &end
#
#   52 ALA  QB           49 ALA  H           5.00    (#    335:1   Preassigned    3.43, 4.48 A)
 &rst
  ixpk= 335, nxpk= 1, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 788, 789, 790,
 &end
#
#   57 VAL  QG1          49 ALA  H           4.00    (#    336:1   Preassigned    3.34, 4.14 A)
 &rst
  ixpk= 336, nxpk= 1, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 854, 855, 856,
 &end
#
#   48 VAL  QG2          49 ALA  H           4.00    (#    337:1   Preassigned    3.72, 4.35 A)
 &rst
  ixpk= 337, nxpk= 1, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 744, 745, 746,
 &end
#
#   57 VAL  QG2          49 ALA  H           4.00    (#    339:1   Preassigned    4.13, 4.82 A)
 &rst
  ixpk= 339, nxpk= 1, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   48 VAL  HA           57 VAL  H           3.00    (#    384:1   Preassigned    3.12, 3.12 A)
 &rst
  ixpk= 384, nxpk= 1, iat= 736, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 THR  HB           77 MET  H           3.00    (#    385:1   Preassigned    3.35, 3.35 A)
# BIN 3.4
 &rst
  ixpk= 385, nxpk= 1, iat= 429,1134, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.80,  &end
#
#   76 GLU  QG           77 MET  H           4.00    (#    386:1   Preassigned    2.26, 2.39 A)
 &rst
  ixpk= 386, nxpk= 1, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1126,1127,
 &end
#
#   77 MET  HG+          77 MET  H           3.00    (#    387:1   Preassigned    2.81, 3.06 A)
# CHANGED TO HG2
 &rst
  ixpk= 387, nxpk= 1, iat=  1141,1134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   76 GLU  QB           77 MET  H           3.00    (#    389:1   Preassigned    3.30, 3.54 A)
# CHANGE TO HB3
 &rst
  ixpk= 389, nxpk= 1, iat=  1124,1134, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.67,
 &end
#
#   77 MET  HG-          77 MET  H           4.00    (#    391:1   Preassigned    2.81, 3.06 A)
# CHANGED TO HG3
 &rst
  ixpk= 391, nxpk= 1, iat=  1142,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HB-          77 MET  H           4.00    (#    392:1   Preassigned    3.76, 4.01 A)
# CHANGED TO HB2
 &rst
  ixpk= 392, nxpk= 1, iat=  1138,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   29 VAL  H            77 MET  H           3.00    (#    399:1   Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 399, nxpk= 1, iat= 439,1134, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:400       0 AMB  1-2:400     4.00    (#    400:1   Double Ambig)
 &rst
  ixpk= 400, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 836,1168,
 igr2= 848,1151,
 &end
#
#    0 AMB  1-1:404       0 AMB  1-2:404     3.00    (#    404:1   Double Ambig)
 &rst
  ixpk= 404, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 838,1121,
 igr2= 848,1134,
 &end
#
#   48 VAL  HA           57 VAL  H           3.00    (#    405:1   Preassigned    3.12, 3.12 A)
 &rst
  ixpk= 405, nxpk= 1, iat= 736, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HB+          57 VAL  H           4.00    (#    419:1   Preassigned    4.26, 4.34 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 419, nxpk= 1, iat=  840, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   56 ASP  HB+          57 VAL  H           4.00    (#    420:1   Preassigned    4.26, 4.34 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 420, nxpk= 1, iat=  840, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   56 ASP  HB-          57 VAL  H           4.00    (#    423:1   Preassigned    4.26, 4.34 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 423, nxpk= 1, iat=  841, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   57 VAL  HB           57 VAL  H           4.00    (#    425:1   Preassigned    3.57, 3.57 A)
 &rst
  ixpk= 425, nxpk= 1, iat= 852, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 ILE  HG12         77 MET  H           4.00    (#    427:1   Unique         3.58, 3.58 A)
 &rst
  ixpk= 427, nxpk= 1, iat= 920,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  QB           57 VAL  H           4.00    (#    428:1   Preassigned    3.75, 4.62 A)
 &rst
  ixpk= 428, nxpk= 1, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 728, 729, 730,
 &end
#
#   29 VAL  HB           77 MET  H           4.00    (#    429:1   Preassigned    3.62, 3.62 A)
 &rst
  ixpk= 429, nxpk= 1, iat= 443,1134, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 VAL  QG1          57 VAL  H           3.00    (#    430:1   Preassigned    2.35, 3.15 A)
 &rst
  ixpk= 430, nxpk= 1, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 854, 855, 856,
 &end
#
#   30 VAL  QG1          77 MET  H           4.00    (#    432:1   Unique         4.12, 4.72 A)
 &rst
  ixpk= 432, nxpk= 1, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   57 VAL  QG2          57 VAL  H           3.00    (#    434:1   Preassigned    2.43, 3.25 A)
 &rst
  ixpk= 434, nxpk= 1, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 858, 859, 860,
 &end
#
#   47 ALA  H            57 VAL  H           4.00    (#    435:1   Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 435, nxpk= 1, iat= 724, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 ALA  H            57 VAL  H           3.00    (#    436:1   Preassigned    2.73, 2.73 A)
 &rst
  ixpk= 436, nxpk= 1, iat= 864, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  H            78 GLN  H           4.00    (#    441:1   Unique         4.12, 4.12 A)
 &rst
  ixpk= 441, nxpk= 1, iat= 910,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 LEU  H            78 GLN  H           4.00    (#    442:1   Preassigned    4.25, 4.25 A)
# BIN SEQ. H-H add 0.5 Ang	
 &rst
  ixpk= 442, nxpk= 1, iat=1168,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 MET  H            78 GLN  H           3.00    (#    443:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 443, nxpk= 1, iat= 874,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 MET  HA           78 GLN  H           3.00    (#    444:1   Preassigned    2.28, 2.28 A)
 &rst
  ixpk= 444, nxpk= 1, iat=1136,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ALA  HA           78 GLN  H           5.00    (#    447:1   Preassigned    4.35, 4.35 A)
 &rst
  ixpk= 447, nxpk= 1, iat= 866,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  1-1:456      78 GLN  H           4.00    (#    456:1   Single Ambig)
 &rst
  ixpk= 456, nxpk= 1, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1158,1159,
 &end
#
#   78 GLN  HB+          78 GLN  H           3.00    (#    458:1   Unique         2.51, 2.74 A)
# CHANGED TO HB3
 &rst
  ixpk= 458, nxpk= 1, iat=  1156,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   78 GLN  HB-          78 GLN  H           3.00    (#    462:1   Unique         2.51, 2.74 A)
# CHANGED TO HB2
 &rst
  ixpk= 462, nxpk= 1, iat=  1155,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   92 LYS  HB+          93 HIS  H           3.00    (#    463:1   Unique         2.59, 3.17 A)
# CHANGED TO HB3
# CHANGE BOTH ASSIGNMENTS TO ALTERNATE GLN 78 H to MET 77 HB2
 &rst
# ixpk= 463, nxpk= 1, iat=  1369,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
  ixpk= 463, nxpk= 1, iat=  1138,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   61 ILE  HG12         78 GLN  H           3.00    (#    464:1   Preassigned    2.55, 2.55 A)
 &rst
  ixpk= 464, nxpk= 1, iat= 920,1151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  QD1          78 GLN  H           4.00    (#    465:1   Unique         3.41, 3.87 A)
 &rst
  ixpk= 465, nxpk= 1, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 923, 924, 925,
 &end
#
#   61 ILE  QD1          78 GLN  H           4.00    (#    466:1   Unique         3.41, 3.87 A)
 &rst
  ixpk= 466, nxpk= 1, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 923, 924, 925,
 &end
#
#   76 GLU  QG           29 VAL  H           5.00    (#    473:1   Preassigned    2.98, 3.02 A)
 &rst
  ixpk= 473, nxpk= 1, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1126,1127,
 &end
#
#   76 GLU  QG           29 VAL  H           5.00    (#    474:1   Preassigned    2.98, 3.02 A)
 &rst
  ixpk= 474, nxpk= 1, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1126,1127,
 &end
#
#   41 CYS  HA           42 ARG  H           3.00    (#    481:1   Preassigned    2.06, 2.06 A)
 &rst
  ixpk= 481, nxpk= 1, iat= 619, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 THR  HA           29 VAL  H           4.00    (#    482:1   Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 482, nxpk= 1, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 VAL  HA           29 VAL  H           4.00    (#    484:1   Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 484, nxpk= 1, iat= 441, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HB           29 VAL  H           3.00    (#    485:1   Preassigned    2.59, 2.59 A)
 &rst
  ixpk= 485, nxpk= 1, iat= 429, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS  HB+          42 ARG  H           3.00    (#    486:1   Preassigned    2.36, 2.95 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 486, nxpk= 1, iat=  621, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#    7 TYR  HB+          42 ARG  H           4.00    (#    487:1   Preassigned    2.69, 3.19 A)
# CHANGED TO HB3
 &rst
  ixpk= 487, nxpk= 1, iat=  101, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    7 TYR  HB+          42 ARG  H           4.00    (#    488:1   Preassigned    2.69, 3.19 A)
# CHANGED TO HB3
 &rst
  ixpk= 488, nxpk= 1, iat=  101, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HG-          29 VAL  H           3.00    (#    489:1   Unique         3.25, 3.92 A)
# CHANGED TO HG3
# BIN 3.50
 &rst
  ixpk= 489, nxpk= 1, iat=  1142, 439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.60,
 &end
#
#    0 AMB  1-1:490       0 AMB  1-2:490     3.00    (#    490:1   Double Ambig)
# BIN 5
 &rst
  ixpk= 490, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1141,1142,1271,
 igr2= 439,1386,
 &end
#
#   29 VAL  HB           29 VAL  H           3.00    (#    492:1   Preassigned    2.64, 2.64 A)
 &rst
  ixpk= 492, nxpk= 1, iat= 443, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 VAL  QG2          29 VAL  H           3.00    (#    493:1   Preassigned    2.86, 3.57 A)
 &rst
  ixpk= 493, nxpk= 1, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          29 VAL  H           4.00    (#    494:1   Preassigned    4.34, 4.56 A)
 &rst
  ixpk= 494, nxpk= 1, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 445, 446, 447,
 &end
#
#   86 ILE  H            93 HIS  H           4.00    (#    496:1   Preassigned    2.87, 2.87 A)
 &rst
  ixpk= 496, nxpk= 1, iat=1267,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  H            93 HIS  H           5.00    (#    497:1   Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 497, nxpk= 1, iat=1364,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 TRP  HZ2          93 HIS  H           4.00    (#    498:1   Preassigned    2.78, 2.78 A)
 &rst
  ixpk= 498, nxpk= 1, iat= 271,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  HA           93 HIS  H           3.00    (#    499:1   Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 499, nxpk= 1, iat=1366,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 ARG  HA           42 ARG  H           3.00    (#    500:1   Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 500, nxpk= 1, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS  HB-          42 ARG  H           3.00    (#    501:1   Preassigned    2.36, 2.95 A)
# CHANGED TO CYS HB3
# BIN 3.3
 &rst
  ixpk= 501, nxpk= 1, iat=  622, 627, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.50,
 &end
#
#   93 HIS  HB-          93 HIS  H           4.00    (#    502:1   Preassigned    3.03, 3.18 A)
# CHANGED TO HB3
 &rst
  ixpk= 502, nxpk= 1, iat=  1391,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HB-          93 HIS  H           3.00    (#    505:1   Preassigned    2.59, 3.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 505, nxpk= 1, iat=  1368,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   85 ILE  QG2          93 HIS  H           4.00    (#    508:1   Preassigned    3.71, 4.37 A)
 &rst
  ixpk= 508, nxpk= 1, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   32 GLU  HA           33 VAL  H           3.00    (#    511:1   Preassigned    2.57, 2.57 A)
 &rst
  ixpk= 511, nxpk= 1, iat= 490, 503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  QG2          33 VAL  H           3.00    (#    517:1   Preassigned    3.19, 3.63 A)
 &rst
  ixpk= 517, nxpk= 1, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 513, 514, 515,
 &end
#
#   33 VAL  QG1          33 VAL  H           4.00    (#    518:1   Preassigned    4.18, 4.67 A)
 &rst
  ixpk= 518, nxpk= 1, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   74 PHE  HA           33 VAL  H           4.00    (#    519:1   Preassigned    4.00, 4.00 A)
 &rst
  ixpk= 519, nxpk= 1, iat=1082, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 GLU  QB           33 VAL  H           4.00    (#    526:1   Preassigned    3.61, 3.68 A)
 &rst
  ixpk= 526, nxpk= 1, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 492, 493,
 &end
#
#   33 VAL  HA           33 VAL  H           4.00    (#    527:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 527, nxpk= 1, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HA           33 VAL  H           3.00    (#    528:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 528, nxpk= 1, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASN  HA           48 VAL  H           4.00    (#    544:1   Preassigned    4.22, 4.22 A)
 &rst
  ixpk= 544, nxpk= 1, iat=1236, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HB-          48 VAL  H           5.00    (#    546:1   Preassigned    3.70, 3.72 A)
# CHANGED TO HB3
 &rst
  ixpk= 546, nxpk= 1, iat=  1239, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   84 ASN  HB-          48 VAL  H           5.00    (#    547:1   Preassigned    3.70, 3.72 A)
# CHANGED TO HB3
 &rst
  ixpk= 547, nxpk= 1, iat=  1239, 734, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   48 VAL  QG1          48 VAL  H           3.00    (#    549:1   Preassigned    3.17, 3.85 A)
 &rst
  ixpk= 549, nxpk= 1, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 740, 741, 742,
 &end
#
#   47 ALA  H             0 AMB  1-2:550     4.00    (#    550:1   Single Ambig)
 &rst
  ixpk= 550, nxpk= 1, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 700, 734,
 &end
#
#   47 ALA  HA           48 VAL  H           3.00    (#    552:1   Preassigned    2.04, 2.04 A)
 &rst
  ixpk= 552, nxpk= 1, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  QB           48 VAL  H           3.00    (#    558:1   Preassigned    3.23, 3.87 A)
 &rst
  ixpk= 558, nxpk= 1, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG2          48 VAL  H           3.00    (#    559:1   Preassigned    2.26, 3.19 A)
 &rst
  ixpk= 559, nxpk= 1, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#   57 VAL  QG2          48 VAL  H           4.00    (#    561:1   Preassigned    4.12, 4.99 A)
 &rst
  ixpk= 561, nxpk= 1, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   86 ILE  H            87 TYR  H           4.00    (#    564:1   Unique         4.05, 4.05 A)
 &rst
  ixpk= 564, nxpk= 1, iat=1267,1286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 VAL  H            87 TYR  H           5.00    (#    566:1   Preassigned    4.44, 4.44 A)
 &rst
  ixpk= 566, nxpk= 1, iat=1307,1286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  HD2          87 TYR  H           3.00    (#    567:1   Unique         2.76, 2.76 A)
 &rst
  ixpk= 567, nxpk= 1, iat=1303,1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HA           87 TYR  H           3.00    (#    570:1   Preassigned    1.74, 1.74 A)
 &rst
  ixpk= 570, nxpk= 1, iat=1269,1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 TYR  HB+          87 TYR  H           3.00    (#    572:1   Preassigned    2.36, 2.99 A)
# CHANGED TO HB3
# BIN 3.3
 &rst
  ixpk= 572, nxpk= 1, iat=  1291,1286, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.50,
 &end
#
#   87 TYR  HB+          87 TYR  H           3.00    (#    573:1   Preassigned    2.36, 2.99 A)
# CHANGED TO HB3
# BIN 3.3
 &rst
  ixpk= 573, nxpk= 1, iat=  1291,1286, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.50,
 &end
#
#   87 TYR  HB-          87 TYR  H           3.00    (#    575:1   Preassigned    2.36, 2.99 A)
# CHANGED TO HB2
 &rst
  ixpk= 575, nxpk= 1, iat=  1290,1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   46 ARG  HB+          46 ARG  H           4.00    (#    577:1   Preassigned    3.46, 3.74 A)
# CHANGE TO ARG HB3
 &rst
  ixpk= 577, nxpk= 1, iat=  705, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    0 AMB  1-1:578       0 AMB  1-2:578     3.00    (#    578:1   Double Ambig)
 &rst
  ixpk= 578, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1252, 704, 705,
 igr2= 734, 700,
 &end
#
#   46 ARG  HG+          46 ARG  H           3.00    (#    579:1   Preassigned    2.90, 3.27 A)
# CHANGED TO R46 HG2
 &rst
  ixpk= 579, nxpk= 1, iat=  707, 700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   86 ILE  QG2          87 TYR  H           3.00    (#    583:1   Preassigned    2.62, 3.36 A)
 &rst
  ixpk= 583, nxpk= 1, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1273,1274,1275,
 &end
#
#   18 LYS  H            34 ALA  H           3.00    (#    585:1   Preassigned    3.14, 3.14 A)
 &rst
  ixpk= 585, nxpk= 1, iat= 282, 519, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,  &end
#
#   16 THR  H            34 ALA  H           3.00    (#    586:1   Preassigned    3.15, 3.15 A)
 &rst
  ixpk= 586, nxpk= 1, iat= 244, 519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  H            46 ARG  H           5.00    (#    587:1   Preassigned    4.39, 4.39 A)
 &rst
  ixpk= 587, nxpk= 1, iat=1323, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  H            46 ARG  H           5.00    (#    588:1   Preassigned    4.64, 4.64 A)
 &rst
  ixpk= 588, nxpk= 1, iat= 684, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 PHE  HD1          34 ALA  H           4.00    (#    590:1   Preassigned    3.43, 3.43 A)
 &rst
  ixpk= 590, nxpk= 1, iat= 232, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 VAL  HA           46 ARG  H           3.00    (#    591:1   Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 591, nxpk= 1, iat= 686, 700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 VAL  HA           46 ARG  H           4.00    (#    592:1   Preassigned    4.02, 4.02 A)
 &rst
  ixpk= 592, nxpk= 1, iat=1309, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HB           34 ALA  H           3.00    (#    593:1   Preassigned    2.48, 2.48 A)
 &rst
  ixpk= 593, nxpk= 1, iat= 507, 519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ALA  QB           34 ALA  H           3.00    (#    595:1   Preassigned    2.90, 3.43 A)
 &rst
  ixpk= 595, nxpk= 1, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 523, 524, 525,
 &end
#
#   48 VAL  QG2          48 VAL  H           3.00    (#    596:1   Preassigned    2.26, 3.19 A)
 &rst
  ixpk= 596, nxpk= 1, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#   33 VAL  QG1          34 ALA  H           3.00    (#    597:1   Preassigned    3.29, 4.10 A)
# BIN 3.6 to 4
 &rst
  ixpk= 597, nxpk= 1, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 igr1= 509, 510, 511,
 &end
#
#   84 ASN  HA           95 TRP  H           5.00    (#    605:1   Preassigned    4.81, 4.81 A)
 &rst
  ixpk= 605, nxpk= 1, iat=1236,1420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 GLN  HA           95 TRP  H           3.00    (#    606:1   Preassigned    2.17, 2.17 A)
 &rst
  ixpk= 606, nxpk= 1, iat=1405,1420, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HA           95 TRP  H           4.00    (#    609:1   Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 609, nxpk= 1, iat=1250,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HB+          95 TRP  H           4.00    (#    614:1   Preassigned    2.40, 2.55 A)
# CHANGED TO HB2
 &rst
  ixpk= 614, nxpk= 1, iat=  1424,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   95 TRP  HB-          95 TRP  H           4.00    (#    616:1   Preassigned    2.40, 2.55 A)
# CHANGED TO HB3
 &rst
  ixpk= 616, nxpk= 1, iat=  1425,1420, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   94 GLN  QG           95 TRP  H           4.00    (#    619:1   Unique         4.25, 4.91 A)
 &rst
  ixpk= 619, nxpk= 1, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1410,1411,
 &end
#
#   94 GLN  QB           95 TRP  H           4.00    (#    620:1   Preassigned    3.91, 4.29 A)
 &rst
  ixpk= 620, nxpk= 1, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1407,1408,
 &end
#
#   84 ASN  H            95 TRP  H           3.00    (#    626:1   Preassigned    3.00, 3.00 A)
# BIN 3.0 to 3.4
 &rst
  ixpk= 626, nxpk= 1, iat=1234,1420, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.60,  &end
#
#   17 TRP  HB+          18 LYS  H           5.00    (#    648:1   Preassigned    3.16, 3.61 A)
# CHANGED TO HB3
 &rst
  ixpk= 648, nxpk= 1, iat=  263, 282, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   19 ARG  H            18 LYS  H           3.00    (#    654:1   Preassigned    2.10, 2.10 A)
 &rst
  ixpk= 654, nxpk= 1, iat= 304, 282, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HA           18 LYS  H           3.00    (#    655:1   Preassigned    1.97, 1.97 A)
 &rst
  ixpk= 655, nxpk= 1, iat= 505, 282, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 TRP  HA           18 LYS  H           4.00    (#    656:1   Preassigned    2.02, 2.02 A)
 &rst
  ixpk= 656, nxpk= 1, iat= 260, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ARG  HA           18 LYS  H           4.00    (#    660:1   Preassigned    4.39, 4.39 A)
# BIN SD
 &rst
  ixpk= 660, nxpk= 1, iat= 306, 282, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.00,  &end
#
#   17 TRP  HB+          18 LYS  H           4.00    (#    662:1   Preassigned    3.16, 3.61 A)
# CHANGED TO HB3
 &rst
  ixpk= 662, nxpk= 1, iat=  263, 282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   17 TRP  HB-          18 LYS  H           4.00    (#    663:1   Preassigned    3.16, 3.61 A)
# CHANGED TO HB2
 &rst
  ixpk= 663, nxpk= 1, iat=  262, 282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   33 VAL  HB           18 LYS  H           4.00    (#    665:1   Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 665, nxpk= 1, iat= 507, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  QB           18 LYS  H           3.00    (#    666:1   Preassigned    2.51, 2.97 A)
 &rst
  ixpk= 666, nxpk= 1, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 286, 287,
 &end
#
#   33 VAL  QG1          18 LYS  H           4.00    (#    667:1   Preassigned    2.89, 3.83 A)
 &rst
  ixpk= 667, nxpk= 1, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   17 TRP  HE3          18 LYS  H           4.00    (#    669:1   Preassigned    3.48, 3.48 A)
 &rst
  ixpk= 669, nxpk= 1, iat= 277, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 LYS  H            13 ALA  H           4.00    (#    670:1   Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 670, nxpk= 1, iat= 170, 192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 LYS  H            13 ALA  H           3.00    (#    673:1   Preassigned    2.89, 2.89 A)
 &rst
  ixpk= 673, nxpk= 1, iat= 202, 192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA  QB           13 ALA  H           3.00    (#    675:1   Preassigned    2.51, 2.94 A)
 &rst
  ixpk= 675, nxpk= 1, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 196, 197, 198,
 &end
#
#   84 ASN  HD21         84 ASN  H           4.00    (#    686:1   Preassigned    3.89, 3.89 A)
 &rst
  ixpk= 686, nxpk= 1, iat=1243,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HD22         84 ASN  H           3.00    (#    688:1   Preassigned    3.03, 3.03 A)
 &rst
  ixpk= 688, nxpk= 1, iat=1244,1234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASN  HB+          84 ASN  H           4.00    (#    697:1   Preassigned    3.83, 3.95 A)
# CHANGED TO HB2
 &rst
  ixpk= 697, nxpk= 1, iat=  1238,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   95 TRP  HB-          84 ASN  H           5.00    (#    699:1   Unique         3.62, 4.28 A)
# CHANGED TO HB3
 &rst
  ixpk= 699, nxpk= 1, iat=  1425,1234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#    0 AMB  1-1:700       0 AMB  1-2:700     4.00    (#    700:1   Double Ambig)
 &rst
  ixpk= 700, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 162, 163,1390,1391,
 igr2= 192,1267,
 &end
#
#   83 ASP  QB           84 ASN  H           4.00    (#    706:1   Preassigned    4.09, 4.22 A)
 &rst
  ixpk= 706, nxpk= 1, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1226,1227,
 &end
#
#   33 VAL  HB           18 LYS  H           4.00    (#    707:1   Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 707, nxpk= 1, iat= 507, 282, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HB-          84 ASN  H           4.00    (#    708:1   Preassigned    3.83, 3.95 A)
# CHANGED TO HB3
 &rst
  ixpk= 708, nxpk= 1, iat=  1239,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HA           86 ILE  H           4.00    (#    719:1   Preassigned    4.17, 4.17 A)
# BIN Add 0.5
 &rst
  ixpk= 719, nxpk= 1, iat=1366,1267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 ASP  HA           84 ASN  H           4.00    (#    720:1   Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 720, nxpk= 1, iat=1224,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 LYS  HA           18 LYS  H           5.00    (#    721:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 721, nxpk= 1, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ILE  HA           86 ILE  H           3.00    (#    722:1   Preassigned    1.80, 1.80 A)
 &rst
  ixpk= 722, nxpk= 1, iat=1250,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HA           86 ILE  H           3.00    (#    723:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 723, nxpk= 1, iat=1269,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HG1+         86 ILE  H           3.00    (#    725:1   Preassigned    2.98, 3.49 A)
# CHANGED TO HG13
 &rst
  ixpk= 725, nxpk= 1, iat=  1278,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   86 ILE  HG1-         86 ILE  H           3.00    (#    727:1   Preassigned    2.98, 3.49 A)
# CHANGED TO HG12
 &rst
  ixpk= 727, nxpk= 1, iat=  1277,1267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   86 ILE  QD1          86 ILE  H           4.00    (#    728:1   Preassigned    4.52, 5.00 A)
 &rst
  ixpk= 728, nxpk= 1, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1280,1281,1282,
 &end
#
#   85 ILE  QG2          86 ILE  H           3.00    (#    729:1   Preassigned    3.46, 4.00 A)
 &rst
  ixpk= 729, nxpk= 1, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   16 THR  H            17 TRP  H           4.00    (#    732:1   Unique         4.35, 4.35 A)
 &rst
  ixpk= 732, nxpk= 1, iat= 244, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HD1          17 TRP  H           4.00    (#    734:1   Preassigned    3.08, 3.08 A)
 &rst
  ixpk= 734, nxpk= 1, iat= 266, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  HA           17 TRP  H           3.00    (#    738:1   Preassigned    2.52, 2.52 A)
 &rst
  ixpk= 738, nxpk= 1, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 THR  HB           17 TRP  H           3.00    (#    739:1   Preassigned    2.70, 2.70 A)
 &rst
  ixpk= 739, nxpk= 1, iat= 248, 258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 TRP  HB+          17 TRP  H           3.00    (#    740:1   Preassigned    2.28, 2.90 A)
# CHANGED TO HB3
 &rst
  ixpk= 740, nxpk= 1, iat=  263, 258, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   17 TRP  HB-          17 TRP  H           3.00    (#    741:1   Preassigned    2.28, 2.90 A)
# CHANGED TO HB2
 &rst
  ixpk= 741, nxpk= 1, iat=  262, 258, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   60 LEU  HB+          60 LEU  H           3.00    (#    743:1   Unique         2.10, 2.70 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 743, nxpk= 1, iat=  895, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   16 THR  HG2          17 TRP  H           4.00    (#    744:1   Preassigned    4.39, 4.92 A)
 &rst
  ixpk= 744, nxpk= 1, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 250, 251, 252,
 &end
#
#   91 LEU  QD2          17 TRP  H           5.00    (#    746:1   Preassigned    3.22, 3.95 A)
 &rst
  ixpk= 746, nxpk= 1, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#   91 LEU  QD2          17 TRP  H           5.00    (#    747:1   Preassigned    3.22, 3.95 A)
 &rst
  ixpk= 747, nxpk= 1, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#    0 AMB  1-1:748       0 AMB  1-2:748     3.00    (#    748:1   Double Ambig)
 &rst
  ixpk= 748, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 893,1269,
 igr2= 891,1267,
 &end
#
#   60 LEU  HB-          60 LEU  H           3.00    (#    750:1   Preassigned    2.10, 2.70 A)
# CHANGED TO L60 HB3
# BIN 3.5
 &rst
  ixpk= 750, nxpk= 1, iat=  896, 891, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.60,
 &end
#
#   85 ILE  HG13         86 ILE  H           4.00    (#    751:1   Preassigned    4.08, 4.08 A)
# CHANGED TO HG12
 &rst
# ixpk= 751, nxpk= 1, iat=1259,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
  ixpk= 751, nxpk= 1, iat=1258,1267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  HG           60 LEU  H           3.00    (#    754:1   Preassigned    3.13, 3.13 A)
 &rst
  ixpk= 754, nxpk= 1, iat= 898, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ALA  QB           60 LEU  H           5.00    (#    755:1   Preassigned    3.97, 4.80 A)
 &rst
  ixpk= 755, nxpk= 1, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 868, 869, 870,
 &end
#
#   30 VAL  H            24 SER  H           4.00    (#    760:1   Preassigned    4.00, 4.00 A)
 &rst
  ixpk= 760, nxpk= 1, iat= 455, 378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 SER  HA           24 SER  H           3.00    (#    769:1   Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 769, nxpk= 1, iat= 380, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 SER  QB           24 SER  H           3.00    (#    770:1   Preassigned    2.44, 2.97 A)
 &rst
  ixpk= 770, nxpk= 1, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 382, 383,
 &end
#
#   23 ASP  QB           25 GLY  H           4.00    (#    772:1   Preassigned    2.34, 3.14 A)
 &rst
  ixpk= 772, nxpk= 1, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 370, 371,
 &end
#
#   30 VAL  QG1          24 SER  H           4.00    (#    773:1   Unique         3.72, 4.79 A)
 &rst
  ixpk= 773, nxpk= 1, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   43 ILE  QD1          73 GLY  H           4.00    (#    774:1   Preassigned    3.12, 3.87 A)
 &rst
  ixpk= 774, nxpk= 1, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 664, 665, 666,
 &end
#
#   26 HIS  H            24 SER  H           3.00    (#    779:1   Preassigned    3.13, 3.13 A)
 &rst
  ixpk= 779, nxpk= 1, iat= 396, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASN  HD22         82 GLY  H           5.00    (#    780:1   Preassigned    4.65, 4.65 A)
 &rst
  ixpk= 780, nxpk= 1, iat=1244,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 ARG  HA           67 MET  H           3.00    (#    782:1   Preassigned    3.14, 3.14 A)
# BIN add 0.3
 &rst
  ixpk= 782, nxpk= 1, iat= 629, 999, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,  &end
#
#   72 GLY  HA-          73 GLY  H           3.00    (#    783:1   Preassigned    2.34, 2.44 A)
# CHANGED TO HA2
 &rst
  ixpk= 783, nxpk= 1, iat=  1068,1073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   89 GLY  H            46 ARG  HE          4.00    (#    786:1   Unique         3.77, 3.77 A)
 &rst
  ixpk= 786, nxpk= 1, iat=1323, 713, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HD21         82 GLY  H           4.00    (#    789:1   Preassigned    3.34, 3.34 A)
 &rst
  ixpk= 789, nxpk= 1, iat=1243,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 MET  HA            0 AMB  1-2:791     5.00    (#    791:1   Single Ambig)
 &rst
  ixpk= 791, nxpk= 1, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1073, 999,
 &end
#
#   72 GLY  HA+          73 GLY  H           4.00    (#    792:1   Preassigned    2.34, 2.44 A)
 &rst
  ixpk= 792, nxpk= 1, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1068,1069,
 &end
#
#   82 GLY  HA+          82 GLY  H           4.00    (#    794:1   Preassigned    2.44, 2.70 A)
# CHANGED TO HA2
 &rst
  ixpk= 794, nxpk= 1, iat=  1217,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   82 GLY  HA+          82 GLY  H           4.00    (#    795:1   Preassigned    2.44, 2.70 A)
# CHANGED TO HA2
 &rst
  ixpk= 795, nxpk= 1, iat=  1217,1215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   97 GLN  HA           82 GLY  H           5.00    (#    796:1   Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 796, nxpk= 1, iat=1466,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 PRO  HA           82 GLY  H           3.00    (#    799:1   Preassigned    1.78, 1.78 A)
 &rst
  ixpk= 799, nxpk= 1, iat=1211,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 GLY  HA-          73 GLY  H           4.00    (#    802:1   Preassigned    2.51, 2.74 A)
# CHANGED TO HA2
 &rst
  ixpk= 802, nxpk= 1, iat=  1075,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   73 GLY  HA-          73 GLY  H           4.00    (#    803:1   Preassigned    2.51, 2.74 A)
# CHANGED TO HA2
 &rst
  ixpk= 803, nxpk= 1, iat=  1075,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   82 GLY  HA-          82 GLY  H           3.00    (#    804:1   Preassigned    2.44, 2.70 A)
# CHANGED TO HA3
 &rst
  ixpk= 804, nxpk= 1, iat=  1218,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   82 GLY  HA-          82 GLY  H           3.00    (#    805:1   Preassigned    2.44, 2.70 A)
# CHANGED TO HA3
 &rst
  ixpk= 805, nxpk= 1, iat=  1218,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   97 GLN  QG           82 GLY  H           4.00    (#    807:1   Preassigned    3.52, 3.84 A)
 &rst
  ixpk= 807, nxpk= 1, iat=  -1,1215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#    0 AMB  1-1:810       0 AMB  1-2:810     4.00    (#    810:1   Double Ambig)
 &rst
  ixpk= 810, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 878, 879, 478, 479,
 igr2= 885, 886, 887, 482, 483, 484,
 &end
#
#    0 AMB  1-1:811       0 AMB  1-2:811     4.00    (#    811:1   Double Ambig)
 &rst
  ixpk= 811, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 878, 879, 478, 479,
 igr2= 885, 886, 887, 482, 483, 484,
 &end
#
#   81 PRO  HB+          82 GLY  H           3.00    (#    812:1   Preassigned    3.02, 3.52 A)
# CHANGED TO HB3
# BIN 3.3
 &rst
  ixpk= 812, nxpk= 1, iat=  1208,1215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.70,
 &end
#
#    0 AMB  1-1:814       0 AMB  1-2:814     3.00    (#    814:1   Double Ambig)
 &rst
  ixpk= 814, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1468,1469,1491,1492,1020,1021, 180, 181,
 igr2=1215,1497,1498,1499,1045, 186, 187, 188,
 &end
#
#   41 CYS  H            67 MET  H           4.00    (#    815:1   Unique         3.23, 3.23 A)
 &rst
  ixpk= 815, nxpk= 1, iat= 617, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 THR  HA           67 MET  H           4.00    (#    816:1   Preassigned    1.96, 1.96 A)
 &rst
  ixpk= 816, nxpk= 1, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:819       0 AMB  1-2:819     4.00    (#    819:1   Double Ambig)
 &rst
  ixpk= 819, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 858, 859, 860,1106,1107,1108,
 igr2=1188, 482, 483, 484,
 &end
#
#   58 ALA  H            47 ALA  H           3.00    (#    824:1   Unique         2.73, 2.73 A)
 &rst
  ixpk= 824, nxpk= 1, iat= 864, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           47 ALA  H           4.00    (#    825:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 825, nxpk= 1, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           47 ALA  H           4.00    (#    826:1   Unique         3.42, 3.42 A)
 &rst
  ixpk= 826, nxpk= 1, iat= 838, 724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:831       0 AMB  1-2:831     3.00    (#    831:1   Double Ambig)
 &rst
  ixpk= 831, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 631, 632, 975, 976,
 igr2= 640, 973, 972,
 &end
#
#    0 AMB  1-1:832       0 AMB  1-2:832     3.00    (#    832:1   Double Ambig)
 &rst
  ixpk= 832, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1491,1492,1020,1021, 180, 181,
 igr2=1497,1498,1499,1045, 186, 187, 188,
 &end
#
#   21 PRO  HD+          93 HIS  HD1         3.00    (#    833:1   Preassigned    3.00, 3.72 A)
# CHANGED TO HD2
 &rst
  ixpk= 833, nxpk= 1, iat=  339,1394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   43 ILE  HG1-         67 MET  H           5.00    (#    836:1   Unique         2.21, 2.70 A)
# CHANGE TO HG12
 &rst
  ixpk= 836, nxpk= 1, iat=  661, 999, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   71 GLY  H            70 ASN  H           4.00    (#    842:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 842, nxpk= 1, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 VAL  HA           19 ARG  H           4.00    (#    843:1   Preassigned    3.30, 3.30 A)
 &rst
  ixpk= 843, nxpk= 1, iat= 505, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ARG  HA           19 ARG  H           3.00    (#    847:1   Unique         2.88, 2.88 A)
 &rst
  ixpk= 847, nxpk= 1, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:848       0 AMB  1-2:848     3.00    (#    848:1   Double Ambig)
 &rst
  ixpk= 848, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 551, 306, 981,
 igr2= 556, 304, 973,
 &end
#
#    0 AMB  1-1:849       0 AMB  1-2:849     5.00    (#    849:1   Double Ambig)
 &rst
  ixpk= 849, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 119,1102,
 igr2= 646, 127, 939,
 &end
#
#   95 TRP  HB+          93 HIS  HD1         4.00    (#    850:1   Unique         2.78, 3.53 A)
# CHANGED TO HB2
 &rst
  ixpk= 850, nxpk= 1, iat=  1424,1394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    0 AMB  1-1:852       0 AMB  1-2:852     3.00    (#    852:1   Double Ambig)
 &rst
  ixpk= 852, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 495, 496,1407,1408, 950, 951,
 igr2= 298, 299, 300,1403, 957,
 &end
#
#   32 GLU  HG-          18 LYS  HZ          4.00    (#    853:1   Unique         2.13, 3.30 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 853, nxpk= 1, iat=  496,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,
 igr2= 298, 299, 300,
 &end
#
#   77 MET  HG-           0 AMB  1-2:854     4.00    (#    854:1   Single Ambig)
# CHANGED TO HG3
 &rst
  ixpk= 854, nxpk= 1, iat=  1142,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 5.00,
 igr2= 482, 483, 484,1145,1146,1147,
 &end
#
#   19 ARG  QG           19 ARG  HH11        4.00    (#    855:1   Unique         1.68, 2.05 A)
 &rst
  ixpk= 855, nxpk= 1, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 311, 312,
 &end
#
#    0 AMB  1-1:856       0 AMB  1-2:856     3.00    (#    856:1   Double Ambig)
 &rst
  ixpk= 856, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 610, 611, 585, 586,1138,1139, 286, 287,
 igr2= 113, 106, 111, 106, 111, 592,1145,1146,1147, 298,
       299, 300,
 &end
#
#   42 ARG  QG            0 AMB  1-2:857     3.00    (#    857:1   Single Ambig)
 &rst
  ixpk= 857, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 634, 635,
 igr2= 640, 142, 143, 144,
 &end
#
#   73 GLY  HA-          18 LYS  HZ          4.00    (#    861:1   Unique         2.79, 3.93 A)
# CHANGED TO HA2
 &rst
  ixpk= 861, nxpk= 1, iat=  1075,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.00,
 igr2= 298, 299, 300,
 &end
#
#   17 TRP  HB+          19 ARG  H           5.00    (#    862:1   Preassigned    3.63, 4.34 A)
# CHANGED TO HB3
 &rst
  ixpk= 862, nxpk= 1, iat=  263, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   64 ASN  HA           64 ASN  H           3.00    (#    864:1   Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 864, nxpk= 1, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 PRO  HA           64 ASN  H           4.00    (#    865:1   Preassigned    3.63, 3.63 A)
 &rst
  ixpk= 865, nxpk= 1, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:868       0 AMB  1-2:868     4.00    (#    868:1   Double Ambig)
 &rst
  ixpk= 868, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 244, 117,
 igr2= 224, 131,
 &end
#
#   67 MET  QG           35 PHE  H           3.00    (#    874:1   Unique         3.25, 3.82 A)
 &rst
  ixpk= 874, nxpk= 1, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1006,1007,
 &end
#
#   62 THR  H            61 ILE  H           3.00    (#    882:1   Preassigned    1.80, 1.80 A)
 &rst
  ixpk= 882, nxpk= 1, iat= 929, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 MET  HA           61 ILE  H           3.00    (#    883:1   Preassigned    2.20, 2.20 A)
 &rst
  ixpk= 883, nxpk= 1, iat=1136, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HA           35 PHE  H           4.00    (#    884:1   Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 884, nxpk= 1, iat= 531, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 PHE  HA           35 PHE  H           4.00    (#    885:1   Preassigned    2.86, 2.86 A)
 &rst
  ixpk= 885, nxpk= 1, iat= 531, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  HA           61 ILE  H           3.00    (#    888:1   Preassigned    2.38, 2.38 A)
 &rst
  ixpk= 888, nxpk= 1, iat= 893, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HB+          35 PHE  H           4.00    (#    891:1   Preassigned    2.24, 2.34 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 891, nxpk= 1, iat=  533, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   35 PHE  HB-          35 PHE  H           4.00    (#    892:1   Preassigned    2.24, 2.34 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 892, nxpk= 1, iat=  534, 529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HB+          61 ILE  H           4.00    (#    893:1   Preassigned    3.45, 3.99 A)
# CHANGED TO HB3
 &rst
  ixpk= 893, nxpk= 1, iat=  1139, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   76 GLU  QB           61 ILE  H           3.00    (#    894:1   Preassigned    3.24, 4.07 A)
 &rst
  ixpk= 894, nxpk= 1, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   76 GLU  QB           61 ILE  H           3.00    (#    895:1   Preassigned    3.24, 4.07 A)
 &rst
  ixpk= 895, nxpk= 1, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   60 LEU  HB+          61 ILE  H           4.00    (#    897:1   Preassigned    3.33, 3.93 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 897, nxpk= 1, iat=  895, 910, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   61 ILE  HB           61 ILE  H           3.00    (#    899:1   Preassigned    2.06, 2.06 A)
 &rst
  ixpk= 899, nxpk= 1, iat= 914, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  HG12         61 ILE  H           3.00    (#    900:1   Preassigned    2.42, 2.42 A)
 &rst
  ixpk= 900, nxpk= 1, iat= 920, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  HG12         61 ILE  H           3.00    (#    901:1   Preassigned    2.42, 2.42 A)
 &rst
  ixpk= 901, nxpk= 1, iat= 920, 910, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ALA  QB           35 PHE  H           3.00    (#    902:1   Preassigned    3.43, 3.95 A)
 &rst
  ixpk= 902, nxpk= 1, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 523, 524, 525,
 &end
#
#   61 ILE  QG2          61 ILE  H           4.00    (#    904:1   Preassigned    4.18, 4.38 A)
 &rst
  ixpk= 904, nxpk= 1, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 916, 917, 918,
 &end
#
#   61 ILE  QD1          61 ILE  H           3.00    (#    905:1   Preassigned    3.27, 3.97 A)
 &rst
  ixpk= 905, nxpk= 1, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 923, 924, 925,
 &end
#
#    8 THR  HA            9 MET  H           4.00    (#    909:1   Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 909, nxpk= 1, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HD2          15 PHE  H           3.00    (#    910:1   Preassigned    3.07, 3.07 A)
 &rst
  ixpk= 910, nxpk= 1, iat= 240, 224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  H            15 PHE  H           4.00    (#    911:1   Preassigned    2.66, 2.66 A)
 &rst
  ixpk= 911, nxpk= 1, iat= 202, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HA           15 PHE  H           3.00    (#    913:1   Preassigned    2.91, 2.91 A)
 &rst
  ixpk= 913, nxpk= 1, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  HA           15 PHE  H           3.00    (#    914:1   Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 914, nxpk= 1, iat= 204, 224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 PHE  HB2          15 PHE  H           3.00    (#    915:1   Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 915, nxpk= 1, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 MET  HG+           9 MET  H           3.00    (#    916:1   Preassigned    2.09, 2.81 A)
# CHANGED TO HG2
 &rst
  ixpk= 916, nxpk= 1, iat=  138, 131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.00,
 &end
#
#    9 MET  HG+           9 MET  H           3.00    (#    917:1   Preassigned    2.09, 2.81 A)
# CHANGED TO HG2
 &rst
  ixpk= 917, nxpk= 1, iat=  138, 131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   56 ASP  HA           56 ASP  H           3.00    (#    921:1   Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 921, nxpk= 1, iat= 838, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 VAL  HA           56 ASP  H           3.00    (#    922:1   Unique         1.88, 1.88 A)
 &rst
  ixpk= 922, nxpk= 1, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HB+          56 ASP  H           3.00    (#    924:1   Preassigned    2.53, 2.70 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 924, nxpk= 1, iat=  840, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   56 ASP  HB+          56 ASP  H           4.00    (#    925:1   Preassigned    2.53, 2.70 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 925, nxpk= 1, iat=  840, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    9 MET  HG-           9 MET  H           3.00    (#    926:1   Unique         2.09, 2.81 A)
# CHANGED TO HG3
 &rst
  ixpk= 926, nxpk= 1, iat=  139, 131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   78 GLN  HA           79 LEU  H           3.00    (#    929:1   Preassigned    2.18, 2.18 A)
 &rst
  ixpk= 929, nxpk= 1, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 ASP  HB-          54 ASP  H           3.00    (#    932:1   Preassigned    2.73, 3.23 A)
# CHANGED TO D54 HB2
 &rst
  ixpk= 932, nxpk= 1, iat=  812, 808, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   78 GLN  HG3          79 LEU  H           4.00    (#    933:1   Preassigned    2.21, 2.21 A)
 &rst
  ixpk= 933, nxpk= 1, iat=1159,1168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 LEU  HB+          79 LEU  H           3.00    (#    934:1   Preassigned    2.30, 2.91 A)
# CHANGED TO HB2
 &rst
  ixpk= 934, nxpk= 1, iat=  1172,1168, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   22 THR  HG2          22 THR  H           3.00    (#    935:1   Preassigned    2.91, 3.65 A)
 &rst
  ixpk= 935, nxpk= 1, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 358, 359, 360,
 &end
#
#   55 VAL  QQG          56 ASP  H           3.00    (#    936:1   Preassigned    3.24, 4.40 A)
 &rst
  ixpk= 936, nxpk= 1, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   79 LEU  QD1          79 LEU  H           4.00    (#    937:1   Unique         4.06, 4.66 A)
 &rst
  ixpk= 937, nxpk= 1, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1177,1178,1179,
 &end
#
#   79 LEU  QD2          79 LEU  H           4.00    (#    938:1   Unique         4.54, 5.00 A)
# BIN 4.8 to 5
 &rst
  ixpk= 938, nxpk= 1, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1=1181,1182,1183,
 &end
#
#   65 PRO  HA           66 THR  H           3.00    (#    942:1   Unique         2.32, 2.32 A)
 &rst
  ixpk= 942, nxpk= 1, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 GLN  HB+          79 LEU  H           5.00    (#    945:1   Preassigned    3.67, 3.71 A)
# CHANGED TO HB3
 &rst
  ixpk= 945, nxpk= 1, iat=  1156,1168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  HB-          79 LEU  H           3.00    (#    948:1   Preassigned    2.30, 2.91 A)
# CHANGED TO HB3
# BIN 3.3
 &rst
  ixpk= 948, nxpk= 1, iat=  1173,1168, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.50,
 &end
#
#   29 VAL  QG2          79 LEU  H           4.00    (#    949:1   Preassigned    4.44, 4.98 A)
 &rst
  ixpk= 949, nxpk= 1, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   55 VAL  H            54 ASP  H           3.00    (#    950:1   Preassigned    2.29, 2.29 A)
 &rst
  ixpk= 950, nxpk= 1, iat= 820, 808, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   53 PRO  HD-          54 ASP  H           5.00    (#    955:1   Unique         3.03, 3.47 A)
 &rst
  ixpk= 955, nxpk= 1, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 795, 796,
 &end
#
#   53 PRO  HD-          54 ASP  H           5.00    (#    956:1   Unique         3.03, 3.47 A)
 &rst
  ixpk= 956, nxpk= 1, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 795, 796,
 &end
#
#   54 ASP  HB+          54 ASP  H           4.00    (#    957:1   Preassigned    2.73, 3.23 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 957, nxpk= 1, iat=  813, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   54 ASP  HB+          54 ASP  H           4.00    (#    958:1   Preassigned    2.73, 3.23 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 958, nxpk= 1, iat=  813, 808, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    0 AMB  1-1:959       0 AMB  1-2:959     4.00    (#    959:1   Double Ambig)
 &rst
  ixpk= 959, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 824,1468,1469, 459,
 igr2= 836,1481, 352,
 &end
#
#   66 THR  HG2          66 THR  H           4.00    (#    960:1   Unique         3.57, 4.24 A)
 &rst
  ixpk= 960, nxpk= 1, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   52 ALA  HA           54 ASP  H           5.00    (#    961:1   Preassigned    4.03, 4.03 A)
 &rst
  ixpk= 961, nxpk= 1, iat= 786, 808, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  HA           22 THR  H           3.00    (#    964:1   Preassigned    3.50, 3.50 A)
# Bin 4.0
 &rst
  ixpk= 964, nxpk= 1, iat= 473, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 GLY  HA-          51 GLY  H           4.00    (#    965:1   Preassigned    2.47, 2.73 A)
 &rst
  ixpk= 965, nxpk= 1, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 779, 780,
 &end
#
#   99 GLY  H            98 LYS  H           5.00    (#    969:1   Preassigned    4.27, 4.27 A)
 &rst
  ixpk= 969, nxpk= 1, iat=1503,1481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 GLN  HE22         98 LYS  H           4.00    (#    970:1   Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 970, nxpk= 1, iat=1477,1481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HE21         98 LYS  H           4.00    (#    971:1   Preassigned    3.31, 3.31 A)
 &rst
  ixpk= 971, nxpk= 1, iat=1476,1481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 PRO  HA           22 THR  H           3.00    (#    975:1   Preassigned    1.88, 1.88 A)
 &rst
  ixpk= 975, nxpk= 1, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 LYS  HA           98 LYS  H           3.00    (#    976:1   Preassigned    2.74, 2.74 A)
 &rst
  ixpk= 976, nxpk= 1, iat=1483,1481, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 LYS  QB           98 LYS  H           3.00    (#    977:1   Preassigned    2.85, 3.19 A)
 &rst
  ixpk= 977, nxpk= 1, iat=  -1,1481, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1485,1486,
 &end
#
#   97 GLN  HB-          98 LYS  H           4.00    (#    978:1   Preassigned    4.44, 4.51 A)
# CHANGED TO HB3
 &rst
  ixpk= 978, nxpk= 1, iat=  1469,1481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   22 THR  HB           22 THR  H           4.00    (#    984:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 984, nxpk= 1, iat= 356, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:987       0 AMB  1-2:987     4.00    (#    987:1   Double Ambig)
 &rst
  ixpk= 987, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 475, 476, 177, 178,
 igr2= 352,1330,
 &end
#
#   91 LEU  QB           90 GLU  H           3.00    (#    988:1   Preassigned    3.41, 3.77 A)
# CHANGE TO HB2 
# BIN 3.5
 &rst
  ixpk= 988, nxpk= 1, iat=  1349,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   21 PRO  HB-          22 THR  H           3.00    (#    989:1   Unique         3.21, 3.43 A)
# CHANGED TO HB3
 &rst
  ixpk= 989, nxpk= 1, iat=  346, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   91 LEU  H            90 GLU  H           3.00    (#    992:1   Preassigned    2.01, 2.01 A)
 &rst
  ixpk= 992, nxpk= 1, iat=1345,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:993       0 AMB  1-2:993     4.00    (#    993:1   Double Ambig)
 &rst
  ixpk= 993, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1323, 471,
 igr2=1330, 455,
 &end
#
#   89 GLY  H            90 GLU  H           4.00    (#    994:1   Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 994, nxpk= 1, iat=1323,1330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.50,  &end
#
#   65 PRO  HA           66 THR  H           4.00    (#    995:1   Unique         2.32, 2.32 A)
 &rst
  ixpk= 995, nxpk= 1, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 GLU  HA           90 GLU  H           3.00    (#    997:1   Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 997, nxpk= 1, iat=1332,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA3          90 GLU  H           3.00    (#    998:1   Preassigned    1.81, 1.81 A)
 &rst
  ixpk= 998, nxpk= 1, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA3          90 GLU  H           3.00    (#    999:1   Preassigned    1.81, 1.81 A)
 &rst
  ixpk= 999, nxpk= 1, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          90 GLU  H           3.00    (#   1003:1   Preassigned    3.02, 3.02 A)
 &rst
  ixpk= 1003, nxpk= 1, iat=1325,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 GLU  HB-          90 GLU  H           3.00    (#   1004:1   Preassigned    3.08, 3.10 A)
# CHANGED TO HB2
 &rst
  ixpk= 1004, nxpk= 1, iat=  1334,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   30 VAL  QG1          30 VAL  H           4.00    (#   1005:1   Preassigned    3.02, 3.69 A)
 &rst
  ixpk= 1005, nxpk= 1, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   30 VAL  QG2          30 VAL  H           3.00    (#   1006:1   Preassigned    2.32, 2.80 A)
 &rst
  ixpk= 1006, nxpk= 1, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 465, 466, 467,
 &end
#
#   29 VAL  QG2          30 VAL  H           4.00    (#   1008:1   Unique         4.16, 4.72 A)
 &rst
  ixpk= 1008, nxpk= 1, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          30 VAL  H           3.00    (#   1009:1   Unique         2.85, 3.38 A)
 &rst
  ixpk= 1009, nxpk= 1, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 445, 446, 447,
 &end
#
#   15 PHE  HD1          16 THR  H           3.00    (#   1013:1   Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 1013, nxpk= 1, iat= 232, 244, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 VAL  HA           30 VAL  H           3.00    (#   1015:1   Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 1015, nxpk= 1, iat= 457, 455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 VAL  HA           30 VAL  H           3.00    (#   1017:1   Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 1017, nxpk= 1, iat= 441, 455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 PHE  HB2          16 THR  H           4.00    (#   1018:1   Unique         3.75, 3.75 A)
 &rst
  ixpk= 1018, nxpk= 1, iat= 228, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HB3          16 THR  H           3.00    (#   1019:1   Preassigned    2.54, 2.54 A)
 &rst
  ixpk= 1019, nxpk= 1, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:1020      0 AMB  1-2:1020    3.00    (#   1020:1   Double Ambig)
 &rst
  ixpk= 1020, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 610, 611,1334,1335,
 igr2= 617,1330,
 &end
#
#   76 GLU  QG           30 VAL  H           3.00    (#   1021:1   Unique         3.95, 4.66 A)
# BIN 3.4 to 4.4
 &rst
  ixpk= 1021, nxpk= 1, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.70,
 igr1=1126,1127,
 &end
#
#   30 VAL  HB           30 VAL  H           3.00    (#   1022:1   Preassigned    3.46, 3.46 A)
# BIN add 0.5
 &rst
  ixpk= 1022, nxpk= 1, iat= 459, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PRO  HG-          90 GLU  H           4.00    (#   1023:1   Unique         4.70, 5.00 A)
# CHANGE TO HG2
# BIN 4.5 to 5
 &rst
  ixpk= 1023, nxpk= 1, iat=  674,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#    0 AMB  1-1:1024      0 AMB  1-2:1024    3.00    (#   1024:1   Double Ambig)
 &rst
  ixpk= 1024, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 345, 346, 250, 251, 252,
 igr2= 352, 244,
 &end
#
#   15 PHE  HA           16 THR  H           3.00    (#   1025:1   Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 1025, nxpk= 1, iat= 226, 244, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HB           16 THR  H           4.00    (#   1030:1   Preassigned    3.94, 3.94 A)
 &rst
  ixpk= 1030, nxpk= 1, iat= 507, 244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HD1          88 VAL  H           4.00    (#   1047:1   Preassigned    3.48, 3.48 A)
 &rst
  ixpk= 1047, nxpk= 1, iat=1294,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HA           50 HIS  H           3.00    (#   1050:1   Preassigned    3.22, 3.22 A)
 &rst
  ixpk= 1050, nxpk= 1, iat=1236, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA  HA           50 HIS  H           3.00    (#   1051:1   Unique         1.88, 1.88 A)
 &rst
  ixpk= 1051, nxpk= 1, iat= 752, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 THR  HA           39 LYS  H           3.00    (#   1054:1   Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 1054, nxpk= 1, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 GLY  HA-          38 THR  H           3.00    (#   1056:1   Preassigned    2.10, 2.51 A)
# CHANGED TO HA3
 &rst
  ixpk= 1056, nxpk= 1, iat=  562, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#    0 AMB  1-1:1057      0 AMB  1-2:1057    4.00    (#   1057:1   Double Ambig)
 &rst
  ixpk= 1057, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1226,1227, 507,
 igr2= 760, 244,
 &end
#
#   42 ARG  QG           43 ILE  H           3.00    (#   1058:1   Preassigned    2.47, 3.07 A)
 &rst
  ixpk= 1058, nxpk= 1, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 634, 635,
 &end
#
#   43 ILE  HB           43 ILE  H           3.00    (#   1059:1   Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 1059, nxpk= 1, iat= 655, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 THR  HG2          43 ILE  H           4.00    (#   1060:1   Unique         3.85, 4.45 A)
 &rst
  ixpk= 1060, nxpk= 1, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#   42 ARG  HA           43 ILE  H           3.00    (#   1064:1   Preassigned    2.13, 2.13 A)
 &rst
  ixpk= 1064, nxpk= 1, iat= 629, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 VAL  HA           88 VAL  H           3.00    (#   1065:1   Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 1065, nxpk= 1, iat=1309,1307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 ILE  HA           43 ILE  H           4.00    (#   1066:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 1066, nxpk= 1, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 THR  HG2          38 THR  H           4.00    (#   1067:1   Preassigned    4.03, 4.27 A)
 &rst
  ixpk= 1067, nxpk= 1, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 573, 574, 575,
 &end
#
#   43 ILE  HG1-         43 ILE  H           4.00    (#   1068:1   Preassigned    2.38, 2.96 A)
# CHANGE TO HG12
 &rst
  ixpk= 1068, nxpk= 1, iat=  661, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   43 ILE  HG1-         43 ILE  H           3.00    (#   1069:1   Preassigned    2.38, 2.96 A)
# CHANGE TO HG12
 &rst
  ixpk= 1069, nxpk= 1, iat=  661, 651, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   43 ILE  QG2          43 ILE  H           4.00    (#   1070:1   Preassigned    4.53, 4.58 A)
 &rst
  ixpk= 1070, nxpk= 1, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 657, 658, 659,
 &end
#
#    0 AMB  1-1:1071      0 AMB  1-2:1071    4.00    (#   1071:1   Double Ambig)
 &rst
  ixpk= 1071, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 541,1437,
 igr2= 567, 366,
 &end
#
#   95 TRP  HH2          23 ASP  H           4.00    (#   1072:1   Preassigned    2.79, 2.79 A)
 &rst
  ixpk= 1072, nxpk= 1, iat=1435, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 GLY  HA+          38 THR  H           4.00    (#   1075:1   Preassigned    2.10, 2.51 A)
# CHANGED TO HA2
 &rst
  ixpk= 1075, nxpk= 1, iat=  562, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   37 GLY  HA+          38 THR  H           4.00    (#   1076:1   Preassigned    2.10, 2.51 A)
# CHANGED TO HA2
 &rst
  ixpk= 1076, nxpk= 1, iat=  562, 567, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   22 THR  HB           23 ASP  H           4.00    (#   1077:1   Preassigned    3.76, 3.76 A)
 &rst
  ixpk= 1077, nxpk= 1, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HA           43 ILE  H           4.00    (#   1080:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 1080, nxpk= 1, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ASP  QB           23 ASP  H           3.00    (#   1082:1   Preassigned    2.55, 2.76 A)
 &rst
  ixpk= 1082, nxpk= 1, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 370, 371,
 &end
#
#   22 THR  HA           23 ASP  H           5.00    (#   1086:1   Preassigned    2.25, 2.25 A)
 &rst
  ixpk= 1086, nxpk= 1, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  HB-          88 VAL  H           4.00    (#   1088:1   Preassigned    2.86, 3.40 A)
# CHANGED TO HB2
 &rst
  ixpk= 1088, nxpk= 1, iat=  1290,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   91 LEU  H            88 VAL  H           4.00    (#   1091:1   Preassigned    3.46, 3.46 A)
 &rst
  ixpk= 1091, nxpk= 1, iat=1345,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HD1          88 VAL  H           4.00    (#   1094:1   Preassigned    3.48, 3.48 A)
 &rst
  ixpk= 1094, nxpk= 1, iat=1294,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HA           88 VAL  H           3.00    (#   1095:1   Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 1095, nxpk= 1, iat=1288,1307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:1097      0 AMB  1-2:1097    3.00    (#   1097:1   Double Ambig)
 &rst
  ixpk= 1097, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 123, 124, 125,1311,
 igr2= 117,1307,
 &end
#
#   88 VAL  QG2          88 VAL  H           4.00    (#   1098:1   Preassigned    3.34, 3.88 A)
 &rst
  ixpk= 1098, nxpk= 1, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1317,1318,1319,
 &end
#
#   19 ARG  HA           20 ALA  H           3.00    (#   1103:1   Preassigned    1.90, 1.90 A)
 &rst
  ixpk= 1103, nxpk= 1, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 ALA  HA           20 ALA  H           4.00    (#   1108:1   Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 1108, nxpk= 1, iat= 330, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 ALA  QB           20 ALA  H           3.00    (#   1117:1   Preassigned    2.62, 3.04 A)
 &rst
  ixpk= 1117, nxpk= 1, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 332, 333, 334,
 &end
#
#   95 TRP  HD1          97 GLN  H           4.00    (#   1119:1   Preassigned    4.25, 4.25 A)
 &rst
  ixpk= 1119, nxpk= 1, iat=1428,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASN  HD22         97 GLN  H           4.00    (#   1120:1   Preassigned    3.64, 3.64 A)
 &rst
  ixpk= 1120, nxpk= 1, iat=1244,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           97 GLN  H           4.00    (#   1123:1   Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 1123, nxpk= 1, iat=1466,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 PRO  HA           97 GLN  H           4.00    (#   1124:1   Preassigned    3.90, 3.90 A)
 &rst
  ixpk= 1124, nxpk= 1, iat=1211,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 PHE  HB+          97 GLN  H           5.00    (#   1125:1   Preassigned    3.33, 3.62 A)
 &rst
  ixpk= 1125, nxpk= 1, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1448,1449,
 &end
#
#   97 GLN  QG           97 GLN  H           4.00    (#   1127:1   Preassigned    4.41, 4.56 A)
 &rst
  ixpk= 1127, nxpk= 1, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   97 GLN  HB-          97 GLN  H           3.00    (#   1132:1   Preassigned    2.37, 2.53 A)
# CHANGED TO HB3
 &rst
  ixpk= 1132, nxpk= 1, iat=  1469,1464, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   59 MET  H            58 ALA  H           4.00    (#   1140:1   Preassigned    4.33, 4.33 A)
# BIN 4 to 4.5
 &rst
  ixpk= 1140, nxpk= 1, iat= 874, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ASN  HD21         97 GLN  H           4.00    (#   1144:1   Preassigned    3.40, 3.40 A)
 &rst
  ixpk= 1144, nxpk= 1, iat=1243,1464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           58 ALA  H           4.00    (#   1145:1   Preassigned    3.88, 3.88 A)
 &rst
  ixpk= 1145, nxpk= 1, iat= 838, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 ALA  HA           58 ALA  H           3.00    (#   1146:1   Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 1146, nxpk= 1, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ALA  QB           58 ALA  H           3.00    (#   1147:1   Preassigned    2.37, 2.78 A)
 &rst
  ixpk= 1147, nxpk= 1, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
#
#   47 ALA  QB           58 ALA  H           4.00    (#   1148:1   Preassigned    2.48, 3.53 A)
 &rst
  ixpk= 1148, nxpk= 1, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 728, 729, 730,
 &end
#
#   57 VAL  QG2          58 ALA  H           4.00    (#   1150:1   Preassigned    3.54, 4.02 A)
 &rst
  ixpk= 1150, nxpk= 1, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   82 GLY  HA+          83 ASP  H           3.00    (#   1154:1   Preassigned    2.05, 2.68 A)
# CHANGED TO HA2
 &rst
  ixpk= 1154, nxpk= 1, iat=  1217,1222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   82 GLY  HA-          83 ASP  H           3.00    (#   1157:1   Preassigned    2.05, 2.68 A)
# CHANGED TO HA3
 &rst
  ixpk= 1157, nxpk= 1, iat=  1218,1222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   82 GLY  HA-          83 ASP  H           3.00    (#   1158:1   Preassigned    2.05, 2.68 A)
# CHANGED TO HA3
 &rst
  ixpk= 1158, nxpk= 1, iat=  1218,1222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   83 ASP  QB           83 ASP  H           3.00    (#   1160:1   Preassigned    2.60, 3.04 A)
 &rst
  ixpk= 1160, nxpk= 1, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1226,1227,
 &end
#
#   96 PHE  HB-          97 GLN  H           3.00    (#   1162:1   Preassigned    3.33, 3.62 A)
 &rst
  ixpk= 1162, nxpk= 1, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1449,
 &end
#
#   82 GLY  HA+          83 ASP  H           3.00    (#   1164:1   Preassigned    2.05, 2.68 A)
# CHANGED TO HA2
 &rst
  ixpk= 1164, nxpk= 1, iat=  1217,1222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   11 ASP  H            12 LYS  H           5.00    (#   1188:1   Preassigned    4.55, 4.55 A)
 &rst
  ixpk= 1188, nxpk= 1, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 LYS  HA           12 LYS  H           3.00    (#   1194:1   Preassigned    2.85, 2.85 A)
 &rst
  ixpk= 1194, nxpk= 1, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 ASP  HB+          12 LYS  H           4.00    (#   1197:1   Preassigned    4.09, 4.15 A)
 &rst
  ixpk= 1197, nxpk= 1, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB-          12 LYS  H           4.00    (#   1199:1   Preassigned    4.09, 4.15 A)
 &rst
  ixpk= 1199, nxpk= 1, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   12 LYS  QB           12 LYS  H           3.00    (#   1202:1   Preassigned    2.54, 3.04 A)
 &rst
  ixpk= 1202, nxpk= 1, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 174, 175,
 &end
#
#   12 LYS  QD           12 LYS  H           4.00    (#   1205:1   Unique         4.45, 4.51 A)
 &rst
  ixpk= 1205, nxpk= 1, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 180, 181,
 &end
#
#   12 LYS  QG           12 LYS  H           3.00    (#   1206:1   Preassigned    2.20, 2.48 A)
 &rst
  ixpk= 1206, nxpk= 1, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 177, 178,
 &end
#
#   15 PHE  HB2          91 LEU  H           5.00    (#   1229:1   Preassigned    3.87, 3.87 A)
 &rst
  ixpk= 1229, nxpk= 1, iat= 228,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 PHE  HD2          91 LEU  H           5.00    (#   1236:1   Preassigned    4.62, 4.62 A)
 &rst
  ixpk= 1236, nxpk= 1, iat= 240,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 TYR  HA           91 LEU  H           4.00    (#   1239:1   Unique         4.32, 4.32 A)
# BIN 4.5
 &rst
  ixpk= 1239, nxpk= 1, iat=1288,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,  &end
#
#   92 LYS  HA           91 LEU  H           4.00    (#   1240:1   Unique         4.83, 4.83 A)
# BIN SD
 &rst
  ixpk= 1240, nxpk= 1, iat=1366,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,  &end
#
#   90 GLU  HA           91 LEU  H           4.00    (#   1244:1   Preassigned    3.44, 3.44 A)
 &rst
  ixpk= 1244, nxpk= 1, iat=1332,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  HA           91 LEU  H           3.00    (#   1245:1   Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 1245, nxpk= 1, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          91 LEU  H           4.00    (#   1247:1   Preassigned    4.40, 4.40 A)
# BIN 4.2
 &rst
  ixpk= 1247, nxpk= 1, iat=1325,1345, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.50,  &end
#
#   90 GLU  HB+          91 LEU  H           5.00    (#   1248:1   Preassigned    4.17, 4.40 A)
# CHANGED TO HB3
 &rst
  ixpk= 1248, nxpk= 1, iat=  1335,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   90 GLU  HB-          91 LEU  H           4.00    (#   1251:1   Preassigned    4.17, 4.40 A)
# CHANGED TO HB2
 &rst
  ixpk= 1251, nxpk= 1, iat=  1334,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   91 LEU  QB           91 LEU  H           3.00    (#   1253:1   Preassigned    1.75, 2.23 A)
 &rst
  ixpk= 1253, nxpk= 1, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1349,1350,
 &end
#
#   88 VAL  HB           91 LEU  H           5.00    (#   1255:1   Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 1255, nxpk= 1, iat=1311,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  HG           91 LEU  H           4.00    (#   1256:1   Preassigned    3.53, 3.53 A)
 &rst
  ixpk= 1256, nxpk= 1, iat=1352,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 LEU  HG           91 LEU  H           3.00    (#   1257:1   Preassigned    3.53, 3.53 A)
# BIN SD 3.0 to 4.0 
 &rst
  ixpk= 1257, nxpk= 1, iat=1352,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,  &end
#
#   91 LEU  QD2          91 LEU  H           4.00    (#   1261:1   Unique         3.79, 4.49 A)
 &rst
  ixpk= 1261, nxpk= 1, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   71 GLY  H            68 GLU  H           5.00    (#   1267:1   Preassigned    3.92, 3.92 A)
 &rst
  ixpk= 1267, nxpk= 1, iat=1059,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 MET  HA           68 GLU  H           4.00    (#   1277:1   Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 1277, nxpk= 1, iat=1001,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 GLU  HG-          68 GLU  H           4.00    (#   1284:1   Preassigned    3.19, 3.80 A)
# CHANGED TO HG2
 &rst
  ixpk= 1284, nxpk= 1, iat= 1023,1016, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   17 TRP  HZ2          92 LYS  H           4.00    (#   1292:1   Preassigned    3.99, 3.99 A)
# BIN 4.0 to 4.3 Questionable ring assignments 
 &rst
  ixpk= 1292, nxpk= 1, iat= 271,1364, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.50,  &end
#
#   92 LYS  HA           92 LYS  H           3.00    (#   1293:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 1293, nxpk= 1, iat=1366,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 LEU  HA           92 LYS  H           3.00    (#   1296:1   Preassigned    1.98, 1.98 A)
 &rst
  ixpk= 1296, nxpk= 1, iat=1347,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 LYS  HB+          92 LYS  H           3.00    (#   1299:1   Preassigned    3.24, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 1299, nxpk= 1, iat=  1369,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    0 AMB  1-1:1300      0 AMB  1-2:1300    3.00    (#   1300:1   Double Ambig)
#&rst
# ixpk= 1300, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
#igr1=1110,1111,1349,1350,
#igr2=1119,1364,
#&end
#
#   91 LEU  QD1          92 LYS  H           5.00    (#   1302:1   Preassigned    2.30, 3.36 A)
 &rst
  ixpk= 1302, nxpk= 1, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD1          92 LYS  H           4.00    (#   1303:1   Preassigned    2.30, 3.36 A)
 &rst
  ixpk= 1303, nxpk= 1, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          92 LYS  H           5.00    (#   1304:1   Unique         4.65, 4.88 A)
 &rst
  ixpk= 1304, nxpk= 1, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#    0 AMB  1-1:1306      0 AMB  1-2:1306    4.00    (#   1306:1   Double Ambig)
 &rst
  ixpk= 1306, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 929,1059,
 igr2=1119,1016,
 &end
#
#   76 GLU  QB           76 GLU  H           3.00    (#   1313:1   Preassigned    3.21, 3.29 A)
 &rst
  ixpk= 1313, nxpk= 1, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   92 LYS  HB-          92 LYS  H           3.00    (#   1315:1   Preassigned    3.24, 3.60 A)
# CHANGED TO HB2
# BIN to 3.3
 &rst
  ixpk= 1315, nxpk= 1, iat=  1368,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   91 LEU  HG           92 LYS  H           5.00    (#   1316:1   Preassigned    2.62, 2.62 A)
 &rst
  ixpk= 1316, nxpk= 1, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  HG           92 LYS  H           3.00    (#   1317:1   Preassigned    2.62, 2.62 A)
 &rst
  ixpk= 1317, nxpk= 1, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ILE  HG1-         76 GLU  H           3.00    (#   1318:1   Preassigned    3.68, 4.24 A)
# CHANGE TO HG13
# BIN to 4
 &rst
  ixpk= 1318, nxpk= 1, iat=  1110,1119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   76 GLU  HA           76 GLU  H           4.00    (#   1321:1   Preassigned    2.81, 2.81 A)
 &rst
  ixpk= 1321, nxpk= 1, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ILE  HA           76 GLU  H           3.00    (#   1322:1   Preassigned    2.21, 2.21 A)
 &rst
  ixpk= 1322, nxpk= 1, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 HIS  HA           26 HIS  H           3.00    (#   1381:1   Preassigned    2.92, 2.92 A)
 &rst
  ixpk= 1381, nxpk= 1, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GLY  HA2          26 HIS  H           4.00    (#   1382:1   Preassigned    3.42, 3.42 A)
 &rst
  ixpk= 1382, nxpk= 1, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLY  HA3          26 HIS  H           4.00    (#   1383:1   Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 1383, nxpk= 1, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 HIS  HB-          26 HIS  H           4.00    (#   1387:1   Preassigned    2.81, 3.35 A)
 &rst
  ixpk= 1387, nxpk= 1, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   26 HIS  HB-          26 HIS  H           4.00    (#   1388:1   Preassigned    2.81, 3.35 A)
 &rst
  ixpk= 1388, nxpk= 1, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   31 MET  HB+          31 MET  H           4.00    (#   1389:1   Preassigned    3.45, 3.74 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 1389, nxpk= 1, iat=  475, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   74 PHE  HD1          75 ILE  H           4.00    (#   1393:1   Preassigned    3.42, 3.42 A)
 &rst
  ixpk= 1393, nxpk= 1, iat=1088,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  HA           31 MET  H           4.00    (#   1395:1   Preassigned    3.79, 3.79 A)
 &rst
  ixpk= 1395, nxpk= 1, iat=1121, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 VAL  HA           31 MET  H           3.00    (#   1396:1   Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1396, nxpk= 1, iat= 457, 471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:1398      0 AMB  1-2:1398    3.00    (#   1398:1   Double Ambig)
 &rst
  ixpk= 1398, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1102, 473,
 igr2=1100, 471,
 &end
#
#   31 MET  HG+          31 MET  H           3.00    (#   1399:1   Preassigned    2.27, 2.85 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 1399, nxpk= 1, iat=  478, 471, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   30 VAL  QG1          31 MET  H           4.00    (#   1401:1   Preassigned    3.86, 4.51 A)
 &rst
  ixpk= 1401, nxpk= 1, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   75 ILE  QG2          31 MET  H           3.00    (#   1402:1   Unique         3.04, 3.87 A)
# BIN METHYL 3.6 to 4.0
 &rst
  ixpk= 1402, nxpk= 1, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1106,1107,1108,
 &end
#
#   74 PHE  HE1          31 MET  H           3.00    (#   1409:1   Preassigned    3.11, 3.11 A)
# BIN add 0.3
 &rst
  ixpk= 1409, nxpk= 1, iat=1090, 471, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,  &end
#
#   32 GLU  HA           75 ILE  H           4.00    (#   1410:1   Preassigned    3.36, 3.36 A)
 &rst
  ixpk= 1410, nxpk= 1, iat= 490,1100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 PHE  HA           75 ILE  H           3.00    (#   1412:1   Preassigned    2.05, 2.05 A)
 &rst
  ixpk= 1412, nxpk= 1, iat=1082,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 PRO  HA           31 MET  H           5.00    (#   1413:1   Preassigned    4.77, 4.77 A)
 &rst
  ixpk= 1413, nxpk= 1, iat= 348, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 ALA  HA           59 MET  H           3.00    (#   1414:1   Unique         1.75, 1.75 A)
 &rst
  ixpk= 1414, nxpk= 1, iat= 866, 874, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 MET  QG           59 MET  H           4.00    (#   1417:1   Preassigned    3.44, 3.86 A)
 &rst
  ixpk= 1417, nxpk= 1, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 881, 882,
 &end
#
#   31 MET  HG-          31 MET  H           3.00    (#   1418:1   Unique         2.27, 2.85 A)
# CHANGED TO MET HG3
# BIN to 4
 &rst
  ixpk= 1418, nxpk= 1, iat=  479, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   44 PRO  HB-          89 GLY  H           3.00    (#   1419:1   Preassigned    3.07, 3.84 A)
# CHANGED TO HB2
 &rst
  ixpk= 1419, nxpk= 1, iat=  677,1323, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#    0 AMB  1-1:1420      0 AMB  1-2:1420    3.00    (#   1420:1   Double Ambig)
 &rst
  ixpk= 1420, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 674, 675, 495, 496,
 igr2=1323,1080,
 &end
#
#   77 MET  HB-          59 MET  H           4.00    (#   1421:1   Preassigned    3.07, 3.87 A)
# CHANGED TO HB2
 &rst
  ixpk= 1421, nxpk= 1, iat=  1138, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   77 MET  HB-          59 MET  H           4.00    (#   1422:1   Preassigned    3.07, 3.87 A)
# CHANGED TO HB2
 &rst
  ixpk= 1422, nxpk= 1, iat=  1138, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HG1+         75 ILE  H           3.00    (#   1423:1   Preassigned    3.10, 3.47 A)
# CHANGE TO HG13
 &rst
  ixpk= 1423, nxpk= 1, iat=  1111,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 &end
#
#   58 ALA  QB           59 MET  H           3.00    (#   1425:1   Preassigned    2.86, 3.53 A)
 &rst
  ixpk= 1425, nxpk= 1, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
#
#   75 ILE  HB           75 ILE  H           3.00    (#   1426:1   Preassigned    2.36, 2.36 A)
 &rst
  ixpk= 1426, nxpk= 1, iat=1104,1100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  1-1:1430      0 AMB  1-2:1430    3.00    (#   1430:1   Double Ambig)
 &rst
  ixpk= 1430, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1110,1111,1181,1182,1183,
 igr2=1100, 874,
 &end
#
#   79 LEU  QD2          59 MET  H           3.00    (#   1431:1   Preassigned    3.49, 4.03 A)
# BIN METHYL 3.6 to 4.0
# REMOVE, MIS ASSIGNED NOT SEEN IN N15 NOE
#&rst
# ixpk= 1431, nxpk= 1, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
#igr1=1181,1182,1183,
#&end
#
#   45 VAL  HA           89 GLY  H           4.00    (#   1433:1   Preassigned    3.43, 3.43 A)
 &rst
  ixpk= 1433, nxpk= 1, iat= 686,1323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 GLY  HA3          89 GLY  H           3.00    (#   1434:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 1434, nxpk= 1, iat=1326,1323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          89 GLY  H           3.00    (#   1436:1   Preassigned    2.50, 2.50 A)
 &rst
  ixpk= 1436, nxpk= 1, iat=1325,1323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PRO  HD2          89 GLY  H           5.00    (#   1437:1   Unique         4.19, 4.19 A)
 &rst
  ixpk= 1437, nxpk= 1, iat= 671,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 PHE  QB           74 PHE  H           3.00    (#   1439:1   Preassigned    2.13, 2.39 A)
 &rst
  ixpk= 1439, nxpk= 1, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1084,1085,
 &end
#
#   32 GLU  QB            0 AMB  1-2:1440    5.00    (#   1440:1   Single Ambig)
 &rst
  ixpk= 1440, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 492, 493,
 igr2=1100,1080,
 &end
#
#   44 PRO  HG+          89 GLY  H           3.00    (#   1442:1   Preassigned    2.52, 3.31 A)
# CHANGED TO HG3
# BIN 3.5
 &rst
  ixpk= 1442, nxpk= 1, iat=  675,1323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   78 GLN  HB-          59 MET  H           4.00    (#   1443:1   Preassigned    4.44, 4.95 A)
# BIN TO 5
# CHANGED TO HB2
 &rst
  ixpk= 1443, nxpk= 1, iat=  1155, 874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   97 GLN  HE21         99 GLY  H           4.00    (#   1460:1   Unique         3.41, 3.41 A)
 &rst
  ixpk= 1460, nxpk= 1, iat=1476,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 LYS  HA           99 GLY  H           3.00    (#   1463:1   Preassigned    3.26, 3.26 A)
# BIN 3.3
 &rst
  ixpk= 1463, nxpk= 1, iat=1483,1503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,  &end
#
#   99 GLY  HA2          99 GLY  H           3.00    (#   1465:1   Preassigned    2.23, 2.23 A)
 &rst
  ixpk= 1465, nxpk= 1, iat=1505,1503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 GLY  HA3          99 GLY  H           4.00    (#   1466:1   Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 1466, nxpk= 1, iat=1506,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 GLY  HA3          99 GLY  H           4.00    (#   1467:1   Preassigned    2.84, 2.84 A)
 &rst
  ixpk= 1467, nxpk= 1, iat=1506,1503, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 LYS  QB           99 GLY  H           3.00    (#   1471:1   Preassigned    2.78, 3.43 A)
 &rst
  ixpk= 1471, nxpk= 1, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1485,1486,
 &end
#
#   98 LYS  HG-          99 GLY  H           5.00    (#   1474:1   Unique         4.25, 4.79 A)
# CHANGED TO HG3
 &rst
  ixpk= 1474, nxpk= 1, iat=  1489,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   35 PHE  HZ           11 ASP  H           3.00    (#   1498:1   Preassigned    2.32, 2.32 A)
 &rst
  ixpk= 1498, nxpk= 1, iat= 541, 158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 ASP  HB+          11 ASP  H           3.00    (#   1503:1   Preassigned    2.59, 2.64 A)
 &rst
  ixpk= 1503, nxpk= 1, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB-          11 ASP  H           3.00    (#   1505:1   Preassigned    2.59, 2.64 A)
 &rst
  ixpk= 1505, nxpk= 1, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   10 CYS  HB+          11 ASP  H           4.00    (#   1506:1   Preassigned    2.98, 3.46 A)
# CHANGED TO HB3
 &rst
  ixpk= 1506, nxpk= 1, iat=  153, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB-          11 ASP  H           4.00    (#   1507:1   Preassigned    2.98, 3.46 A)
# CHANGED TO HB2
 &rst
  ixpk= 1507, nxpk= 1, iat=  152, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HA           11 ASP  H           3.00    (#   1510:1   Preassigned    2.09, 2.09 A)
 &rst
  ixpk= 1510, nxpk= 1, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 VAL  HA           45 VAL  H           4.00    (#   1512:1   Preassigned    4.24, 4.24 A)
# BIN
 &rst
  ixpk= 1512, nxpk= 1, iat=1309, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PRO  HB+          45 VAL  H           4.00    (#   1514:1   Preassigned    4.40, 4.57 A)
# CHANGED TO HB3
 &rst
  ixpk= 1514, nxpk= 1, iat=  678, 684, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   45 VAL  HA           45 VAL  H           4.00    (#   1521:1   Preassigned    2.75, 2.75 A)
 &rst
  ixpk= 1521, nxpk= 1, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 VAL  HB           45 VAL  H           4.00    (#   1525:1   Preassigned    2.30, 2.30 A)
 &rst
  ixpk= 1525, nxpk= 1, iat= 688, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 VAL  QG1          45 VAL  H           3.00    (#   1526:1   Preassigned    4.04, 4.12 A)
 &rst
  ixpk= 1526, nxpk= 1, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 690, 691, 692,
 &end
#
#   45 VAL  QG2          45 VAL  H           4.00    (#   1527:1   Preassigned    1.72, 2.56 A)
 &rst
  ixpk= 1527, nxpk= 1, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 694, 695, 696,
 &end
#
#   43 ILE  QG2          45 VAL  H           4.00    (#   1528:1   Preassigned    3.46, 4.50 A)
 &rst
  ixpk= 1528, nxpk= 1, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 657, 658, 659,
 &end
#
#   52 ALA  HA           52 ALA  H           3.00    (#   1533:1   Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 1533, nxpk= 1, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 HIS  HA           52 ALA  H           4.00    (#   1536:1   Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 1536, nxpk= 1, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 GLY  HA+          52 ALA  H           4.00    (#   1537:1   Preassigned    3.46, 3.58 A)
 &rst
  ixpk= 1537, nxpk= 1, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 779, 780,
 &end
#
#   53 PRO  HD-          52 ALA  H           4.00    (#   1539:1   Unique         4.20, 4.54 A)
 &rst
  ixpk= 1539, nxpk= 1, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 795, 796,
 &end
#
#   43 ILE  HB           45 VAL  H           4.00    (#   1540:1   Unique         4.37, 4.37 A)
 &rst
  ixpk= 1540, nxpk= 1, iat= 655, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ALA  QB           52 ALA  H           3.00    (#   1541:1   Preassigned    2.80, 3.14 A)
 &rst
  ixpk= 1541, nxpk= 1, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 788, 789, 790,
 &end
#
#   95 TRP  HB+          96 PHE  H           5.00    (#   1548:1   Preassigned    4.40, 4.47 A)
# CHANGED TO HB2
 &rst
  ixpk= 1548, nxpk= 1, iat=  1424,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   96 PHE  HB+          96 PHE  H           3.00    (#   1557:1   Preassigned    3.16, 3.44 A)
 &rst
  ixpk= 1557, nxpk= 1, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1449,
 &end
#
#   96 PHE  HB-          96 PHE  H           3.00    (#   1559:1   Preassigned    3.16, 3.44 A)
 &rst
  ixpk= 1559, nxpk= 1, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1449,
 &end
#
#   36 SER  HA           36 SER  H           4.00    (#   1567:1   Preassigned    2.90, 2.90 A)
 &rst
  ixpk= 1567, nxpk= 1, iat= 551, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HA           36 SER  H           5.00    (#   1570:1   Preassigned    3.58, 3.58 A)
 &rst
  ixpk= 1570, nxpk= 1, iat= 226, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HA           36 SER  H           3.00    (#   1571:1   Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 1571, nxpk= 1, iat= 531, 549, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 SER  HB+          36 SER  H           5.00    (#   1573:1   Preassigned    2.41, 2.51 A)
 &rst
  ixpk= 1573, nxpk= 1, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 553, 554,
 &end
#
#   36 SER  HB-          36 SER  H           4.00    (#   1578:1   Preassigned    2.41, 2.51 A)
 &rst
  ixpk= 1578, nxpk= 1, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 553, 554,
 &end
#
#   35 PHE  HD1          36 SER  H           5.00    (#   1588:1   Preassigned    4.19, 4.19 A)
 &rst
  ixpk= 1588, nxpk= 1, iat= 537, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 ASN  HA           64 ASN  HD21        5.00    (#   1630:1   Unique         4.67, 4.67 A)
 &rst
  ixpk= 1630, nxpk= 1, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 ASN  HA           64 ASN  HD21        5.00    (#   1631:1   Unique         4.67, 4.67 A)
 &rst
  ixpk= 1631, nxpk= 1, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 GLN  HA           97 GLN  HE22        4.00    (#   1632:1   Preassigned    4.07, 4.07 A)
# BIN 4.3
 &rst
  ixpk= 1632, nxpk= 1, iat=1466,1477, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   81 PRO  HA           97 GLN  HE22        4.00    (#   1633:1   Preassigned    4.15, 4.15 A)
 &rst
  ixpk= 1633, nxpk= 1, iat=1211,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  QG           97 GLN  HE22        3.00    (#   1635:1   Preassigned    2.19, 2.67 A)
 &rst
  ixpk= 1635, nxpk= 1, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1471,1472,
 &end
#
#   97 GLN  HB-          97 GLN  HE22        4.00    (#   1639:1   Preassigned    4.49, 4.54 A)
# CHANGED TO HB3
 &rst
  ixpk= 1639, nxpk= 1, iat=  1469,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          97 GLN  HE22        5.00    (#   1647:1   Unique         4.39, 4.80 A)
# CHANGED TO HB2
 &rst
  ixpk= 1647, nxpk= 1, iat=  1172,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  HB+          97 GLN  HE22        5.00    (#   1648:1   Unique         4.39, 4.80 A)
# CHANGED TO HB2
 &rst
  ixpk= 1648, nxpk= 1, iat=  1172,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   17 TRP  HB+          17 TRP  HD1         3.00    (#   1672:1   Preassigned    2.55, 3.09 A)
# CHANGED TO HB3
 &rst
  ixpk= 1672, nxpk= 1, iat=  263, 266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   17 TRP  HB-          17 TRP  HD1         3.00    (#   1673:1   Preassigned    2.55, 3.09 A)
# CHANGED TO HB2
 &rst
  ixpk= 1673, nxpk= 1, iat=  262, 266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   16 THR  HA           17 TRP  HD1         5.00    (#   1675:1   Preassigned    4.73, 4.73 A)
 &rst
  ixpk= 1675, nxpk= 1, iat= 246, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  HG           17 TRP  HD1         4.00    (#   1684:1   Preassigned    4.22, 4.22 A)
 &rst
  ixpk= 1684, nxpk= 1, iat=1352, 266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 ALA  QB           17 TRP  HD1         5.00    (#   1685:1   Unique         3.72, 4.35 A)
 &rst
  ixpk= 1685, nxpk= 1, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 332, 333, 334,
 &end
#
#   91 LEU  QD1          17 TRP  HD1         4.00    (#   1686:1   Preassigned    2.71, 3.60 A)
 &rst
  ixpk= 1686, nxpk= 1, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          17 TRP  HD1         5.00    (#   1687:1   Preassigned    3.61, 4.64 A)
 &rst
  ixpk= 1687, nxpk= 1, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1358,1359,1360,
 &end
#
#   17 TRP  HA           17 TRP  HE3         4.00    (#   1695:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 1695, nxpk= 1, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 GLN  HG3          78 GLN  HE21        3.00    (#   1700:1   Preassigned    3.46, 3.46 A)
# BIN 3 to 3.5
 &rst
  ixpk= 1700, nxpk= 1, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  1-1:1702      0 AMB  1-2:1702    4.00    (#   1702:1   Double Ambig)
 &rst
  ixpk= 1702, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 345, 346, 431, 432, 433,
 igr2=1437,1163,
 &end
#
#   17 TRP  HZ3          17 TRP  HE3         4.00    (#   1710:1   Preassigned    2.69, 2.69 A)
 &rst
  ixpk= 1710, nxpk= 1, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HH2          17 TRP  HE3         4.00    (#   1711:1   Preassigned    4.14, 4.14 A)
 &rst
  ixpk= 1711, nxpk= 1, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HA           62 THR  H           4.00    (#   1712:1   Preassigned    3.87, 3.87 A)
 &rst
  ixpk= 1712, nxpk= 1, iat=1136, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 VAL  HA           45 VAL  QG1         4.00    (#   1713:1   Preassigned    2.54, 2.94 A)
 &rst
  ixpk= 1713, nxpk= 1, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 690, 691, 692,
 &end
#
#   17 TRP  HA           17 TRP  HE3         4.00    (#   1714:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 1714, nxpk= 1, iat= 260, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 THR  HB           62 THR  H           4.00    (#   1716:1   Preassigned    3.93, 3.93 A)
 &rst
  ixpk= 1716, nxpk= 1, iat= 933, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 THR  HB           35 PHE  HZ          4.00    (#   1717:1   Unique         4.84, 4.84 A)
# BIN 5
 &rst
  ixpk= 1717, nxpk= 1, iat= 571, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,  &end
#
#   20 ALA  HA           17 TRP  HE3         4.00    (#   1718:1   Preassigned    2.35, 2.35 A)
 &rst
  ixpk= 1718, nxpk= 1, iat= 330, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 TRP  HB+          17 TRP  HE3         4.00    (#   1719:1   Preassigned    2.73, 3.46 A)
# CHANGED TO HB3
 &rst
  ixpk= 1719, nxpk= 1, iat=  263, 277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   76 GLU  QB           62 THR  H           4.00    (#   1720:1   Preassigned    3.63, 4.38 A)
 &rst
  ixpk= 1720, nxpk= 1, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   61 ILE  HB           62 THR  H           3.00    (#   1722:1   Preassigned    3.24, 3.24 A)
 &rst
  ixpk= 1722, nxpk= 1, iat= 914, 929, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  HG2          62 THR  H           3.00    (#   1723:1   Preassigned    2.71, 3.63 A)
 &rst
  ixpk= 1723, nxpk= 1, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 935, 936, 937,
 &end
#
#   33 VAL  QG1          17 TRP  HE3         3.00    (#   1726:1   Preassigned    2.72, 3.11 A)
 &rst
  ixpk= 1726, nxpk= 1, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 509, 510, 511,
 &end
#
#   95 TRP  HH2           0 AMB  1-2:1734    3.00    (#   1734:1   Single Ambig)
 &rst
  ixpk= 1734, nxpk= 1, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1433,1437,
 &end
#
#   62 THR  HB           62 THR  H           4.00    (#   1738:1   Preassigned    3.93, 3.93 A)
 &rst
  ixpk= 1738, nxpk= 1, iat= 933, 929, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 LEU  HA           62 THR  H           3.00    (#   1739:1   Preassigned    3.25, 3.25 A)
# BIN 3.3
 &rst
  ixpk= 1739, nxpk= 1, iat= 893, 929, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,  &end
#
#   23 ASP  QB           95 TRP  HZ2         3.00    (#   1740:1   Preassigned    3.39, 4.22 A)
 &rst
  ixpk= 1740, nxpk= 1, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 370, 371,
 &end
#
#   21 PRO  HD-          17 TRP  HE3         5.00    (#   1743:1   Preassigned    3.61, 4.39 A)
# CHANGED TO HD3
 &rst
  ixpk= 1743, nxpk= 1, iat=  340, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   61 ILE  QG2          62 THR  H           4.00    (#   1745:1   Preassigned    4.57, 4.96 A)
 &rst
  ixpk= 1745, nxpk= 1, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 916, 917, 918,
 &end
#
#   20 ALA  QB           17 TRP  HE3         4.00    (#   1746:1   Unique         4.00, 4.53 A)
 &rst
  ixpk= 1746, nxpk= 1, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 332, 333, 334,
 &end
#
#   29 VAL  QG2          95 TRP  HZ2         3.00    (#   1747:1   Preassigned    2.53, 3.26 A)
 &rst
  ixpk= 1747, nxpk= 1, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 449, 450, 451,
 &end
#
#   17 TRP  HZ3          17 TRP  HE3         4.00    (#   1754:1   Preassigned    2.69, 2.69 A)
 &rst
  ixpk= 1754, nxpk= 1, iat= 275, 277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 CYS  HA           35 PHE  HZ          4.00    (#   1756:1   Preassigned    3.25, 3.25 A)
 &rst
  ixpk= 1756, nxpk= 1, iat= 150, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 GLY  HA-          35 PHE  HZ          3.00    (#   1759:1   Preassigned    2.70, 3.49 A)
# CHANGED TO HA3
 &rst
  ixpk= 1759, nxpk= 1, iat=  563, 541, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   11 ASP  HB+          35 PHE  HZ          3.00    (#   1760:1   Preassigned    3.08, 3.27 A)
 &rst
  ixpk= 1760, nxpk= 1, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB-          35 PHE  HZ          3.00    (#   1762:1   Preassigned    3.08, 3.27 A)
 &rst
  ixpk= 1762, nxpk= 1, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   10 CYS  HB+          35 PHE  HZ          4.00    (#   1763:1   Preassigned    3.75, 4.53 A)
# CHANGED TO HB3
 &rst
  ixpk= 1763, nxpk= 1, iat=  153, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB-          35 PHE  HZ          4.00    (#   1764:1   Preassigned    3.75, 4.53 A)
# CHANGED TO HB2
 &rst
  ixpk= 1764, nxpk= 1, iat=  152, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   88 VAL  QG2          45 VAL  QG1         4.00    (#   1768:1   Preassigned    2.77, 4.52 A)
 &rst
  ixpk= 1768, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1317,1318,1319,
 igr2= 690, 691, 692,
 &end
#
#   29 VAL  QG1          95 TRP  HZ2         4.00    (#   1769:1   Preassigned    3.95, 4.56 A)
 &rst
  ixpk= 1769, nxpk= 1, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 445, 446, 447,
 &end
#
#   95 TRP  HE3          95 TRP  HZ3         3.00    (#   1773:1   Preassigned    2.34, 2.34 A)
 &rst
  ixpk= 1773, nxpk= 1, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 ASP  HB+          35 PHE  HZ          3.00    (#   1776:1   Preassigned    3.08, 3.27 A)
 &rst
  ixpk= 1776, nxpk= 1, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#    0 AMB  1-1:1777      0 AMB  1-2:1777    3.00    (#   1777:1   Double Ambig)
# CHANGE TO K14 HB2 to F35 HZ
 &rst
  ixpk= 1777, nxpk= 1, iat=  206,  541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   74 PHE  HA           74 PHE  HD1         5.00    (#   1862:1   Preassigned    2.34, 2.34 A)
 &rst
  ixpk= 1862, nxpk= 1, iat=1082,1088, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 PHE  QB           74 PHE  HD2         3.00    (#   1864:1   Preassigned    2.25, 2.92 A)
 &rst
  ixpk= 1864, nxpk= 1, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1084,1085,
 &end
#
#   32 GLU  HG-          74 PHE  HD1         3.00    (#   1865:1   Unique         2.99, 3.62 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 1865, nxpk= 1, iat=  496,1088, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   62 THR  HG2          74 PHE  HD2         3.00    (#   1867:1   Preassigned    3.47, 4.43 A)
 &rst
  ixpk= 1867, nxpk= 1, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 935, 936, 937,
 &end
#
#   14 LYS  H            15 PHE  HD2         4.00    (#   1883:1   Preassigned    3.59, 3.59 A)
 &rst
  ixpk= 1883, nxpk= 1, iat= 202, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HE2          15 PHE  HD2         3.00    (#   1884:1   Unique         2.24, 2.24 A)
 &rst
  ixpk= 1884, nxpk= 1, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 PHE  HZ            0 AMB  1-2:1885    4.00    (#   1885:1   Single Ambig)
 &rst
  ixpk= 1885, nxpk= 1, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 240, 232,
 &end
#
#   15 PHE  HA           15 PHE  HD1         3.00    (#   1886:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 1886, nxpk= 1, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 VAL  HA           15 PHE  HD1         4.00    (#   1887:1   Preassigned    4.39, 4.39 A)
# BIN to 5 
 &rst
  ixpk= 1887, nxpk= 1, iat= 505, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HA           15 PHE  HD1         4.00    (#   1888:1   Preassigned    3.57, 3.57 A)
 &rst
  ixpk= 1888, nxpk= 1, iat= 531, 232, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 LYS  HA           15 PHE  HD2         3.00    (#   1893:1   Preassigned    2.39, 2.39 A)
 &rst
  ixpk= 1893, nxpk= 1, iat= 172, 240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 GLY  HA2          15 PHE  HD2         4.00    (#   1896:1   Unique         4.42, 4.42 A)
 &rst
  ixpk= 1896, nxpk= 1, iat=1325, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:1898     15 PHE  HD2         4.00    (#   1898:1   Single Ambig)
 &rst
  ixpk= 1898, nxpk= 1, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 671, 672,
 &end
#
#   15 PHE  HB2          15 PHE  HD2         3.00    (#   1899:1   Preassigned    2.42, 2.42 A)
 &rst
  ixpk= 1899, nxpk= 1, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HB+          15 PHE  HD1         4.00    (#   1901:1   Preassigned    3.15, 3.93 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 1901, nxpk= 1, iat=  533, 232, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   15 PHE  HB3          15 PHE  HD1         3.00    (#   1902:1   Preassigned    2.36, 2.36 A)
 &rst
  ixpk= 1902, nxpk= 1, iat= 229, 232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HB-          15 PHE  HD1         5.00    (#   1905:1   Preassigned    3.15, 3.93 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 1905, nxpk= 1, iat=  534, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   33 VAL  HB           15 PHE  HD1         3.00    (#   1907:1   Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 1907, nxpk= 1, iat= 507, 232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PRO  HG+          15 PHE  HD2         4.00    (#   1909:1   Preassigned    3.87, 3.97 A)
# CHANGED TO HG3
 &rst
  ixpk= 1909, nxpk= 1, iat=  675, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   91 LEU  QB           15 PHE  HD2         5.00    (#   1913:1   Preassigned    4.09, 4.45 A)
 &rst
  ixpk= 1913, nxpk= 1, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1349,1350,
 &end
#
#   33 VAL  QG2          15 PHE  HD1         3.00    (#   1916:1   Preassigned    2.90, 3.59 A)
 &rst
  ixpk= 1916, nxpk= 1, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 513, 514, 515,
 &end
#
#   33 VAL  QG1          15 PHE  HD1         4.00    (#   1917:1   Preassigned    3.71, 4.34 A)
 &rst
  ixpk= 1917, nxpk= 1, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   91 LEU  QB           15 PHE  HD2         4.00    (#   1922:1   Preassigned    4.09, 4.45 A)
 &rst
  ixpk= 1922, nxpk= 1, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1349,1350,
 &end
#
#   27 ASP  HA           97 GLN  HE21        5.00    (#   1924:1   Preassigned    3.61, 3.61 A)
 &rst
  ixpk= 1924, nxpk= 1, iat= 415,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 LYS  HA           97 GLN  HE21        4.00    (#   1933:1   Preassigned    3.37, 3.37 A)
 &rst
  ixpk= 1933, nxpk= 1, iat=1483,1476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           97 GLN  HE21        4.00    (#   1939:1   Preassigned    3.81, 3.81 A)
 &rst
  ixpk= 1939, nxpk= 1, iat=1466,1476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  QG           97 GLN  HE21        4.00    (#   1943:1   Preassigned    3.37, 3.64 A)
 &rst
  ixpk= 1943, nxpk= 1, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1471,1472,
 &end
#
#   76 GLU  QB           74 PHE  HE2         4.00    (#   1945:1   Preassigned    3.17, 3.86 A)
 &rst
  ixpk= 1945, nxpk= 1, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   97 GLN  HB-          97 GLN  HE21        5.00    (#   1946:1   Preassigned    4.77, 4.98 A)
# CHANGED TO HB3
 &rst
  ixpk= 1946, nxpk= 1, iat=  1469,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   97 GLN  HB-          97 GLN  HE21        5.00    (#   1947:1   Preassigned    4.77, 4.98 A)
# CHANGED TO HB3
 &rst
  ixpk= 1947, nxpk= 1, iat=  1469,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  HB+          97 GLN  HE21        4.00    (#   1948:1   Unique         4.30, 4.94 A)
# CHANGED TO HB2
 &rst
  ixpk= 1948, nxpk= 1, iat=  1172,1476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   32 GLU  HA           74 PHE  HE1         5.00    (#   1953:1   Unique         4.22, 4.22 A)
 &rst
  ixpk= 1953, nxpk= 1, iat= 490,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 GLU  HA           74 PHE  HE1         4.00    (#   1954:1   Unique         4.22, 4.22 A)
# BIN 4 to 4.3
 &rst
  ixpk= 1954, nxpk= 1, iat= 490,1090, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.50,  &end
#
#   74 PHE  HA           74 PHE  HE1         3.00    (#   1956:1   Preassigned    3.35, 3.35 A)
# BIN 4
 &rst
  ixpk= 1956, nxpk= 1, iat=1082,1090, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ILE  HA           74 PHE  HE2         4.00    (#   1957:1   Preassigned    4.65, 4.65 A)
 &rst
  ixpk= 1957, nxpk= 1, iat=1102,1094, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.70,  &end
#
#   37 GLY  H            35 PHE  HD2         5.00    (#   1958:1   Preassigned    2.79, 2.79 A)
 &rst
  ixpk= 1958, nxpk= 1, iat= 560, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 PHE  QB            0 AMB  1-2:1962    3.00    (#   1962:1   Single Ambig)
# BIN SD
 &rst
  ixpk= 1962, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1084,1085,
 igr2=1094,1090,
 &end
#
#   32 GLU  QB           74 PHE  HE1         3.00    (#   1964:1   Unique         3.17, 3.92 A)
 &rst
  ixpk= 1964, nxpk= 1, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 492, 493,
 &end
#
#   62 THR  HG2          74 PHE  HE2         3.00    (#   1967:1   Unique         3.51, 4.40 A)
 &rst
  ixpk= 1967, nxpk= 1, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 935, 936, 937,
 &end
#
#   30 VAL  QG1          74 PHE  HE1         4.00    (#   1968:1   Preassigned    4.11, 4.61 A)
 &rst
  ixpk= 1968, nxpk= 1, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   95 TRP  HE3          95 TRP  HH2         4.00    (#   1976:1   Preassigned    4.19, 4.19 A)
# BIN 4.2
 &rst
  ixpk= 1976, nxpk= 1, iat=1439,1435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.50,  &end
#
#   23 ASP  QB           95 TRP  HH2         3.00    (#   1980:1   Preassigned    2.35, 3.20 A)
 &rst
  ixpk= 1980, nxpk= 1, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 370, 371,
 &end
#
#   29 VAL  QG2          97 GLN  HE21        4.00    (#   1982:1   Preassigned    4.26, 4.56 A)
 &rst
  ixpk= 1982, nxpk= 1, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   28 THR  HA           28 THR  H           4.00    (#   1998:1   Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 1998, nxpk= 1, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ASP  HA           28 THR  H           3.00    (#   2000:1   Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 2000, nxpk= 1, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 SER  QB           28 THR  H           4.00    (#   2003:1   Preassigned    3.87, 4.18 A)
 &rst
  ixpk= 2003, nxpk= 1, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 382, 383,
 &end
#
#   26 HIS  HB+          28 THR  H           4.00    (#   2005:1   Preassigned    3.62, 4.11 A)
 &rst
  ixpk= 2005, nxpk= 1, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   26 HIS  HB+          28 THR  H           4.00    (#   2006:1   Preassigned    3.62, 4.11 A)
 &rst
  ixpk= 2006, nxpk= 1, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 400, 401,
 &end
#
#   27 ASP  HB2          28 THR  H           5.00    (#   2007:1   Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 2007, nxpk= 1, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ASP  HB2          28 THR  H           4.00    (#   2008:1   Preassigned    4.28, 4.28 A)
 &rst
  ixpk= 2008, nxpk= 1, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 ASP  HB+          55 VAL  H           4.00    (#   2009:1   Preassigned    3.34, 3.82 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 2009, nxpk= 1, iat=  813, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   54 ASP  HB+          55 VAL  H           4.00    (#   2010:1   Preassigned    3.34, 3.82 A)
# CHANGED TO D54 HB3
 &rst
  ixpk= 2010, nxpk= 1, iat=  813, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   28 THR  HG2          28 THR  H           4.00    (#   2016:1   Preassigned    3.51, 4.15 A)
 &rst
  ixpk= 2016, nxpk= 1, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 431, 432, 433,
 &end
#
#   55 VAL  HA           55 VAL  H           3.00    (#   2021:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 2021, nxpk= 1, iat= 822, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 ASP  HB-          55 VAL  H           4.00    (#   2023:1   Preassigned    3.34, 3.82 A)
# CHANGED TO D54 HB2
 &rst
  ixpk= 2023, nxpk= 1, iat=  812, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.00,
 &end
#
#   55 VAL  HB           55 VAL  H           3.00    (#   2024:1   Preassigned    2.83, 2.83 A)
 &rst
  ixpk= 2024, nxpk= 1, iat= 824, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ALA  QB           55 VAL  H           4.00    (#   2025:1   Preassigned    3.64, 4.11 A)
 &rst
  ixpk= 2025, nxpk= 1, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 788, 789, 790,
 &end
#
#   55 VAL  QQG          55 VAL  H           3.00    (#   2028:1   Preassigned    2.61, 4.14 A)
 &rst
  ixpk= 2028, nxpk= 1, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   53 PRO  HA           55 VAL  H           4.00    (#   2033:1   Unique         3.97, 3.97 A)
 &rst
  ixpk= 2033, nxpk= 1, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HB+          95 TRP  HE3         4.00    (#   2079:1   Preassigned    3.13, 3.71 A)
# CHANGED TO HB2
 &rst
  ixpk= 2079, nxpk= 1, iat=  1424,1439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   29 VAL  QG1          95 TRP  HE3         5.00    (#   2080:1   Preassigned    4.26, 4.62 A)
 &rst
  ixpk= 2080, nxpk= 1, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 445, 446, 447,
 &end
#
#   21 PRO  HA           95 TRP  HE3         5.00    (#   2084:1   Unique         4.96, 4.96 A)
 &rst
  ixpk= 2084, nxpk= 1, iat= 348,1439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 GLY  HA2          87 TYR  HD1         5.00    (#   2089:1   Unique         4.73, 4.73 A)
 &rst
  ixpk= 2089, nxpk= 1, iat=1325,1294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 LYS  HB-          14 LYS  H           3.00    (#   2101:1   Preassigned    2.96, 3.48 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 2101, nxpk= 1, iat=  206, 202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 206, 207,
 &end
#
#   14 LYS  HA           14 LYS  H           3.00    (#   2104:1   Preassigned    3.00, 3.00 A)
 &rst
  ixpk= 2104, nxpk= 1, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA  QB           14 LYS  H           4.00    (#   2113:1   Preassigned    4.06, 4.48 A)
 &rst
  ixpk= 2113, nxpk= 1, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 196, 197, 198,
 &end
#
#   14 LYS  HG+          14 LYS  H           3.00    (#   2114:1   Preassigned    3.02, 3.73 A)
 &rst
  ixpk= 2114, nxpk= 1, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 209, 210,
 &end
#
#   14 LYS  HG-          14 LYS  H           3.00    (#   2115:1   Preassigned    3.02, 3.73 A)
 &rst
  ixpk= 2115, nxpk= 1, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 209, 210,
 &end
#
#    0 AMB  1-1:2119      0 AMB  1-2:2119    3.00    (#   2119:1   Double Ambig)
 &rst
  ixpk= 2119, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1296,1301,1296,1301,
 igr2=1303,1294,
 &end
#
#    0 AMB  1-1:2120      0 AMB  1-2:2120    3.00    (#   2120:1   Double Ambig)
 &rst
  ixpk= 2120, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1296,1301,1296,1301,
 igr2=1303,1294,
 &end
#
#   87 TYR  HA           87 TYR  HD1         3.00    (#   2121:1   Preassigned    3.03, 3.03 A)
 &rst
  ixpk= 2121, nxpk= 1, iat=1288,1294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 GLU  HA           87 TYR  HD1         4.00    (#   2122:1   Preassigned    2.14, 2.14 A)
 &rst
  ixpk= 2122, nxpk= 1, iat=1332,1294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  1-1:2123      0 AMB  1-2:2123    4.00    (#   2123:1   Double Ambig)
 &rst
  ixpk= 2123, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1269, 172,
 igr2=1303, 202,
 &end
#
#   87 TYR  HB+          87 TYR  HD1         3.00    (#   2127:1   Unique         2.29, 2.93 A)
# CHANGED TO HB3
 &rst
  ixpk= 2127, nxpk= 1, iat=  1291,1294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   87 TYR  HB+          87 TYR  HD1         3.00    (#   2128:1   Unique         2.29, 2.93 A)
# CHANGED TO HB3
 &rst
  ixpk= 2128, nxpk= 1, iat= 1291,1294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   46 ARG  HD2          87 TYR  HD2         4.00    (#   2129:1   Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 2129, nxpk= 1, iat= 710,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 ARG  HD2          87 TYR  HD2         4.00    (#   2130:1   Preassigned    4.13, 4.13 A)
 &rst
  ixpk= 2130, nxpk= 1, iat= 710,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HB-          87 TYR  HD1         3.00    (#   2131:1   Unique         2.29, 2.93 A)
# CHANGED TO HB2 and HD2
 &rst
  ixpk= 2131, nxpk= 1, iat=  1290,1303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   85 ILE  HB           87 TYR  HD2         4.00    (#   2132:1   Preassigned    4.14, 4.14 A)
 &rst
  ixpk= 2132, nxpk= 1, iat=1252,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 ARG  HG+          87 TYR  HD2         4.00    (#   2134:1   Preassigned    2.78, 3.23 A)
# CHANGED TO R46 HG2
 &rst
  ixpk= 2134, nxpk= 1, iat=  707,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HB+          87 TYR  HD1         4.00    (#   2135:1   Preassigned    3.30, 4.00 A)
# CHANGED TO HB3
 &rst
  ixpk= 2135, nxpk= 1, iat=  1369,1294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   48 VAL  QG1          87 TYR  HD2         4.00    (#   2140:1   Preassigned    3.03, 4.11 A)
 &rst
  ixpk= 2140, nxpk= 1, iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 740, 741, 742,
 &end
#
#   85 ILE  QG2          87 TYR  HD2         4.00    (#   2142:1   Preassigned    3.40, 4.45 A)
 &rst
  ixpk= 2142, nxpk= 1, iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   11 ASP  HB+          14 LYS  H           3.00    (#   2171:1   Preassigned    2.91, 3.72 A)
 &rst
  ixpk= 2171, nxpk= 1, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB+          14 LYS  H           3.00    (#   2172:1   Preassigned    2.91, 3.72 A)
 &rst
  ixpk= 2172, nxpk= 1, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   39 LYS  HB+          69 ASN  HD22        4.00    (#   2190:1   Preassigned    4.67, 4.99 A)
# CHANGED TO LYS39 HB2
 &rst
  ixpk= 2190, nxpk= 1, iat=  585,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   92 LYS  HA           17 TRP  HZ2         4.00    (#   2197:1   Preassigned    2.57, 2.57 A)
 &rst
  ixpk= 2197, nxpk= 1, iat=1366, 271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 HIS  HB+          17 TRP  HZ2         3.00    (#   2201:1   Preassigned    3.41, 3.45 A)
# CHANGED TO HB2
 &rst
  ixpk= 2201, nxpk= 1, iat=  1390, 271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   93 HIS  HB-          17 TRP  HZ2         3.00    (#   2202:1   Preassigned    3.41, 3.45 A)
# CHANGED TO HB3
 &rst
  ixpk= 2202, nxpk= 1, iat=  1391, 271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   88 VAL  HB           17 TRP  HZ2         5.00    (#   2208:1   Unique         3.97, 3.97 A)
 &rst
  ixpk= 2208, nxpk= 1, iat=1311, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ILE  QG2          17 TRP  HZ2         4.00    (#   2211:1   Preassigned    3.60, 4.64 A)
 &rst
  ixpk= 2211, nxpk= 1, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1273,1274,1275,
 &end
#
#   17 TRP  HH2          17 TRP  HZ2         4.00    (#   2216:1   Preassigned    2.68, 2.68 A)
 &rst
  ixpk= 2216, nxpk= 1, iat= 273, 271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HG1+         15 PHE  HE1         4.00    (#   2233:1   Preassigned    2.62, 3.48 A)
# CHANGE TO HG13
 &rst
  ixpk= 2233, nxpk= 1, iat=  662, 234, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   95 TRP  HD1          84 ASN  HD21        4.00    (#   2239:1   Preassigned    3.41, 3.41 A)
 &rst
  ixpk= 2239, nxpk= 1, iat=1428,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 PHE  HA           15 PHE  HE1         5.00    (#   2241:1   Preassigned    4.94, 4.94 A)
 &rst
  ixpk= 2241, nxpk= 1, iat= 226, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HA           15 PHE  HE1         5.00    (#   2242:1   Preassigned    4.51, 4.51 A)
 &rst
  ixpk= 2242, nxpk= 1, iat= 531, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 PRO  HA           84 ASN  HD21        5.00    (#   2254:1   Preassigned    3.63, 3.63 A)
 &rst
  ixpk= 2254, nxpk= 1, iat=1211,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 ILE  HA            0 AMB  1-2:2259    4.00    (#   2259:1   Single Ambig)
 &rst
  ixpk= 2259, nxpk= 1, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 234, 238,
 &end
#
#    0 AMB  1-1:2264     15 PHE  HE2         3.00    (#   2264:1   Single Ambig)
 &rst
  ixpk= 2264, nxpk= 1, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 672, 671,
 &end
#
#   15 PHE  HB2          15 PHE  HE2         4.00    (#   2269:1   Preassigned    4.45, 4.45 A)
# BIN add 0.5
 &rst
  ixpk= 2269, nxpk= 1, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 PHE  HB+          15 PHE  HE1         3.00    (#   2275:1   Preassigned    2.67, 3.40 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 2275, nxpk= 1, iat=  533, 234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   15 PHE  HB3          15 PHE  HE1         5.00    (#   2278:1   Preassigned    4.56, 4.56 A)
 &rst
  ixpk= 2278, nxpk= 1, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 PHE  HB3          15 PHE  HE1         4.00    (#   2279:1   Preassigned    4.56, 4.56 A)
# BIN S.D.
 &rst
  ixpk= 2279, nxpk= 1, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 PHE  HB-          15 PHE  HE1         5.00    (#   2280:1   Preassigned    2.67, 3.40 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 2280, nxpk= 1, iat=  533, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 &end
#
#   33 VAL  HB           15 PHE  HE1         5.00    (#   2281:1   Preassigned    3.73, 3.73 A)
 &rst
  ixpk= 2281, nxpk= 1, iat= 507, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 ASN  HB-          84 ASN  HD21        4.00    (#   2282:1   Preassigned    3.70, 3.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 2282, nxpk= 1, iat=  1239,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   67 MET  HB2          15 PHE  HE1         3.00    (#   2284:1   Unique         3.31, 3.31 A)
 &rst
  ixpk= 2284, nxpk= 1, iat=1003, 234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PRO  HG+          15 PHE  HE2         3.00    (#   2285:1   Preassigned    2.38, 2.80 A)
# CHANGED TO HG3
 &rst
  ixpk= 2285, nxpk= 1, iat=  675, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   97 GLN  HB+          84 ASN  HD21        5.00    (#   2287:1   Preassigned    2.05, 2.08 A)
# CHANGED TO HB2
 &rst
  ixpk= 2287, nxpk= 1, iat=  1468,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   44 PRO  HG-          15 PHE  HE2         4.00    (#   2289:1   Preassigned    2.38, 2.80 A)
# CHANGE TO HG2
 &rst
  ixpk= 2289, nxpk= 1, iat=  674, 238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   97 GLN  HB-          84 ASN  HD21        4.00    (#   2293:1   Preassigned    2.05, 2.08 A)
# CHANGED TO HB3
 &rst
  ixpk= 2293, nxpk= 1, iat=  1469,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   43 ILE  HG1+         15 PHE  HE1         4.00    (#   2294:1   Preassigned    2.62, 3.48 A)
# CHANGE TO ILE 43 HG13	
 &rst
  ixpk= 2294, nxpk= 1, iat=  662, 234, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   79 LEU  HB+          84 ASN  HD21        4.00    (#   2295:1   Preassigned    3.00, 3.58 A)
# CHANGED TO HB2
 &rst
  ixpk= 2295, nxpk= 1, iat=  1172,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB-          84 ASN  HD21        4.00    (#   2296:1   Preassigned    3.00, 3.58 A)
# CHANGED TO HB3
 &rst
  ixpk= 2296, nxpk= 1, iat=  1173,1243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   33 VAL  QG2          15 PHE  HE1         3.00    (#   2298:1   Preassigned    2.82, 3.41 A)
 &rst
  ixpk= 2298, nxpk= 1, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 513, 514, 515,
 &end
#
#   15 PHE  HZ            0 AMB  1-2:2303    3.00    (#   2303:1   Single Ambig)
 &rst
  ixpk= 2303, nxpk= 1, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 238, 234,
 &end
#
#   12 LYS  HA           15 PHE  HE2         3.00    (#   2304:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 2304, nxpk= 1, iat= 172, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 CYS  HB+          15 PHE  HE2         3.00    (#   2305:1   Preassigned    2.30, 2.47 A)
# CHANGED TO HB3
 &rst
  ixpk= 2305, nxpk= 1, iat=  153, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   10 CYS  HB-          15 PHE  HE2         3.00    (#   2306:1   Preassigned    2.30, 2.47 A)
# CHANGED TO HB2
 &rst
  ixpk= 2306, nxpk= 1, iat=  152, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   33 VAL  QG2          15 PHE  HE1         3.00    (#   2308:1   Preassigned    2.82, 3.41 A)
 &rst
  ixpk= 2308, nxpk= 1, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 513, 514, 515,
 &end
#
#   43 ILE  HG1-         15 PHE  HE1         3.00    (#   2309:1   Preassigned    2.62, 3.48 A)
# CHANGE TO ILE 43 HG12
 &rst
  ixpk= 2309, nxpk= 1, iat=  661, 234, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   43 ILE  QD1          15 PHE  HE1         3.00    (#   2310:1   Preassigned    2.90, 3.77 A)
# BIN Me 3.6 to 4.0
 &rst
  ixpk= 2310, nxpk= 1, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 igr1= 664, 665, 666,
 &end
#
#   43 ILE  QG2          15 PHE  HE1         3.00    (#   2311:1   Preassigned    3.05, 4.09 A)
 &rst
  ixpk= 2311, nxpk= 1, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   78 GLN  HG3          78 GLN  HE22        4.00    (#   2320:1   Preassigned    2.37, 2.37 A)
 &rst
  ixpk= 2320, nxpk= 1, iat=1159,1164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HG2          78 GLN  HE22        5.00    (#   2321:1   Preassigned    3.11, 3.69 A)
 &rst
  ixpk= 2321, nxpk= 1, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 431, 432, 433,
 &end
#
#   17 TRP  HH2          17 TRP  HZ3         3.00    (#   2341:1   Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 2341, nxpk= 1, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 MET  HB+          17 TRP  HZ3         4.00    (#   2347:1   Preassigned    2.04, 2.59 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 2347, nxpk= 1, iat=  475, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   31 MET  HG-          17 TRP  HZ3         4.00    (#   2348:1   Preassigned    2.55, 3.12 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 2348, nxpk= 1, iat=  479, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HD-          17 TRP  HZ3         4.00    (#   2350:1   Preassigned    3.45, 4.38 A)
# CHANGED TO HD3
 &rst
  ixpk= 2350, nxpk= 1, iat=  340, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  QG2          17 TRP  HZ3         3.00    (#   2351:1   Unique         3.89, 4.57 A)
# BIN 5 uncertain aromatic ring assignments
 &rst
  ixpk= 2351, nxpk= 1, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1=1273,1274,1275,
 &end
#
#   33 VAL  QG1          17 TRP  HZ3         4.00    (#   2352:1   Preassigned    2.76, 3.58 A)
 &rst
  ixpk= 2352, nxpk= 1, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   88 VAL  QG2          17 TRP  HZ3         3.00    (#   2353:1   Preassigned    3.09, 3.77 A)
 &rst
  ixpk= 2353, nxpk= 1, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1317,1318,1319,
 &end
#
#    5 LEU  HA           64 ASN  HD22        4.00    (#   2357:1   Preassigned    3.90, 3.90 A)
 &rst
  ixpk= 2357, nxpk= 1, iat=  65, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS  HB-           0 AMB  1-2:2360    3.00    (#   2360:1   Single Ambig)
# CHANGED TO HB2 and HE1
 &rst
  ixpk= 2360, nxpk= 1, iat=  1368,  1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 &end
#
#   92 LYS  HD3           0 AMB  1-2:2378    4.00    (#   2378:1   Single Ambig)
 &rst
  ixpk= 2378, nxpk= 1, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1296,1301,1296,1301,
 &end
#
#   31 MET  HB-          17 TRP  HZ3         4.00    (#   2379:1   Preassigned    2.04, 2.59 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 2379, nxpk= 1, iat=  476, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   31 MET  HB-          17 TRP  HZ3         4.00    (#   2380:1   Preassigned    2.04, 2.59 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 2380, nxpk= 1, iat=  476, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    0 AMB  1-1:2381      0 AMB  1-2:2381    4.00    (#   2381:1   Double Ambig)
 &rst
  ixpk= 2381, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1368,1369,1368,1369,
 igr2=1296,1301,1296,1301,
 &end
#
#   66 THR  HG2          64 ASN  HD22        3.00    (#   2384:1   Preassigned    2.61, 3.45 A)
 &rst
  ixpk= 2384, nxpk= 1, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 991, 992, 993,
 &end
#
#   48 VAL  QG2           0 AMB  1-2:2385    3.00    (#   2385:1   Single Ambig)
 &rst
  ixpk= 2385, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 744, 745, 746,
 igr2=1296,1301,1296,1301,
 &end
#
#   85 ILE  QG2           0 AMB  1-2:2386    3.00    (#   2386:1   Single Ambig)
 &rst
  ixpk= 2386, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1254,1255,1256,
 igr2=1296,1301,1296,1301,
 &end
#
#   84 ASN  HD22         95 TRP  HD1         4.00    (#   2427:1   Preassigned    2.24, 2.24 A)
 &rst
  ixpk= 2427, nxpk= 1, iat=1244,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           95 TRP  HD1         4.00    (#   2428:1   Preassigned    3.64, 3.64 A)
 &rst
  ixpk= 2428, nxpk= 1, iat=1466,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 TRP  HB+          95 TRP  HD1         4.00    (#   2430:1   Preassigned    2.54, 3.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 2430, nxpk= 1, iat=  1424,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   84 ASN  HB+          95 TRP  HD1         4.00    (#   2431:1   Preassigned    4.25, 4.92 A)
# CHANGED TO HB2
 &rst
  ixpk= 2431, nxpk= 1, iat=  1238,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   95 TRP  HB-          95 TRP  HD1         3.00    (#   2432:1   Preassigned    2.54, 3.17 A)
# CHANGED TO HB3
 &rst
  ixpk= 2432, nxpk= 1, iat=  1425,1428, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   84 ASN  HB-          95 TRP  HD1         4.00    (#   2433:1   Preassigned    4.25, 4.92 A)
# CHANGED TO HB3
# BIN 4.3
 &rst
  ixpk= 2433, nxpk= 1, iat=  1239,1428, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,
 &end
#
#   79 LEU  HB+          95 TRP  HD1         4.00    (#   2440:1   Preassigned    3.60, 3.67 A)
# CHANGED TO HB2
 &rst
  ixpk= 2440, nxpk= 1, iat=  1172,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          95 TRP  HD1         4.00    (#   2441:1   Preassigned    3.60, 3.67 A)
# CHANGED TO HB2
 &rst
  ixpk= 2441, nxpk= 1, iat=  1172,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB-          95 TRP  HD1         4.00    (#   2442:1   Preassigned    3.60, 3.67 A)
# CHANGED TO HB3
 &rst
  ixpk= 2442, nxpk= 1, iat=  1173,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HG           95 TRP  HD1         5.00    (#   2444:1   Preassigned    4.99, 4.99 A)
 &rst
  ixpk= 2444, nxpk= 1, iat=1175,1428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 LEU  QD1          95 TRP  HD1         4.00    (#   2445:1   Preassigned    2.20, 3.08 A)
 &rst
  ixpk= 2445, nxpk= 1, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1177,1178,1179,
 &end
#
#   29 VAL  QG2          95 TRP  HD1         4.00    (#   2447:1   Preassigned    3.28, 4.32 A)
 &rst
  ixpk= 2447, nxpk= 1, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#   31 MET  HG+          17 TRP  HH2         4.00    (#   2468:1   Preassigned    4.04, 4.52 A)
# CHANGED TO MET HG2
# BIN 4.3
 &rst
  ixpk= 2468, nxpk= 1, iat=  478, 273, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,
 &end
#
#   31 MET  HB+          17 TRP  HH2         3.00    (#   2469:1   Preassigned    3.92, 4.24 A)
# CHANGED TO MET 31 HB2
# BIN 5 uncertain ring assignments
 &rst
  ixpk= 2469, nxpk= 1, iat=  475, 273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   31 MET  HG-          17 TRP  HH2         3.00    (#   2470:1   Preassigned    4.04, 4.52 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 2470, nxpk= 1, iat=  479, 273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   31 MET  HB-          17 TRP  HH2         4.00    (#   2471:1   Preassigned    3.92, 4.24 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 2471, nxpk= 1, iat=  476, 273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG+          17 TRP  HH2         4.00    (#   2473:1   Preassigned    3.99, 4.45 A)
# CHANGED TO HG3
 &rst
  ixpk= 2473, nxpk= 1, iat=  343, 273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   21 PRO  HD-          17 TRP  HH2         4.00    (#   2474:1   Preassigned    3.95, 4.76 A)
# CHANGED TO HD2
 &rst
  ixpk= 2474, nxpk= 1, iat=  340, 273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   21 PRO  HG-          17 TRP  HH2         4.00    (#   2475:1   Preassigned    3.99, 4.45 A)
# CHANGED TO HG2
 &rst
  ixpk= 2475, nxpk= 1, iat=  342, 273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   21 PRO  HG-          17 TRP  HH2         4.00    (#   2476:1   Preassigned    3.99, 4.45 A)
# CHANGED TO HG2
 &rst
  ixpk= 2476, nxpk= 1, iat=  342, 273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   86 ILE  QG2          17 TRP  HH2         4.00    (#   2477:1   Preassigned    2.27, 3.21 A)
 &rst
  ixpk= 2477, nxpk= 1, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1273,1274,1275,
 &end
#
#   33 VAL  QG1          17 TRP  HH2         3.00    (#   2478:1   Preassigned    4.05, 4.47 A)
# BIN Methyl uncertain TRP ring protons
 &rst
  ixpk= 2478, nxpk= 1, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.00,
 igr1= 509, 510, 511,
 &end
#
#   88 VAL  QG2          17 TRP  HH2         3.00    (#   2479:1   Preassigned    2.40, 3.43 A)
 &rst
  ixpk= 2479, nxpk= 1, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1317,1318,1319,
 &end
#
#   10 CYS  HA           15 PHE  HZ          4.00    (#   2586:1   Preassigned    4.57, 4.57 A)
# BIN add 0.5
 &rst
  ixpk= 2586, nxpk= 1, iat= 150, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ILE  HA           15 PHE  HZ          3.00    (#   2589:1   Preassigned    2.27, 2.27 A)
 &rst
  ixpk= 2589, nxpk= 1, iat= 653, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PRO  HD3          15 PHE  HZ          3.00    (#   2590:1   Unique         2.10, 2.10 A)
 &rst
  ixpk= 2590, nxpk= 1, iat= 672, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 CYS  HB+          15 PHE  HZ          3.00    (#   2592:1   Preassigned    2.09, 2.39 A)
# CHANGED TO HB3
 &rst
  ixpk= 2592, nxpk= 1, iat=  153, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   10 CYS  HB-          15 PHE  HZ          3.00    (#   2595:1   Preassigned    2.09, 2.39 A)
# CHANGED TO HB2
 &rst
  ixpk= 2595, nxpk= 1, iat=  152, 236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 &end
#
#   43 ILE  HG1-         15 PHE  HZ          4.00    (#   2600:1   Preassigned    2.70, 3.47 A)
# CHANGE TO I43 HG12
 &rst
  ixpk= 2600, nxpk= 1, iat=  661, 236, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   43 ILE  QD1          15 PHE  HZ          4.00    (#   2601:1   Preassigned    4.08, 4.83 A)
# BIN Me 4.8 to 5.0
 &rst
  ixpk= 2601, nxpk= 1, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1= 664, 665, 666,
 &end
#
#   43 ILE  QG2          15 PHE  HZ          3.00    (#   2602:1   Preassigned    3.03, 3.94 A)
 &rst
  ixpk= 2602, nxpk= 1, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   49 ALA  HA           84 ASN  HA          3.00    (#   2784:1   Preassigned    2.41, 2.41 A)
 &rst
  ixpk= 2784, nxpk= 1, iat= 752,1236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HG1-         84 ASN  HD22        5.00    (#   2795:1   Unique         3.94, 4.30 A)
# CHANGED TO HG12
 &rst
  ixpk= 2795, nxpk= 1, iat=  1277,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.55,
 &end
#
#   84 ASN  HB+          84 ASN  HA          3.00    (#   2807:1   Unique         2.23, 2.63 A)
# CHANGED TO HB2
 &rst
  ixpk= 2807, nxpk= 1, iat=  1238,1236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   84 ASN  HB-          84 ASN  HA          3.00    (#   2809:1   Unique         2.23, 2.63 A)
# CHANGED TO HB3
 &rst
  ixpk= 2809, nxpk= 1, iat=  1239,1236, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   97 GLN  HB-          84 ASN  HD22        4.00    (#   2811:1   Preassigned    2.41, 2.82 A)
# CHANGED TO HB3
 &rst
  ixpk= 2811, nxpk= 1, iat=  1469,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HB+          84 ASN  HD22        3.00    (#   2812:1   Preassigned    3.47, 3.90 A)
# CHANGED TO HB2
# BIN TO 4
 &rst
  ixpk= 2812, nxpk= 1, iat=  1172,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   79 LEU  HB-          84 ASN  HD22        5.00    (#   2813:1   Preassigned    3.47, 3.90 A)
# CHANGED TO HB3
 &rst
  ixpk= 2813, nxpk= 1, iat=  1173,1244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   79 LEU  QD1          84 ASN  HD22        5.00    (#   2814:1   Unique         3.14, 4.24 A)
 &rst
  ixpk= 2814, nxpk= 1, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1177,1178,1179,
 &end
#
#   79 LEU  QD2          84 ASN  HD22        4.00    (#   2815:1   Unique         3.80, 4.83 A)
 &rst
  ixpk= 2815, nxpk= 1, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1181,1182,1183,
 &end
#
#   74 PHE  HA           32 GLU  HA          3.00    (#   2830:1   Preassigned    2.21, 2.21 A)
 &rst
  ixpk= 2830, nxpk= 1, iat=1082, 490, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 GLU  QB           32 GLU  HA          3.00    (#   2831:1   Preassigned    2.23, 2.63 A)
 &rst
  ixpk= 2831, nxpk= 1, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 492, 493,
 &end
#
#   32 GLU  HG+          32 GLU  HA          3.00    (#   2832:1   Preassigned    2.42, 2.64 A)
# CHANGED TO GLU32 HG2
 &rst
  ixpk= 2832, nxpk= 1, iat=  495, 490, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   32 GLU  HG-          32 GLU  HA          3.00    (#   2833:1   Preassigned    2.42, 2.64 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 2833, nxpk= 1, iat=  496, 490, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   33 VAL  QG2          32 GLU  HA          4.00    (#   2834:1   Unique         3.90, 4.82 A)
 &rst
  ixpk= 2834, nxpk= 1, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 513, 514, 515,
 &end
#
#   31 MET  HA           32 GLU  HA          4.00    (#   2840:1   Preassigned    4.38, 4.38 A)
# BIN S.D. add 0.5
 &rst
  ixpk= 2840, nxpk= 1, iat= 473, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 PHE  QB           32 GLU  HA          4.00    (#   2842:1   Preassigned    4.31, 4.77 A)
 &rst
  ixpk= 2842, nxpk= 1, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1084,1085,
 &end
#
#   48 VAL  HA           47 ALA  HA          4.00    (#   2856:1   Preassigned    4.27, 4.27 A)
# BIN Seq. Ha-HA add .5
 &rst
  ixpk= 2856, nxpk= 1, iat= 736, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 ILE  HA           47 ALA  HA          3.00    (#   2866:1   Preassigned    2.07, 2.07 A)
 &rst
  ixpk= 2866, nxpk= 1, iat=1269, 726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  QB           47 ALA  HA          3.00    (#   2867:1   Preassigned    2.39, 2.64 A)
 &rst
  ixpk= 2867, nxpk= 1, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 728, 729, 730,
 &end
#
#   48 VAL  QG1          47 ALA  HA          4.00    (#   2868:1   Preassigned    3.72, 4.53 A)
 &rst
  ixpk= 2868, nxpk= 1, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          47 ALA  HA          4.00    (#   2869:1   Preassigned    3.82, 4.77 A)
 &rst
  ixpk= 2869, nxpk= 1, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 744, 745, 746,
 &end
#
#   86 ILE  QG2( HG12)   87 TYR  HA          3.00    (#   2876:1   Preassigned    3.75, 4.48 A)
# CHANGE TO ILE 86 HG12
#&rst
# ixpk= 2876, nxpk= 1, iat=  1277,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
#&end
#
#   88 VAL  HA           87 TYR  HA          4.00    (#   2879:1   Preassigned    4.24, 4.24 A)
 &rst
  ixpk= 2879, nxpk= 1, iat=1309,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 TYR  HB+          87 TYR  HA          3.00    (#   2882:1   Preassigned    2.59, 2.81 A)
# CHANGED TO HB3
 &rst
  ixpk= 2882, nxpk= 1, iat=  1291,1288, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   87 TYR  HB+          87 TYR  HA          3.00    (#   2883:1   Preassigned    2.59, 2.81 A)
# CHANGED TO HB3
 &rst
  ixpk= 2883, nxpk= 1, iat=  1291,1288, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   35 PHE  HB+          15 PHE  HA          4.00    (#   2885:1   Preassigned    4.12, 4.73 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 2885, nxpk= 1, iat=  533, 226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   87 TYR  HB-          87 TYR  HA          3.00    (#   2886:1   Preassigned    2.59, 2.81 A)
# CHANGED TO HB2
 &rst
  ixpk= 2886, nxpk= 1, iat=  1290,1288, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   35 PHE  HB-          15 PHE  HA          5.00    (#   2887:1   Preassigned    4.12, 4.73 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 2887, nxpk= 1, iat=  534, 226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   35 PHE  HB-          15 PHE  HA          5.00    (#   2888:1   Preassigned    4.12, 4.73 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 2888, nxpk= 1, iat=  534, 226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   85 ILE  QG2          92 LYS  HA          4.00    (#   2891:1   Preassigned    3.98, 4.56 A)
 &rst
  ixpk= 2891, nxpk= 1, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1254,1255,1256,
 &end
#
#   35 PHE  HA           15 PHE  HA          3.00    (#   2906:1   Preassigned    2.60, 2.60 A)
 &rst
  ixpk= 2906, nxpk= 1, iat= 531, 226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 THR  HA           15 PHE  HA          4.00    (#   2909:1   Preassigned    4.37, 4.37 A)
# BIN add .3
 &rst
  ixpk= 2909, nxpk= 1, iat= 246, 226, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   15 PHE  HB2          15 PHE  HA          3.00    (#   2910:1   Preassigned    2.88, 2.88 A)
 &rst
  ixpk= 2910, nxpk= 1, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 PHE  HB3          15 PHE  HA          3.00    (#   2911:1   Preassigned    2.45, 2.45 A)
 &rst
  ixpk= 2911, nxpk= 1, iat= 229, 226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 LYS  HB+          92 LYS  HA          3.00    (#   2912:1   Preassigned    2.34, 2.40 A)
# CHANGED TO HB3
 &rst
  ixpk= 2912, nxpk= 1, iat=  1369,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   92 LYS  HB-          92 LYS  HA          3.00    (#   2913:1   Preassigned    2.34, 2.40 A)
# CHANGED TO HB2
 &rst
  ixpk= 2913, nxpk= 1, iat=  1368,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   14 LYS  HA           15 PHE  HA          4.00    (#   2922:1   Preassigned    4.22, 4.22 A)
# BIN Seq ha-ha add .5
 &rst
  ixpk= 2922, nxpk= 1, iat= 204, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,  &end
#
#   91 LEU  HG           92 LYS  HA          4.00    (#   2924:1   Preassigned    3.81, 3.81 A)
 &rst
  ixpk= 2924, nxpk= 1, iat=1352,1366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 MET  HG-          77 MET  HA          4.00    (#   3013:1   Preassigned    3.55, 3.64 A)
# CHANGED TO HG3
 &rst
  ixpk= 3013, nxpk= 1, iat=  1142,1136, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1141,1142,
 &end
#
#   61 ILE  HB           77 MET  HA          4.00    (#   3014:1   Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 3014, nxpk= 1, iat= 914,1136, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 ILE  QD1          77 MET  HA          3.00    (#   3015:1   Preassigned    3.50, 4.19 A)
 &rst
  ixpk= 3015, nxpk= 1, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 923, 924, 925,
 &end
#
#   60 LEU  HA           77 MET  HA          3.00    (#   3019:1   Preassigned    2.11, 2.11 A)
 &rst
  ixpk= 3019, nxpk= 1, iat= 893,1136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 MET  HG+          77 MET  HA          4.00    (#   3029:1   Preassigned    3.55, 3.64 A)
# CHANGED TO HG2
 &rst
  ixpk= 3029, nxpk= 1, iat=  1141,1136, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   77 MET  HB+          77 MET  HA          3.00    (#   3030:1   Preassigned    2.23, 2.39 A)
# CHANGED TO HB3
 &rst
  ixpk= 3030, nxpk= 1, iat=  1138,1136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   77 MET  HB-          77 MET  HA          3.00    (#   3031:1   Preassigned    2.23, 2.39 A)
# CHANGED TO HB2
 &rst
  ixpk= 3031, nxpk= 1, iat=  1138,1136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   61 ILE  HG12         77 MET  HA          3.00    (#   3032:1   Preassigned    2.08, 2.08 A)
 &rst
  ixpk= 3032, nxpk= 1, iat= 920,1136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HB+          56 ASP  HA          3.00    (#   3051:1   Preassigned    2.28, 2.63 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 3051, nxpk= 1, iat=  840, 838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   56 ASP  HB+          56 ASP  HA          3.00    (#   3052:1   Preassigned    2.28, 2.63 A)
# CHANGED TO D56 HB2
 &rst
  ixpk= 3052, nxpk= 1, iat=  840, 838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   56 ASP  HB-          56 ASP  HA          3.00    (#   3053:1   Preassigned    2.28, 2.63 A)
# CHANGED TO D56 HB3
 &rst
  ixpk= 3053, nxpk= 1, iat=  841, 838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   48 VAL  QG1          56 ASP  HA          4.00    (#   3057:1   Preassigned    2.38, 3.42 A)
 &rst
  ixpk= 3057, nxpk= 1, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 740, 741, 742,
 &end
#
#   75 ILE  QG2          76 GLU  HA          3.00    (#   3059:1   Preassigned    2.94, 3.78 A)
 &rst
  ixpk= 3059, nxpk= 1, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1106,1107,1108,
 &end
#
#   30 VAL  HA           76 GLU  HA          3.00    (#   3063:1   Preassigned    2.17, 2.17 A)
 &rst
  ixpk= 3063, nxpk= 1, iat= 457,1121, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ILE  HA           76 GLU  HA          4.00    (#   3067:1   Preassigned    4.42, 4.42 A)
# BIN 4.5
 &rst
  ixpk= 3067, nxpk= 1, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,  &end
#
#    0 AMB  1-1:3068      0 AMB  1-2:3068    4.00    (#   3068:1   Double Ambig)
 &rst
  ixpk= 3068, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 822, 429,
 igr2= 838,1121,
 &end
#
#   76 GLU  QG           76 GLU  HA          3.00    (#   3074:1   Preassigned    2.19, 2.54 A)
 &rst
  ixpk= 3074, nxpk= 1, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1126,1127,
 &end
#
#   77 MET  HG+          76 GLU  HA          4.00    (#   3075:1   Preassigned    3.89, 4.01 A)
# CHANGED TO HG2
 &rst
  ixpk= 3075, nxpk= 1, iat=  1141,1121, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   30 VAL  HB           76 GLU  HA          4.00    (#   3076:1   Preassigned    4.26, 4.26 A)
 &rst
  ixpk= 3076, nxpk= 1, iat= 459,1121, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 GLU  QB           76 GLU  HA          3.00    (#   3077:1   Preassigned    2.34, 2.61 A)
 &rst
  ixpk= 3077, nxpk= 1, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   46 ARG  HB-          56 ASP  HA          4.00    (#   3080:1   Preassigned    3.76, 4.67 A)
# CHANGE TO ARG HB2
 &rst
  ixpk= 3080, nxpk= 1, iat=  704, 838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   30 VAL  QG1          76 GLU  HA          3.00    (#   3085:1   Preassigned    2.44, 3.33 A)
 &rst
  ixpk= 3085, nxpk= 1, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 461, 462, 463,
 &end
#
#   87 TYR  HB-          45 VAL  HA          4.00    (#   3109:1   Unique         4.08, 4.17 A)
# CHANGED TO HB2
 &rst
  ixpk= 3109, nxpk= 1, iat=  1290, 686, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   88 VAL  HA           45 VAL  HA          3.00    (#   3119:1   Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 3119, nxpk= 1, iat=1309, 686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 VAL  HB           45 VAL  HA          3.00    (#   3121:1   Preassigned    3.03, 3.03 A)
 &rst
  ixpk= 3121, nxpk= 1, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 LYS  QB           33 VAL  HA          4.00    (#   3122:1   Preassigned    2.54, 3.21 A)
 &rst
  ixpk= 3122, nxpk= 1, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 286, 287,
 &end
#
#   45 VAL  QG1          45 VAL  HA          3.00    (#   3123:1   Preassigned    2.54, 2.94 A)
 &rst
  ixpk= 3123, nxpk= 1, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 690, 691, 692,
 &end
#
#   45 VAL  QG2          45 VAL  HA          3.00    (#   3124:1   Preassigned    2.72, 3.26 A)
 &rst
  ixpk= 3124, nxpk= 1, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 694, 695, 696,
 &end
#
#   88 VAL  QG2          45 VAL  HA          4.00    (#   3125:1   Preassigned    3.29, 4.20 A)
 &rst
  ixpk= 3125, nxpk= 1, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1317,1318,1319,
 &end
#
#   43 ILE  QG2          45 VAL  HA          4.00    (#   3126:1   Preassigned    3.83, 4.82 A)
 &rst
  ixpk= 3126, nxpk= 1, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 657, 658, 659,
 &end
#
#   34 ALA  QB           33 VAL  HA          4.00    (#   3133:1   Preassigned    4.52, 4.89 A)
 &rst
  ixpk= 3133, nxpk= 1, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 523, 524, 525,
 &end
#
#   33 VAL  QG1          33 VAL  HA          3.00    (#   3134:1   Preassigned    2.24, 2.94 A)
 &rst
  ixpk= 3134, nxpk= 1, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 509, 510, 511,
 &end
#
#   48 VAL  HB           48 VAL  HA          3.00    (#   3142:1   Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 3142, nxpk= 1, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 ALA  QB           48 VAL  HA          3.00    (#   3143:1   Unique         3.21, 3.98 A)
# BIN SD Meth
 &rst
  ixpk= 3143, nxpk= 1, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 igr1= 754, 755, 756,
 &end
#
#   48 VAL  QG1          48 VAL  HA          3.00    (#   3144:1   Preassigned    2.55, 3.24 A)
 &rst
  ixpk= 3144, nxpk= 1, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          48 VAL  HA          3.00    (#   3145:1   Preassigned    3.65, 3.88 A)
# BIN SD 
 &rst
  ixpk= 3145, nxpk= 1, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 igr1= 744, 745, 746,
 &end
#
#   57 VAL  QG2          48 VAL  HA          3.00    (#   3152:1   Preassigned    3.05, 4.04 A)
 &rst
  ixpk= 3152, nxpk= 1, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 858, 859, 860,
 &end
#
#   29 VAL  HA           30 VAL  HA          5.00    (#   3158:1   Preassigned    4.23, 4.23 A)
 &rst
  ixpk= 3158, nxpk= 1, iat= 441, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 MET  HA           30 VAL  HA          4.00    (#   3159:1   Preassigned    4.36, 4.36 A)
# BIN seq ha-ha add .3
 &rst
  ixpk= 3159, nxpk= 1, iat= 473, 457, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   30 VAL  HB           30 VAL  HA          3.00    (#   3160:1   Preassigned    2.46, 2.46 A)
 &rst
  ixpk= 3160, nxpk= 1, iat= 459, 457, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 GLU  QB           30 VAL  HA          4.00    (#   3161:1   Preassigned    3.63, 4.24 A)
 &rst
  ixpk= 3161, nxpk= 1, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   76 GLU  QB           30 VAL  HA          4.00    (#   3162:1   Preassigned    3.63, 4.24 A)
 &rst
  ixpk= 3162, nxpk= 1, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1123,1124,
 &end
#
#   18 LYS  HG+          33 VAL  HA          4.00    (#   3163:1   Unique         4.48, 4.95 A)
# CHANGED TO HG3
# BIN 4.5
 &rst
  ixpk= 3163, nxpk= 1, iat=  290, 505, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,
 &end
#
#   30 VAL  QG1          30 VAL  HA          3.00    (#   3164:1   Preassigned    2.31, 2.99 A)
 &rst
  ixpk= 3164, nxpk= 1, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 461, 462, 463,
 &end
#
#   35 PHE  HB+          35 PHE  HA          3.00    (#   3173:1   Preassigned    2.38, 2.68 A)
# CHANGED TO F35 HB2
 &rst
  ixpk= 3173, nxpk= 1, iat=  533, 531, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   35 PHE  HB-          35 PHE  HA          3.00    (#   3174:1   Preassigned    2.38, 2.68 A)
# CHANGED TO F35 HB3
 &rst
  ixpk= 3174, nxpk= 1, iat=  534, 531, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   76 GLU  QG           30 VAL  HA          4.00    (#   3175:1   Preassigned    3.34, 4.00 A)
 &rst
  ixpk= 3175, nxpk= 1, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1126,1127,
 &end
#
#   36 SER  HA           35 PHE  HA          5.00    (#   3178:1   Preassigned    4.60, 4.60 A)
 &rst
  ixpk= 3178, nxpk= 1, iat= 551, 531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 PHE  QB           74 PHE  HA          3.00    (#   3211:1   Preassigned    2.55, 2.84 A)
 &rst
  ixpk= 3211, nxpk= 1, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1084,1085,
 &end
#
#   32 GLU  QB           74 PHE  HA          4.00    (#   3214:1   Preassigned    2.57, 3.39 A)
 &rst
  ixpk= 3214, nxpk= 1, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 492, 493,
 &end
#
#   32 GLU  HG-          74 PHE  HA          4.00    (#   3215:1   Preassigned    2.42, 3.11 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 3215, nxpk= 1, iat=  496,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HG1+         74 PHE  HA          4.00    (#   3216:1   Preassigned    3.69, 4.32 A)
# CHANGE TO HG13
 &rst
  ixpk= 3216, nxpk= 1, iat=  1111,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   32 GLU  HG-          74 PHE  HA          4.00    (#   3225:1   Preassigned    2.42, 3.11 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 3225, nxpk= 1, iat=  496,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   75 ILE  HB           74 PHE  HA          4.00    (#   3226:1   Preassigned    3.80, 3.80 A)
 &rst
  ixpk= 3226, nxpk= 1, iat=1104,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 GLY  HA-          67 MET  HA          4.00    (#   3233:1   Preassigned    2.19, 2.97 A)
# CHANGED TO HA2
 &rst
  ixpk= 3233, nxpk= 1, iat=  1068,1001, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   51 GLY  HA-          52 ALA  HA          4.00    (#   3243:1   Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 3243, nxpk= 1, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 779, 780,
 &end
#
#   66 THR  HB           67 MET  HA          4.00    (#   3251:1   Preassigned    4.08, 4.08 A)
 &rst
  ixpk= 3251, nxpk= 1, iat= 989,1001, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 MET  QG           67 MET  HA          3.00    (#   3255:1   Preassigned    2.07, 2.67 A)
 &rst
  ixpk= 3255, nxpk= 1, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1006,1007,
 &end
#
#   67 MET  HB3          67 MET  HA          3.00    (#   3258:1   Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 3258, nxpk= 1, iat=1004,1001, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 ILE  QD1          67 MET  HA          5.00    (#   3259:1   Preassigned    2.99, 4.03 A)
 &rst
  ixpk= 3259, nxpk= 1, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 664, 665, 666,
 &end
#
#   53 PRO  HD-          52 ALA  HA          3.00    (#   3267:1   Unique         2.21, 2.28 A)
 &rst
  ixpk= 3267, nxpk= 1, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 795, 796,
 &end
#
#   52 ALA  QB           52 ALA  HA          3.00    (#   3270:1   Preassigned    2.55, 2.80 A)
 &rst
  ixpk= 3270, nxpk= 1, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 788, 789, 790,
 &end
#
#   41 CYS  HB+          41 CYS  HA          3.00    (#   3288:1   Preassigned    2.43, 2.45 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 3288, nxpk= 1, iat=  621, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   41 CYS  HB+          41 CYS  HA          3.00    (#   3289:1   Preassigned    2.43, 2.45 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 3289, nxpk= 1, iat=  621, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   26 HIS  HB-          26 HIS  HA          3.00    (#   3290:1   Preassigned    2.64, 2.89 A)
 &rst
  ixpk= 3290, nxpk= 1, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 400, 401,
 &end
#
#   26 HIS  HB-          26 HIS  HA          3.00    (#   3291:1   Preassigned    2.64, 2.89 A)
 &rst
  ixpk= 3291, nxpk= 1, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 400, 401,
 &end
#
#   50 HIS  HA           49 ALA  HA          3.00    (#   3298:1   Preassigned    3.42, 3.42 A)
# BIN SD seq ha-ha add .5
 &rst
  ixpk= 3298, nxpk= 1, iat= 762, 752, r1= 1.30, r2= 1.80, r3= 3.60, r4= 3.80,  &end
#
#   42 ARG  HA           66 THR  HA          3.00    (#   3317:1   Preassigned    2.19, 2.19 A)
 &rst
  ixpk= 3317, nxpk= 1, iat= 629, 987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 TYR  HB+          41 CYS  HA          4.00    (#   3320:1   Preassigned    2.94, 3.69 A)
# CHANGED TO HB3
 &rst
  ixpk= 3320, nxpk= 1, iat=  101, 619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   50 HIS  HB+          49 ALA  HA          4.00    (#   3321:1   Preassigned    4.38, 4.73 A)
# CHANGED TO H50 HB3
 &rst
  ixpk= 3321, nxpk= 1, iat=  765, 752, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   41 CYS  HB-          41 CYS  HA          3.00    (#   3322:1   Preassigned    2.43, 2.45 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 3322, nxpk= 1, iat=  622, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   40 PRO  HB+          40 PRO  HA          4.00    (#   3323:1   Preassigned    2.55, 2.66 A)
 &rst
  ixpk= 3323, nxpk= 1, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 610, 611,
 &end
#
#   40 PRO  HG+          40 PRO  HA          5.00    (#   3326:1   Preassigned    3.66, 3.96 A)
# CHANGED TO HG3
 &rst
  ixpk= 3326, nxpk= 1, iat=  608, 613, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 607, 608,
 &end
#
#    0 AMB  1-1:3327      0 AMB  1-2:3327    3.00    (#   3327:1   Double Ambig)
 &rst
  ixpk= 3327, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 610, 611,
 igr2= 987, 613,
 &end
#
#   49 ALA  QB           49 ALA  HA          3.00    (#   3328:1   Preassigned    2.39, 2.64 A)
 &rst
  ixpk= 3328, nxpk= 1, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 754, 755, 756,
 &end
#
#   66 THR  HG2          66 THR  HA          4.00    (#   3333:1   Preassigned    2.50, 2.95 A)
 &rst
  ixpk= 3333, nxpk= 1, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992, 993,
 &end
#
#    0 AMB  1-1:3334      0 AMB  1-2:3334    4.00    (#   3334:1   Double Ambig)
 &rst
  ixpk= 3334, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 664, 665, 666, 858, 859, 860,
 igr2= 987, 752,
 &end
#
#   28 THR  HB           78 GLN  HA          4.00    (#   3337:1   Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 3337, nxpk= 1, iat= 429,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HB           78 GLN  HA          4.00    (#   3338:1   Preassigned    4.11, 4.11 A)
 &rst
  ixpk= 3338, nxpk= 1, iat= 429,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 GLN  HG3          78 GLN  HA          4.00    (#   3342:1   Preassigned    2.55, 2.55 A)
 &rst
  ixpk= 3342, nxpk= 1, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 GLN  HB+          78 GLN  HA          4.00    (#   3343:1   Preassigned    2.22, 2.61 A)
# CHANGED TO HB3
 &rst
  ixpk= 3343, nxpk= 1, iat=  1156,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   78 GLN  HB-          78 GLN  HA          4.00    (#   3345:1   Preassigned    2.22, 2.61 A)
# CHANGED TO HB2
 &rst
  ixpk= 3345, nxpk= 1, iat=  1155,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HG           78 GLN  HA          4.00    (#   3347:1   Preassigned    3.12, 3.12 A)
 &rst
  ixpk= 3347, nxpk= 1, iat=1175,1153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 LEU  HB-          79 LEU  HA          4.00    (#   3358:1   Preassigned    2.50, 2.76 A)
# CHANGED TO HB3
 &rst
  ixpk= 3358, nxpk= 1, iat=  1173,1170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   79 LEU  HG           79 LEU  HA          4.00    (#   3359:1   Preassigned    2.68, 2.68 A)
 &rst
  ixpk= 3359, nxpk= 1, iat=1175,1170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 VAL  QG2          79 LEU  HA          4.00    (#   3360:1   Preassigned    3.56, 4.50 A)
 &rst
  ixpk= 3360, nxpk= 1, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 858, 859, 860,
 &end
#
#   79 LEU  QD2          79 LEU  HA          4.00    (#   3361:1   Preassigned    2.22, 3.09 A)
 &rst
  ixpk= 3361, nxpk= 1, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1181,1182,1183,
 &end
#
#   79 LEU  QD1          79 LEU  HA          4.00    (#   3363:1   Preassigned    4.44, 4.61 A)
 &rst
  ixpk= 3363, nxpk= 1, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1177,1178,1179,
 &end
#
#   28 THR  HB           28 THR  HA          4.00    (#   3368:1   Preassigned    2.43, 2.43 A)
 &rst
  ixpk= 3368, nxpk= 1, iat= 429, 427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 THR  HG2          28 THR  HA          5.00    (#   3373:1   Preassigned    3.09, 3.51 A)
 &rst
  ixpk= 3373, nxpk= 1, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 431, 432, 433,
 &end
#
#   16 THR  HB           17 TRP  HA          5.00    (#   3393:1   Preassigned    4.60, 4.60 A)
 &rst
  ixpk= 3393, nxpk= 1, iat= 248, 260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 VAL  HA           23 ASP  HA          4.00    (#   3426:1   Preassigned    2.55, 2.55 A)
 &rst
  ixpk= 3426, nxpk= 1, iat= 441, 368, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 GLN  HA           96 PHE  HA          4.00    (#   3431:1   Preassigned    4.26, 4.26 A)
# BIN SD Seq ha-ha add .3
 &rst
  ixpk= 3431, nxpk= 1, iat=1466,1446, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.70,  &end
#
#   97 GLN  HA           96 PHE  HA          4.00    (#   3432:1   Preassigned    4.26, 4.26 A)
# REMOVED PICKED TWICE
#&rst
# ixpk= 3432, nxpk= 1, iat=1466,1446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 LYS  HA            0 AMB  1-2:3635    5.00    (#   3635:1   Single Ambig)
 &rst
  ixpk= 3635, nxpk= 1, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1018,1033,
 &end
#
#   39 LYS  HA            0 AMB  1-2:3636    4.00    (#   3636:1   Single Ambig)
 &rst
  ixpk= 3636, nxpk= 1, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1018,1033,
 &end
#
#   66 THR  HB           68 GLU  HA          5.00    (#   3640:1   Unique         3.85, 3.85 A)
 &rst
  ixpk= 3640, nxpk= 1, iat= 989,1018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 PRO  HD+          62 THR  HA          5.00    (#   3645:1   Unique         2.22, 2.28 A)
# CHANGED TO HD3
 &rst
  ixpk= 3645, nxpk= 1, iat=  945, 931, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   63 PRO  HD+          62 THR  HA          5.00    (#   3646:1   Unique         2.22, 2.28 A)
# CHANGED TO HD3
 &rst
  ixpk= 3646, nxpk= 1, iat=  945, 931, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   66 THR  HB           68 GLU  HA          5.00    (#   3779:1   Preassigned    3.85, 3.85 A)
 &rst
  ixpk= 3779, nxpk= 1, iat= 989,1018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 PRO  HD-          62 THR  HA          4.00    (#   3783:1   Unique         2.22, 2.28 A)
# CHANGED TO HD2
 &rst
  ixpk= 3783, nxpk= 1, iat=  944, 931, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   62 THR  HG2          62 THR  HA          4.00    (#   3795:1   Preassigned    3.49, 3.82 A)
 &rst
  ixpk= 3795, nxpk= 1, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 936, 937,
 &end
#
#   13 ALA  QB           13 ALA  HA          4.00    (#   3809:1   Preassigned    2.25, 2.58 A)
 &rst
  ixpk= 3809, nxpk= 1, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 196, 197, 198,
 &end
#
#    0 AMB  1-1:3813      0 AMB  1-2:3813    5.00    (#   3813:1   Double Ambig)
 &rst
  ixpk= 3813, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 513, 514, 515,1259,
 igr2=1075,1076,1405,
 &end
#
#   85 ILE  HA           94 GLN  HA          3.00    (#   3820:1   Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 3820, nxpk= 1, iat=1250,1405, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   94 GLN  QG           94 GLN  HA          4.00    (#   3824:1   Preassigned    2.27, 2.92 A)
 &rst
  ixpk= 3824, nxpk= 1, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1410,1411,
 &end
#
#   85 ILE  QG2          94 GLN  HA          5.00    (#   3827:1   Preassigned    3.80, 4.78 A)
 &rst
  ixpk= 3827, nxpk= 1, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1254,1255,1256,
 &end
#
#   81 PRO  HB+          82 GLY  HA+         3.00    (#   3844:1   Preassigned    3.30, 4.23 A)
# CHANGED TO HB3
#&rst
# ixpk= 3844, nxpk= 1, iat=  1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
#igr2=1217,1218,
#&end
#
#   18 LYS  QB           18 LYS  HA          3.00    (#   3851:1   Preassigned    2.10, 2.47 A)
 &rst
  ixpk= 3851, nxpk= 1, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 286, 287,
 &end
#
#   18 LYS  HG+          18 LYS  HA          3.00    (#   3852:1   Preassigned    2.85, 3.30 A)
# CHANGED TO HG3
 &rst
  ixpk= 3852, nxpk= 1, iat=  290, 284, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   18 LYS  HG-          18 LYS  HA          4.00    (#   3854:1   Preassigned    2.85, 3.30 A)
# CHANGED TO HG2
 &rst
  ixpk= 3854, nxpk= 1, iat=  289, 284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB+          10 CYS  HA          3.00    (#   3864:1   Preassigned    2.40, 2.65 A)
# CHANGED TO HB3
 &rst
  ixpk= 3864, nxpk= 1, iat=  153, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   19 ARG  QG           19 ARG  HA          3.00    (#   3865:1   Preassigned    2.60, 2.89 A)
 &rst
  ixpk= 3865, nxpk= 1, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 311, 312,
 &end
#
#   20 ALA  QB           19 ARG  HA          4.00    (#   3866:1   Preassigned    4.28, 4.82 A)
 &rst
  ixpk= 3866, nxpk= 1, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 332, 333, 334,
 &end
#
#   20 ALA  HA           19 ARG  HA          4.00    (#   3876:1   Preassigned    4.21, 4.21 A)
#BIN add .3
 &rst
  ixpk= 3876, nxpk= 1, iat= 330, 306, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   41 CYS  HB+          10 CYS  HA          3.00    (#   3877:1   Preassigned    3.14, 3.31 A)
# CHANGED TO CYS HB2
 &rst
  ixpk= 3877, nxpk= 1, iat=  621, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr1= 621, 622,
 &end
#
#   41 CYS  HB-          10 CYS  HA          3.00    (#   3884:1   Preassigned    3.14, 3.31 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 3884, nxpk= 1, iat=  622, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 &end
#
#   41 CYS  HB-          10 CYS  HA          3.00    (#   3885:1   Preassigned    3.14, 3.31 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 3885, nxpk= 1, iat=  622, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 &end
#
#   10 CYS  HB+          10 CYS  HA          4.00    (#   3886:1   Preassigned    2.40, 2.65 A)
# CHANGED TO HB3
 &rst
  ixpk= 3886, nxpk= 1, iat=  153, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   57 VAL  HB           57 VAL  HA          3.00    (#   3890:1   Preassigned    2.04, 2.04 A)
 &rst
  ixpk= 3890, nxpk= 1, iat= 852, 850, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   94 GLN  QG           85 ILE  HA          5.00    (#   3892:1   Unique         3.62, 4.40 A)
 &rst
  ixpk= 3892, nxpk= 1, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1410,1411,
 &end
#
#   19 ARG  HB-          19 ARG  HA          3.00    (#   3896:1   Preassigned    2.40, 2.74 A)
# CHANGED TO ARG HB2
 &rst
  ixpk= 3896, nxpk= 1, iat=  308, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    0 AMB  1-1:3897      0 AMB  1-2:3897    3.00    (#   3897:1   Double Ambig)
 &rst
  ixpk= 3897, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 991, 992, 993, 854, 855, 856,
 igr2= 629, 850,
 &end
#
#   57 VAL  QG2          57 VAL  HA          3.00    (#   3899:1   Unique         3.73, 3.91 A)
# SD BIN 
 &rst
  ixpk= 3899, nxpk= 1, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.20,
 igr1= 858, 859, 860,
 &end
#
#   36 SER  HB+          36 SER  HA          3.00    (#   3906:1   Preassigned    2.30, 2.65 A)
 &rst
  ixpk= 3906, nxpk= 1, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 553, 554,
 &end
#
#   36 SER  HB-          36 SER  HA          3.00    (#   3907:1   Preassigned    2.30, 2.65 A)
 &rst
  ixpk= 3907, nxpk= 1, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 553, 554,
 &end
#
#    0 AMB  1-1:3909     42 ARG  HA          4.00    (#   3909:1   Single Ambig)
 &rst
  ixpk= 3909, nxpk= 1, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 637, 638, 100, 101,
 &end
#
#    7 TYR  HB-          42 ARG  HA          4.00    (#   3911:1   Unique         4.40, 4.48 A)
# CHANGED TO HB2
 &rst
  ixpk= 3911, nxpk= 1, iat=  100, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   11 ASP  HB-          11 ASP  HA          4.00    (#   3912:1   Preassigned    2.58, 2.84 A)
 &rst
  ixpk= 3912, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 162, 163,
 &end
#
#   64 ASN  HB+          64 ASN  HA          3.00    (#   3914:1   Preassigned    2.23, 2.66 A)
# CHANGED TO HB3
 &rst
  ixpk= 3914, nxpk= 1, iat=  962, 959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   64 ASN  HB+          64 ASN  HA          3.00    (#   3915:1   Preassigned    2.23, 2.66 A)
# CHANGED TO HB3
 &rst
  ixpk= 3915, nxpk= 1, iat=  962, 959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   64 ASN  HB-          64 ASN  HA          3.00    (#   3916:1   Preassigned    2.23, 2.66 A)
# CHANGED TO HB2
 &rst
  ixpk= 3916, nxpk= 1, iat=  961, 959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   65 PRO  QB           65 PRO  HA          3.00    (#   3918:1   Unique         2.12, 2.46 A)
 &rst
  ixpk= 3918, nxpk= 1, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 978, 979,
 &end
#
#   42 ARG  QB           42 ARG  HA          3.00    (#   3921:1   Unique         2.28, 2.63 A)
 &rst
  ixpk= 3921, nxpk= 1, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 631, 632,
 &end
#
#   62 THR  HG2          65 PRO  HA          4.00    (#   3923:1   Preassigned    3.83, 4.88 A)
 &rst
  ixpk= 3923, nxpk= 1, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 936, 937,
 &end
#
#   37 GLY  H            36 SER  HA          3.00    (#   3931:1   Preassigned    3.00, 3.00 A)
# BIN 3.2
 &rst
  ixpk= 3931, nxpk= 1, iat= 560, 551, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,  &end
#
#   66 THR  HB           42 ARG  HA          4.00    (#   3935:1   Preassigned    3.75, 3.75 A)
 &rst
  ixpk= 3935, nxpk= 1, iat= 989, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 THR  HB           42 ARG  HA          4.00    (#   3936:1   Preassigned    3.75, 3.75 A)
 &rst
  ixpk= 3936, nxpk= 1, iat= 989, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ASP  HB2          27 ASP  HA          3.00    (#   3938:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 3938, nxpk= 1, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ASP  HB2          27 ASP  HA          3.00    (#   3939:1   Preassigned    3.01, 3.01 A)
 &rst
  ixpk= 3939, nxpk= 1, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG12         85 ILE  HA          3.00    (#   3942:1   Preassigned    3.13, 3.13 A)
 &rst
  ixpk= 3942, nxpk= 1, iat=1258,1250, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ILE  HG1-         85 ILE  HA          4.00    (#   3944:1   Preassigned    3.87, 4.47 A)
# CHANGED TO HG12
 &rst
  ixpk= 3944, nxpk= 1, iat=  1277,1250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   14 LYS  HB+          14 LYS  HA          3.00    (#   3967:1   Preassigned    2.40, 2.69 A)
# CHANGED TO HB3
 &rst
  ixpk= 3967, nxpk= 1, iat=  207, 204, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   14 LYS  HB-          14 LYS  HA          3.00    (#   3969:1   Preassigned    2.40, 2.69 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 3969, nxpk= 1, iat=  206, 204, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   85 ILE  HG13         85 ILE  HA          3.00    (#   3970:1   Preassigned    2.29, 2.29 A)
 &rst
  ixpk= 3970, nxpk= 1, iat=1259,1250, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  HG+          14 LYS  HA          3.00    (#   3974:1   Preassigned    3.37, 3.73 A)
 &rst
  ixpk= 3974, nxpk= 1, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 209, 210,
 &end
#
#   11 ASP  HB+          11 ASP  HA          3.00    (#   3997:1   Preassigned    2.58, 2.84 A)
 &rst
  ixpk= 3997, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB+          11 ASP  HA          3.00    (#   3998:1   Preassigned    2.58, 2.84 A)
 &rst
  ixpk= 3998, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   11 ASP  HB-          11 ASP  HA          3.00    (#   3999:1   Preassigned    2.58, 2.84 A)
 &rst
  ixpk= 3999, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 162, 163,
 &end
#
#   12 LYS  QG           11 ASP  HA          4.00    (#   4003:1   Preassigned    3.82, 4.07 A)
 &rst
  ixpk= 4003, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 177, 178,
 &end
#
#   12 LYS  QG           11 ASP  HA          4.00    (#   4004:1   Preassigned    3.82, 4.07 A)
 &rst
  ixpk= 4004, nxpk= 1, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 177, 178,
 &end
#
#   12 LYS  HA           11 ASP  HA          4.00    (#   4006:1   Preassigned    4.34, 4.34 A)
# BIN 4.5
 &rst
  ixpk= 4006, nxpk= 1, iat= 172, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,  &end
#
#   16 THR  HG2          16 THR  HA          3.00    (#   4010:1   Preassigned    2.63, 3.23 A)
 &rst
  ixpk= 4010, nxpk= 1, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 250, 251, 252,
 &end
#
#   16 THR  HB           16 THR  HA          3.00    (#   4018:1   Preassigned    2.41, 2.41 A)
 &rst
  ixpk= 4018, nxpk= 1, iat= 248, 246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 PHE  HB2          16 THR  HA          5.00    (#   4024:1   Preassigned    4.65, 4.65 A)
 &rst
  ixpk= 4024, nxpk= 1, iat= 228, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  QD2          16 THR  HA          3.00    (#   4025:1   Preassigned    2.72, 3.53 A)
 &rst
  ixpk= 4025, nxpk= 1, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1358,1359,1360,
 &end
#
#   30 VAL  QG1          29 VAL  HA          4.00    (#   4036:1   Unique         3.66, 4.59 A)
 &rst
  ixpk= 4036, nxpk= 1, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   75 ILE  QG2          75 ILE  HA          3.00    (#   4037:1   Unique         2.70, 3.24 A)
 &rst
  ixpk= 4037, nxpk= 1, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1106,1107,1108,
 &end
#
#   29 VAL  QG2          29 VAL  HA          3.00    (#   4038:1   Preassigned    2.52, 3.06 A)
 &rst
  ixpk= 4038, nxpk= 1, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 449, 450, 451,
 &end
#
#   29 VAL  QG1          29 VAL  HA          3.00    (#   4039:1   Preassigned    2.38, 2.98 A)
 &rst
  ixpk= 4039, nxpk= 1, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 445, 446, 447,
 &end
#
#   63 PRO  HD-          62 THR  HB          4.00    (#   4044:1   Unique         3.29, 3.84 A)
# CHANGED TO HD2
 &rst
  ixpk= 4044, nxpk= 1, iat=  944, 933, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   62 THR  HG2          62 THR  HB          3.00    (#   4046:1   Preassigned    2.05, 2.51 A)
 &rst
  ixpk= 4046, nxpk= 1, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 935, 936, 937,
 &end
#
#   42 ARG  QD            5 LEU  HA          5.00    (#   4059:1   Preassigned    4.25, 4.73 A)
 &rst
  ixpk= 4059, nxpk= 1, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 637, 638,
 &end
#
#    9 MET  HG+           8 THR  HA          3.00    (#   4060:1   Preassigned    3.08, 3.98 A)
# CHANGED TO HG2
 &rst
  ixpk= 4060, nxpk= 1, iat=  138, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   48 VAL  HB           53 PRO  HA          3.00    (#   4061:1   Unique         2.46, 2.46 A)
 &rst
  ixpk= 4061, nxpk= 1, iat= 738, 804, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 VAL  HB           31 MET  HA          3.00    (#   4062:1   Preassigned    3.93, 3.93 A)
# BIN to 4
 &rst
  ixpk= 4062, nxpk= 1, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ARG  HB+          31 MET  HA          3.00    (#   4064:1   Preassigned    3.03, 3.52 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 4064, nxpk= 1, iat=  309, 473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    8 THR  HG2           8 THR  HA          3.00    (#   4066:1   Preassigned    2.53, 3.18 A)
 &rst
  ixpk= 4066, nxpk= 1, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 123, 124, 125,
 &end
#
#   48 VAL  QG1          53 PRO  HA          3.00    (#   4067:1   Unique         3.12, 3.90 A)
 &rst
  ixpk= 4067, nxpk= 1, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          53 PRO  HA          3.00    (#   4068:1   Unique         2.45, 3.03 A)
 &rst
  ixpk= 4068, nxpk= 1, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#    8 THR  HB            8 THR  HA          3.00    (#   4077:1   Unique         2.42, 2.42 A)
 &rst
  ixpk= 4077, nxpk= 1, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 PRO  HD-          62 THR  HB          3.00    (#   4078:1   Unique         3.29, 3.84 A)
# CHANGED TO HD2
# BIN TO 4.0
 &rst
  ixpk= 4078, nxpk= 1, iat=  944, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   20 ALA  HA           31 MET  HA          4.00    (#   4079:1   Preassigned    4.15, 4.15 A)
# CHANGE ASSIGNMENT to P53HA to HD3
 &rst
  ixpk= 4079, nxpk= 1, iat= 804, 796, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 ARG  QD            5 LEU  HA          5.00    (#   4080:1   Preassigned    4.25, 4.73 A)
 &rst
  ixpk= 4080, nxpk= 1, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 637, 638,
 &end
#
#   31 MET  HG+          31 MET  HA          4.00    (#   4081:1   Preassigned    3.60, 3.79 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 4081, nxpk= 1, iat=  478, 473, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   90 GLU  HB+          90 GLU  HA          3.00    (#   4083:1   Preassigned    2.52, 2.78 A)
# CHANGED TO HB3
 &rst
  ixpk= 4083, nxpk= 1, iat=  1335,1332, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    0 AMB  1-1:4084      0 AMB  1-2:4084    4.00    (#   4084:1   Double Ambig)
 &rst
  ixpk= 4084, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 978, 979, 478, 479,
 igr2=1102, 473,
 &end
#
#    0 AMB  1-1:4085      0 AMB  1-2:4085    4.00    (#   4085:1   Double Ambig)
 &rst
  ixpk= 4085, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 978, 979, 478, 479,
 igr2=1102, 473,
 &end
#
#   31 MET  HB-          31 MET  HA          3.00    (#   4087:1   Preassigned    2.41, 2.49 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 4087, nxpk= 1, iat=  476, 473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   75 ILE  HG1+         75 ILE  HA          3.00    (#   4088:1   Preassigned    1.94, 2.40 A)
# CHANGE TO HG13
# BIN
 &rst
  ixpk= 4088, nxpk= 1, iat=  1111,1102, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,
 &end
#
#   37 GLY  HA-          37 GLY  H           3.00    (#   4097:1   Preassigned    2.71, 2.90 A)
# CHANGED TO HA3
 &rst
  ixpk= 4097, nxpk= 1, iat=  563, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   75 ILE  HG1-         75 ILE  HA          3.00    (#   4102:1   Preassigned    1.94, 2.40 A)
# CHANGE TO HG13
 &rst
  ixpk= 4102, nxpk= 1, iat=  1110,1102, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   75 ILE  QD1          75 ILE  HA          3.00    (#   4103:1   Preassigned    3.63, 4.09 A)
# BIN METHY SD 3.6 to 4.0
 &rst
  ixpk= 4103, nxpk= 1, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.50,
 igr1=1113,1114,1115,
 &end
#
#   37 GLY  HA-          37 GLY  H           3.00    (#   4115:1   Preassigned    2.71, 2.90 A)
# CHANGED TO HA3
 &rst
  ixpk= 4115, nxpk= 1, iat=  563, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   90 GLU  HB-          90 GLU  HA          3.00    (#   4117:1   Preassigned    2.52, 2.78 A)
# CHANGED TO HB2
 &rst
  ixpk= 4117, nxpk= 1, iat=  1334,1332, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    5 LEU  QD2           5 LEU  HA          4.00    (#   4120:1   Preassigned    4.48, 4.75 A)
 &rst
  ixpk= 4120, nxpk= 1, iat=  -1,  65, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  76,  77,  78,
 &end
#
#    0 AMB  1-1:4123      0 AMB  1-2:4123    5.00    (#   4123:1   Double Ambig)
 &rst
  ixpk= 4123, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 553, 554,1325,
 igr2= 560,1332,
 &end
#
#    6 THR  HG2           6 THR  HA          3.00    (#   4129:1   Preassigned    2.73, 3.20 A)
 &rst
  ixpk= 4129, nxpk= 1, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  88,  89,  90,
 &end
#
#   63 PRO  HD+          63 PRO  HA          5.00    (#   4133:1   Unique         2.93, 3.44 A)
# CHANGED TO HD3
 &rst
  ixpk= 4133, nxpk= 1, iat=  945, 953, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   63 PRO  HG2          63 PRO  HA          3.00    (#   4135:1   Unique         3.71, 3.71 A)
# CHANGE TO HG3= atom 948
 &rst
  ixpk= 4135, nxpk= 1, iat= 948, 953, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 GLN  HB-          28 THR  HB          3.00    (#   4136:1   Unique         2.91, 3.71 A)
# CHANGED TO HB2
 &rst
  ixpk= 4136, nxpk= 1, iat=  1155, 429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   60 LEU  HB+          63 PRO  HA          4.00    (#   4137:1   Preassigned    3.80, 4.19 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 4137, nxpk= 1, iat=  895, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG-          21 PRO  HA          4.00    (#   4138:1   Unique         2.81, 3.33 A)
# CHANGED TO HG2
 &rst
  ixpk= 4138, nxpk= 1, iat=  342, 348, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   61 ILE  QD1          28 THR  HB          5.00    (#   4139:1   Unique         4.55, 4.93 A)
 &rst
  ixpk= 4139, nxpk= 1, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 923, 924, 925,
 &end
#
#   97 GLN  HB-          97 GLN  HA          3.00    (#   4150:1   Preassigned    2.18, 2.51 A)
# CHANGED TO HB3
 &rst
  ixpk= 4150, nxpk= 1, iat=  1469,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   81 PRO  HA           97 GLN  HA          4.00    (#   4156:1   Preassigned    4.22, 4.22 A)
# BIN 4.3
 &rst
  ixpk= 4156, nxpk= 1, iat=1211,1466, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,  &end
#
#   31 MET  HB+          21 PRO  HA          3.00    (#   4176:1   Preassigned    2.39, 2.99 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 4176, nxpk= 1, iat=  475, 348, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   76 GLU  QG           28 THR  HB          3.00    (#   4177:1   Preassigned    2.14, 2.64 A)
 &rst
  ixpk= 4177, nxpk= 1, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1126,1127,
 &end
#
#   78 GLN  HB+          28 THR  HB          5.00    (#   4180:1   Preassigned    2.91, 3.71 A)
# CHANGED TO HB3
 &rst
  ixpk= 4180, nxpk= 1, iat=  1156, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   31 MET  HB-          21 PRO  HA          3.00    (#   4181:1   Preassigned    2.39, 2.99 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 4181, nxpk= 1, iat=  476, 348, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   21 PRO  HG+          21 PRO  HA          3.00    (#   4182:1   Unique         2.81, 3.33 A)
# CHANGED TO HG3
 &rst
  ixpk= 4182, nxpk= 1, iat=  343, 348, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#    0 AMB  1-1:4184      0 AMB  1-2:4184    3.00    (#   4184:1   Double Ambig)
 &rst
  ixpk= 4184, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 345, 346, 431, 432, 433,
 igr2= 348, 429,
 &end
#
#   29 VAL  QG2          97 GLN  HA          3.00    (#   4188:1   Unique         4.37, 4.84 A)
# BIN methyl to 4.5
 &rst
  ixpk= 4188, nxpk= 1, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 449, 450, 451,
 &end
#
#   22 THR  HB           21 PRO  HA          4.00    (#   4203:1   Preassigned    4.45, 4.45 A)
# BIN 4.5
 &rst
  ixpk= 4203, nxpk= 1, iat= 356, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HB+          55 VAL  HA          4.00    (#   4204:1   Preassigned    4.37, 4.42 A)
# CHANGED TO D56 HB2
# BIN 4.3
 &rst
  ixpk= 4204, nxpk= 1, iat=  840, 822, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.60,
 &end
#
#    0 AMB  1-1:4205     55 VAL  HA          4.00    (#   4205:1   Single Ambig)
 &rst
  ixpk= 4205, nxpk= 1, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 840, 841, 812, 813,
 &end
#
#   54 ASP  HB-          55 VAL  HA          4.00    (#   4206:1   Preassigned    4.43, 4.66 A)
# CHANGED TO D54 HB2
 &rst
  ixpk= 4206, nxpk= 1, iat=  812, 822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   97 GLN  HB+          97 GLN  HA          3.00    (#   4207:1   Unique         2.18, 2.51 A)
# CHANGED TO HB2
 &rst
  ixpk= 4207, nxpk= 1, iat=  1468,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.00,
 &end
#
#    8 THR  HG2           8 THR  HB          3.00    (#   4208:1   Preassigned    2.26, 2.56 A)
 &rst
  ixpk= 4208, nxpk= 1, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 123, 124, 125,
 &end
#
#   55 VAL  QQG          55 VAL  HA          3.00    (#   4211:1   Preassigned    2.36, 3.07 A)
 &rst
  ixpk= 4211, nxpk= 1, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 826, 827, 828, 830, 831, 832,
 &end
#
#   29 VAL  QG1          21 PRO  HA          3.00    (#   4213:1   Preassigned    3.46, 3.99 A)
 &rst
  ixpk= 4213, nxpk= 1, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 445, 446, 447,
 &end
#
#   38 THR  HB           39 LYS  HA          3.00    (#   4224:1   Preassigned    3.27, 3.27 A)
# BIN add .3
 &rst
  ixpk= 4224, nxpk= 1, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,  &end
#
#    0 AMB  1-1:4227      0 AMB  1-2:4227    3.00    (#   4227:1   Double Ambig)
 &rst
  ixpk= 4227, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1349,1350, 895, 896,
 igr2=1347, 893,
 &end
#
#   91 LEU  QD1          91 LEU  HA          3.00    (#   4228:1   Preassigned    2.34, 3.09 A)
 &rst
  ixpk= 4228, nxpk= 1, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1354,1355,1356,
 &end
#
#   91 LEU  QD2          91 LEU  HA          3.00    (#   4229:1   Preassigned    4.42, 4.54 A)
# BIN Me add 1Ang
 &rst
  ixpk= 4229, nxpk= 1, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1358,1359,1360,
 &end
#
#   77 MET  HB+          60 LEU  HA          3.00    (#   4234:1   Preassigned    2.30, 2.70 A)
# CHANGED TO HB3
 &rst
  ixpk= 4234, nxpk= 1, iat=  1138, 893, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   60 LEU  HB+          60 LEU  HA          3.00    (#   4235:1   Preassigned    2.57, 2.74 A)
# CHANGED TO L60 HB2
 &rst
  ixpk= 4235, nxpk= 1, iat=  895, 893, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   60 LEU  HG           60 LEU  HA          3.00    (#   4236:1   Preassigned    2.51, 2.51 A)
 &rst
  ixpk= 4236, nxpk= 1, iat= 898, 893, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 LYS  HB-          91 LEU  HA          3.00    (#   4237:1   Unique         4.19, 4.83 A)
# CHANGED TO HB2
# Bin SD
#&rst
# ixpk= 4237, nxpk= 1, iat=  1368,1347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
#&end
#
#   39 LYS  HB-          39 LYS  HA          3.00    (#   4238:1   Preassigned    2.12, 2.60 A)
# CHANGED TO LYS39 HB3
 &rst
  ixpk= 4238, nxpk= 1, iat=  586, 583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.37,
 &end
#
#   14 LYS  HG-          37 GLY  HA+         4.00    (#   4239:1   Preassigned    3.39, 4.22 A)
# CHANGED TO HA2
 &rst
  ixpk= 4239, nxpk= 1, iat=  -1,  562, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.84,
 igr1= 209, 210,
 &end
#
#   87 TYR  HB-          86 ILE  HA          4.00    (#   4249:1   Unique         4.02, 4.68 A)
# CHANGED TO HB2
 &rst
  ixpk= 4249, nxpk= 1, iat=  1290,1269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.49,
 &end
#
#    0 AMB  1-1:4250      0 AMB  1-2:4250    3.00    (#   4250:1   Double Ambig)
 &rst
  ixpk= 4250, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 585, 586,1138,1139,
 igr2= 583, 893,
 &end
#
#   47 ALA  QB           86 ILE  HA          3.00    (#   4251:1   Preassigned    2.94, 3.52 A)
 &rst
  ixpk= 4251, nxpk= 1, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 728, 729, 730,
 &end
#
#    0 AMB  1-1:4252     86 ILE  HA          3.00    (#   4252:1   Single Ambig)
 &rst
  ixpk= 4252, nxpk= 1, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1273,1274,1275,1277,1278,
 &end
#
#   86 ILE  QD1          86 ILE  HA          4.00    (#   4254:1   Preassigned    4.32, 4.65 A)
 &rst
  ixpk= 4254, nxpk= 1, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1280,1281,1282,
 &end
#
#   87 TYR  HB-          86 ILE  HA          4.00    (#   4259:1   Unique         4.02, 4.68 A)
# CHANGED TO HB2
 &rst
  ixpk= 4259, nxpk= 1, iat=  1290,1269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  HG1+         86 ILE  HA          3.00    (#   4263:1   Preassigned    2.63, 2.93 A)
# CHANGED TO HG13
# BIN 3.2
 &rst
  ixpk= 4263, nxpk= 1, iat=  1278,1269, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,
 &end
#
#   44 PRO  HG+          89 GLY  HA3         3.00    (#   4279:1   Preassigned    2.92, 3.25 A)
# CHANGED TO HG3
# BIN 3.5
 &rst
  ixpk= 4279, nxpk= 1, iat=  675,1326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   12 LYS  QB            0 AMB  1-2:4281    3.00    (#   4281:1   Single Ambig)
 &rst
  ixpk= 4281, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 174, 175,
 igr2= 172,1326,
 &end
#
#   44 PRO  HG-          89 GLY  HA3         3.00    (#   4282:1   Preassigned    2.92, 3.25 A)
# CHANGE TO HG2
 &rst
  ixpk= 4282, nxpk= 1, iat=  674,1326, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   68 GLU  QB           72 GLY  HA-         3.00    (#   4283:1   Unique         2.65, 3.73 A)
# CHANGED TO HB2
# CHANGED TO HA2
 &rst
  ixpk= 4283, nxpk= 1, iat=  1020,  1068, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   39 LYS  HB+          39 LYS  HA          3.00    (#   4284:1   Unique         2.12, 2.60 A)
# CHANGED TO LYS39 HB2
 &rst
  ixpk= 4284, nxpk= 1, iat=  585, 583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   40 PRO  HB+          39 LYS  HA          5.00    (#   4294:1   Preassigned    4.67, 4.75 A)
 &rst
  ixpk= 4294, nxpk= 1, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 610, 611,
 &end
#
#   12 LYS  QB           12 LYS  HA          3.00    (#   4296:1   Preassigned    2.54, 2.82 A)
 &rst
  ixpk= 4296, nxpk= 1, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 174, 175,
 &end
#
#   16 THR  HG2          16 THR  HB          3.00    (#   4317:1   Preassigned    2.51, 2.73 A)
 &rst
  ixpk= 4317, nxpk= 1, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 250, 251, 252,
 &end
#
#   87 TYR  HB+          88 VAL  HA          3.00    (#   4333:1   Unique         3.55, 3.96 A)
# CHANGED TO HB3
# BIN 3.2
 &rst
  ixpk= 4333, nxpk= 1, iat=  1291,1309, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,
 &end
#
#   79 LEU  HG           58 ALA  HA          3.00    (#   4336:1   Preassigned    2.72, 2.72 A)
 &rst
  ixpk= 4336, nxpk= 1, iat=1175, 866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 LEU  HG           58 ALA  HA          3.00    (#   4337:1   Preassigned    2.72, 2.72 A)
 &rst
  ixpk= 4337, nxpk= 1, iat=1175, 866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 VAL  QG2          88 VAL  HA          3.00    (#   4339:1   Unique         3.40, 4.22 A)
 &rst
  ixpk= 4339, nxpk= 1, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 694, 695, 696,
 &end
#
#   99 GLY  HA3          98 LYS  HA          3.00    (#   4344:1   Preassigned    2.16, 2.16 A)
 &rst
  ixpk= 4344, nxpk= 1, iat=1506,1483, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 PRO  HB+          98 LYS  HA          3.00    (#   4346:1   Unique         3.78, 4.32 A)
# CHANGED TO HB3
 &rst
  ixpk= 4346, nxpk= 1, iat=  1209,1483, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.57,
 &end
#
#   66 THR  HG2          66 THR  HB          3.00    (#   4348:1   Preassigned    2.48, 2.71 A)
 &rst
  ixpk= 4348, nxpk= 1, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 991, 992, 993,
 &end
#
#   99 GLY  HA2          98 LYS  HA          4.00    (#   4361:1   Preassigned    3.55, 3.55 A)
 &rst
  ixpk= 4361, nxpk= 1, iat=1505,1483, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 LYS  QB           98 LYS  HA          3.00    (#   4364:1   Preassigned    2.53, 2.76 A)
 &rst
  ixpk= 4364, nxpk= 1, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1485,1486,
 &end
#
#   77 MET  HB-          58 ALA  HA          4.00    (#   4365:1   Preassigned    3.38, 4.24 A)
# CHANGED TO HB2
 &rst
  ixpk= 4365, nxpk= 1, iat=  1138, 866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   60 LEU  HB-          61 ILE  HA          4.00    (#   4366:1   Preassigned    4.43, 4.97 A)
# CHANGED TO L60 HB3
# BIN to 5.0
 &rst
  ixpk= 4366, nxpk= 1, iat=  896, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 &end
#
#   98 LYS  HG-          98 LYS  HA          4.00    (#   4367:1   Preassigned    2.22, 2.55 A)
# CHANGED TO HG3
 &rst
  ixpk= 4367, nxpk= 1, iat=  1489,1483, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   61 ILE  HG12         61 ILE  HA          3.00    (#   4368:1   Preassigned    3.23, 3.23 A)
# BIN 3.4
 &rst
  ixpk= 4368, nxpk= 1, iat= 920, 912, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.70,  &end
#
#    0 AMB  1-1:4369      0 AMB  1-2:4369    3.00    (#   4369:1   Double Ambig)
 &rst
  ixpk= 4369, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1177,1178,1179, 661, 662,
 igr2= 866, 989,
 &end
#
#   79 LEU  QD2          58 ALA  HA          4.00    (#   4370:1   Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 4370, nxpk= 1, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1181,1182,1183,
 &end
#
#   44 PRO  HD2          88 VAL  HA          3.00    (#   4383:1   Unique         3.41, 3.41 A)
# BIN 3.5
 &rst
  ixpk= 4383, nxpk= 1, iat= 671,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,  &end
#
#   87 TYR  HB-          88 VAL  HA          4.00    (#   4387:1   Preassigned    3.55, 3.96 A)
# CHANGED TO HB2
 &rst
  ixpk= 4387, nxpk= 1, iat=  1290,1309, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   44 PRO  HG+          88 VAL  HA          3.00    (#   4388:1   Preassigned    3.07, 3.94 A)
# CHANGED TO HG3
#&rst
# ixpk= 4388, nxpk= 1, iat=  675,1309, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
#&end
#
#   98 LYS  QD           98 LYS  HA          4.00    (#   4389:1   Preassigned    4.39, 4.58 A)
 &rst
  ixpk= 4389, nxpk= 1, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1491,1492,
 &end
#
#   88 VAL  QG2          88 VAL  HA          3.00    (#   4391:1   Preassigned    2.42, 3.14 A)
 &rst
  ixpk= 4391, nxpk= 1, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1317,1318,1319,
 &end
#
#   43 ILE  QG2          88 VAL  HA          3.00    (#   4392:1   Preassigned    3.23, 4.04 A)
 &rst
  ixpk= 4392, nxpk= 1, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   40 PRO  HD2          38 THR  HB          4.00    (#   4401:1   Unique         4.65, 4.65 A)
 &rst
  ixpk= 4401, nxpk= 1, iat= 604, 571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 THR  HG2          38 THR  HB          3.00    (#   4403:1   Preassigned    2.41, 2.73 A)
 &rst
  ixpk= 4403, nxpk= 1, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 573, 574, 575,
 &end
#
#   41 CYS  HB-          38 THR  HB          5.00    (#   4410:1   Unique         3.52, 4.36 A)
# CHANGED TO CYS HB3
 &rst
  ixpk= 4410, nxpk= 1, iat=  622, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   14 LYS  HB-          36 SER  HB+         4.00    (#   4422:1   Unique         2.85, 4.43 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 4422, nxpk= 1, iat=  206,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 553, 554,
 &end
#
#   30 VAL  QG1          24 SER  HA          4.00    (#   4423:1   Preassigned    3.50, 4.14 A)
 &rst
  ixpk= 4423, nxpk= 1, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 461, 462, 463,
 &end
#
#   30 VAL  QG2          24 SER  HA          3.00    (#   4424:1   Preassigned    2.89, 3.65 A)
 &rst
  ixpk= 4424, nxpk= 1, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 465, 466, 467,
 &end
#
#   61 ILE  HB           61 ILE  HA          3.00    (#   4435:1   Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 4435, nxpk= 1, iat= 914, 912, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 ILE  QG2          61 ILE  HA          3.00    (#   4436:1   Preassigned    2.55, 3.20 A)
 &rst
  ixpk= 4436, nxpk= 1, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 916, 917, 918,
 &end
#
#   61 ILE  QD1          61 ILE  HA          3.00    (#   4437:1   Preassigned    2.20, 2.78 A)
 &rst
  ixpk= 4437, nxpk= 1, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 923, 924, 925,
 &end
#
#   14 LYS  HB-          36 SER  HB+         3.00    (#   4470:1   Unique         2.85, 4.43 A)
# CHANGED TO LYS HB2
# BIN 4
 &rst
  ixpk= 4470, nxpk= 1, iat=  206,  553, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   30 VAL  QG2          22 THR  HB          4.00    (#   4471:1   Unique         4.08, 4.93 A)
# BIN 5
 &rst
  ixpk= 4471, nxpk= 1, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.30,
 igr1= 465, 466, 467,
 &end
#
#   81 PRO  HG+          99 GLY  HA2         3.00    (#   4495:1   Unique         4.40, 4.40 A)
# CHANGED TO HG2
#&rst
# ixpk= 4495, nxpk= 1, iat=  1205,1505, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
#&end
#
#   82 GLY  HA-          81 PRO  HA          5.00    (#   4504:1   Preassigned    3.78, 4.04 A)
# CHANGED TO HA3
 &rst
  ixpk= 4504, nxpk= 1, iat= 1218,1211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   81 PRO  HD3          81 PRO  HA          3.00    (#   4545:1   Unique         3.16, 3.16 A)
# BIN add .5
 &rst
  ixpk= 4545, nxpk= 1, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.70,  &end
#
#   82 GLY  HA-          81 PRO  HA          4.00    (#   4546:1   Preassigned    3.78, 4.04 A)
# CHANGED TO HA3
 &rst
  ixpk= 4546, nxpk= 1, iat= 1218,1211, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   82 GLY  HA-          81 PRO  HA          4.00    (#   4547:1   Preassigned    3.78, 4.04 A)
# CHANGED TO HA3
 &rst
  ixpk= 4547, nxpk= 1, iat=  1218,1211, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   97 GLN  QG           81 PRO  HA          3.00    (#   4549:1   Preassigned    2.13, 2.61 A)
 &rst
  ixpk= 4549, nxpk= 1, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1471,1472,
 &end
#
#   81 PRO  HB+          81 PRO  HA          3.00    (#   4551:1   Preassigned    2.49, 2.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 4551, nxpk= 1, iat=  1209,1211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   81 PRO  HB+          81 PRO  HA          3.00    (#   4552:1   Preassigned    2.49, 2.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 4552, nxpk= 1, iat=  1209,1211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   81 PRO  HG-          81 PRO  HA          3.00    (#   4554:1   Preassigned    2.46, 3.00 A)
# CHANGED TO HG3
 &rst
  ixpk= 4554, nxpk= 1, iat=  1206,1211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   97 GLN  HB-          81 PRO  HA          3.00    (#   4555:1   Unique         2.11, 2.87 A)
# CHANGED TO HB3
 &rst
  ixpk= 4555, nxpk= 1, iat=  1469,1211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   98 LYS  HG-          99 GLY  HA3         4.00    (#   4619:1   Preassigned    3.25, 3.95 A)
# CHANGED TO HG3
 &rst
  ixpk= 4619, nxpk= 1, iat=  1489,1506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   81 PRO  HB+          99 GLY  HA3         3.00    (#   4638:1   Unique         4.83, 5.00 A)
# CHANGED TO HB3
# BIN TO 3.5
 &rst
  ixpk= 4638, nxpk= 1, iat=  1209,1506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   81 PRO  HG-          99 GLY  HA3         4.00    (#   4641:1   Unique         2.66, 2.78 A)
# CHANGED TO HG3
 &rst
  ixpk= 4641, nxpk= 1, iat=  1206,1506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   81 PRO  HG-          99 GLY  HA3         4.00    (#   4642:1   Unique         2.66, 2.78 A)
# CHANGED TO HG3
 &rst
  ixpk= 4642, nxpk= 1, iat=  1206,1506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   53 PRO  HB+          53 PRO  HD+         3.00    (#   4831:1   Unique         2.78, 3.64 A)
 &rst
  ixpk= 4831, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 801, 802,
 igr2= 795, 796,
 &end
#
#   66 THR  HG2           4 GLY  HA-         4.00    (#   4869:1   Preassigned    2.55, 3.92 A)
 &rst
  ixpk= 4869, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 991, 992, 993,
 igr2=  58,  59,
 &end
#
#   67 MET  QG           73 GLY  HA-         4.00    (#   4956:1   Unique         2.06, 3.29 A)
# CHANGED TO HA2
 &rst
  ixpk= 4956, nxpk= 1, iat=  -1,  1075, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.50,
 igr1=1006,1007,
 &end
#
#   63 PRO  HG3          63 PRO  HD-         4.00    (#   4957:1   Unique         2.54, 2.65 A)
# CHANGED TO HD2
 &rst
  ixpk= 4957, nxpk= 1, iat= 948,  944, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   63 PRO  HG3          63 PRO  HD-         5.00    (#   4958:1   Unique         2.54, 2.65 A)
# CHANGED TO HD2
 &rst
  ixpk= 4958, nxpk= 1, iat= 948,  944, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   33 VAL  QG2          73 GLY  HA-         3.00    (#   4965:1   Preassigned    2.51, 3.65 A)
# CHANGED TO HA2
 &rst
  ixpk= 4965, nxpk= 1, iat=  -1,  1075, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 513, 514, 515,
 &end
#
#   43 ILE  QD1          73 GLY  HA-         3.00    (#   4967:1   Preassigned    2.04, 3.44 A)
# CHANGED TO HA2
 &rst
  ixpk= 4967, nxpk= 1, iat=  -1,  1075, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 664, 665, 666,
 &end
#
#   10 CYS  HB-          43 ILE  HA          4.00    (#   4975:1   Preassigned    3.13, 3.80 A)
# CHANGED TO HB2
 &rst
  ixpk= 4975, nxpk= 1, iat=  152, 653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   44 PRO  HD3          43 ILE  HA          3.00    (#   5012:1   Unique         2.04, 2.04 A)
 &rst
  ixpk= 5012, nxpk= 1, iat= 672, 653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 CYS  HB+          43 ILE  HA          4.00    (#   5015:1   Preassigned    3.13, 3.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 5015, nxpk= 1, iat=  153, 653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   10 CYS  HB+          43 ILE  HA          5.00    (#   5016:1   Preassigned    3.13, 3.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 5016, nxpk= 1, iat=  153, 653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   10 CYS  HB+          43 ILE  HA          5.00    (#   5017:1   Preassigned    3.13, 3.80 A)
# CHANGED TO HB3
 &rst
  ixpk= 5017, nxpk= 1, iat=  153, 653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   44 PRO  HG+          43 ILE  HA          4.00    (#   5019:1   Preassigned    4.37, 4.44 A)
# CHANGED TO HG3
# BIN 4.5
 &rst
  ixpk= 5019, nxpk= 1, iat=  675, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 4.80,
 &end
#
#   10 CYS  HB-          43 ILE  HA          3.00    (#   5020:1   Preassigned    3.13, 3.80 A)
# CHANGED TO HB2
 &rst
  ixpk= 5020, nxpk= 1, iat=  152, 653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   42 ARG  QG           43 ILE  HA          3.00    (#   5022:1   Unique         4.73, 4.89 A)
# BIN add 1.0
#&rst
# ixpk= 5022, nxpk= 1, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
#igr1= 634, 635,
#&end
#
#   43 ILE  HB           43 ILE  HA          4.00    (#   5024:1   Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 5024, nxpk= 1, iat= 655, 653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HB           43 ILE  HA          4.00    (#   5025:1   Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 5025, nxpk= 1, iat= 655, 653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 ILE  HG1-         43 ILE  HA          3.00    (#   5026:1   Preassigned    2.23, 2.59 A)
# CHANGE TO HG12
 &rst
  ixpk= 5026, nxpk= 1, iat=  661, 653, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   43 ILE  QD1          43 ILE  HA          3.00    (#   5027:1   Preassigned    3.78, 4.23 A)
# BIN SD 3.6 to 4.6
 &rst
  ixpk= 5027, nxpk= 1, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 664, 665, 666,
 &end
#
#   43 ILE  QG2          43 ILE  HA          3.00    (#   5028:1   Preassigned    2.69, 3.16 A)
 &rst
  ixpk= 5028, nxpk= 1, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   30 VAL  QG1          24 SER  QB          3.00    (#   5047:1   Preassigned    2.21, 3.78 A)
 &rst
  ixpk= 5047, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 461, 462, 463,
 igr2= 382, 383,
 &end
#
#   30 VAL  QG2          24 SER  QB          3.00    (#   5048:1   Preassigned    3.10, 4.76 A)
 &rst
  ixpk= 5048, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 465, 466, 467,
 igr2= 382, 383,
 &end
#
#   44 PRO  HG+          89 GLY  HA2         3.00    (#   5068:1   Unique         2.35, 2.61 A)
$ CHANGED TO HG3
 &rst
  ixpk= 5068, nxpk= 1, iat=  675,1325, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   44 PRO  HG-          89 GLY  HA2         3.00    (#   5071:1   Preassigned    2.35, 2.61 A)
# CHANGE TO HG2
 &rst
  ixpk= 5071, nxpk= 1, iat=  674,1325, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   30 VAL  QG2          24 SER  QB          3.00    (#   5072:1   Preassigned    3.10, 4.76 A)
 &rst
  ixpk= 5072, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 465, 466, 467,
 igr2= 382, 383,
 &end
#
#   97 GLN  QG           81 PRO  HD3         3.00    (#   5093:1   Unique         2.49, 2.91 A)
 &rst
  ixpk= 5093, nxpk= 1, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1471,1472,
 &end
#
#    0 AMB  1-1:5095      0 AMB  1-2:5095    3.00    (#   5095:1   Double Ambig)
 &rst
  ixpk= 5095, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1205,1206,1205,1206,
 igr2=1203,1202,
 &end
#
#   44 PRO  HG-          89 GLY  HA2         3.00    (#   5097:1   Preassigned    2.35, 2.61 A)
# CHANGED TO HG2
 &rst
  ixpk= 5097, nxpk= 1, iat=  674,1325, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   81 PRO  HG-           0 AMB  1-2:5098    3.00    (#   5098:1   Single Ambig)
# CHANGED TO HG3
 &rst
  ixpk= 5098, nxpk= 1, iat=  1206,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1203,1202,
 &end
#
#   81 PRO  HG-           0 AMB  1-2:5099    3.00    (#   5099:1   Single Ambig)
# CHANGED TO HG3
 &rst
  ixpk= 5099, nxpk= 1, iat=  1206,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2=1203,1202,
 &end
#
#   40 PRO  HG+          40 PRO  HD2         3.00    (#   5100:1   Unique         2.46, 2.56 A)
# CHANGED TO HG3
 &rst
  ixpk= 5100, nxpk= 1, iat=  608, 604, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   81 PRO  HB-          81 PRO  HD2         3.00    (#   5101:1   Preassigned    2.81, 3.37 A)
# CHANGED TO HB2
 &rst
  ixpk= 5101, nxpk= 1, iat=  1208,1202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   40 PRO  HG-          40 PRO  HD2         3.00    (#   5102:1   Unique         2.46, 2.56 A)
# CHANGED TO HG2
 &rst
  ixpk= 5102, nxpk= 1, iat=  607, 604, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   17 TRP  HB+          20 ALA  HA          3.00    (#   5114:1   Preassigned    2.85, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 5114, nxpk= 1, iat=  263, 330, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   17 TRP  HB+          20 ALA  HA          4.00    (#   5115:1   Preassigned    2.85, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 5115, nxpk= 1, iat=  263, 330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   17 TRP  HB-          20 ALA  HA          4.00    (#   5128:1   Preassigned    2.85, 3.60 A)
# CHANGED TO HB2
 &rst
  ixpk= 5128, nxpk= 1, iat=  262, 330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#   21 PRO  HD+          20 ALA  HA          3.00    (#   5131:1   Preassigned    2.35, 2.83 A)
# CHANGED TO HD2
 &rst
  ixpk= 5131, nxpk= 1, iat= 339, 330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   21 PRO  HD-          20 ALA  HA          3.00    (#   5132:1   Preassigned    2.35, 2.83 A)
# CHANGED TO HD3
 &rst
  ixpk= 5132, nxpk= 1, iat=  340, 330, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   20 ALA  QB           20 ALA  HA          3.00    (#   5136:1   Preassigned    2.53, 2.73 A)
 &rst
  ixpk= 5136, nxpk= 1, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 332, 333, 334,
 &end
#
#    0 AMB  1-1:5145      0 AMB  1-2:5145    3.00    (#   5145:1   Double Ambig)
 &rst
  ixpk= 5145, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 610, 611, 801, 802,
 igr2= 605, 795, 796,
 &end
#
#   40 PRO  HG-          40 PRO  HD3         4.00    (#   5148:1   Unique         2.37, 2.76 A)
# CHANGED TO HG2
 &rst
  ixpk= 5148, nxpk= 1, iat=  607, 605, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 &end
#
#    0 AMB  1-1:5166      0 AMB  1-2:5166    3.00    (#   5166:1   Double Ambig)
 &rst
  ixpk= 5166, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 610, 611, 801, 802,
 igr2= 605, 795, 796,
 &end
#
#   10 CYS  HB+          44 PRO  HD3         4.00    (#   5202:1   Unique         2.02, 2.83 A)
# CHANGED TO HB3
 &rst
  ixpk= 5202, nxpk= 1, iat=  153, 672, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   44 PRO  HG-           0 AMB  1-2:5203    3.00    (#   5203:1   Single Ambig)
# CHANGED TO HG2 to HD2
 &rst
  ixpk= 5203, nxpk= 1, iat=  674,  671, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 &end
#
#   10 CYS  HB+          41 CYS  HB+         4.00    (#   5212:1   Preassigned    4.27, 4.78 A)
# CHANGED TO HB3
 &rst
  ixpk= 5212, nxpk= 1, iat=  153,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 621, 622,
 &end
#
#   10 CYS  HB+          41 CYS  HB+         5.00    (#   5213:1   Preassigned    4.27, 4.78 A)
# CHANGED TO HB3
 &rst
  ixpk= 5213, nxpk= 1, iat=  153,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 621, 622,
 &end
#
#    0 AMB  1-1:5215      0 AMB  1-2:5215    3.00    (#   5215:1   Double Ambig)
 &rst
  ixpk= 5215, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 674, 675, 674, 675,
 igr2= 671, 672,
 &end
#
#   44 PRO  HB-          44 PRO  HD3         4.00    (#   5217:1   Unique         3.39, 3.78 A)
# CHANGED TO HB2
 &rst
  ixpk= 5217, nxpk= 1, iat=  677, 672, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   43 ILE  QG2          44 PRO  HD2         3.00    (#   5219:1   Unique         2.51, 2.97 A)
 &rst
  ixpk= 5219, nxpk= 1, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   43 ILE  HB            0 AMB  1-2:5230    5.00    (#   5230:1   Single Ambig)
 &rst
  ixpk= 5230, nxpk= 1, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 671, 672,
 &end
#
#   20 ALA  QB           17 TRP  HB+         4.00    (#   5264:1   Preassigned    2.27, 3.60 A)
# CHANGED TO HB3
 &rst
  ixpk= 5264, nxpk= 1, iat=  -1,  263, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 332, 333, 334,
 &end
#
#   19 ARG  QG           19 ARG  QD          3.00    (#   5331:1   Preassigned    2.45, 2.82 A)
 &rst
  ixpk= 5331, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 311, 312,
 igr2= 314, 315,
 &end
#
#   19 ARG  HB-          19 ARG  QD          4.00    (#   5338:1   Preassigned    2.50, 2.98 A)
# CHANGED TO ARG HB2
 &rst
  ixpk= 5338, nxpk= 1, iat=  308,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.50,
 igr2= 314, 315,
 &end
#
#   19 ARG  HB+          19 ARG  QD          3.00    (#   5344:1   Preassigned    2.50, 2.98 A)
# CHANGED TO ARG HB3
 &rst
  ixpk= 5344, nxpk= 1, iat=  309,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2= 314, 315,
 &end
#
#   91 LEU  HG           15 PHE  HB2         4.00    (#   5373:1   Preassigned    4.61, 4.61 A)
# BIN 5.0
 &rst
  ixpk= 5373, nxpk= 1, iat=1352, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  HG           15 PHE  HB2         5.00    (#   5390:1   Preassigned    4.61, 4.61 A)
 &rst
  ixpk= 5390, nxpk= 1, iat=1352, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 LEU  QD2          15 PHE  HB2         4.00    (#   5394:1   Preassigned    2.79, 3.45 A)
 &rst
  ixpk= 5394, nxpk= 1, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   32 GLU  HG-          74 PHE  QB          4.00    (#   5413:1   Preassigned    2.74, 4.24 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 5413, nxpk= 1, iat=  496,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 5.20,
 igr2=1084,1085,
 &end
#
#   42 ARG  QB           42 ARG  QD          3.00    (#   5437:1   Unique         2.35, 3.28 A)
 &rst
  ixpk= 5437, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 631, 632,
 igr2= 637, 638,
 &end
#
#   40 PRO  HG+           7 TYR  HB+         3.00    (#   5438:1   Unique         3.46, 4.41 A)
# CHANGED TO HG3 (P40)
# CHANGED TO HB3 (Y7)
 &rst
  ixpk= 5438, nxpk= 1, iat=  608,  101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 &end
#
#   40 PRO  HG-           7 TYR  HB+         3.00    (#   5441:1   Unique         3.46, 4.41 A)
# CHANGED TO HG2 (P40)
# CHANGED TO HB3 (Y7)
 &rst
  ixpk= 5441, nxpk= 1, iat=  607,  101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 &end
#
#   46 ARG  HG-          87 TYR  HB+         3.00    (#   5442:1   Preassigned    1.97, 2.93 A)
# CHANGED TO R46 HG3
# CHANGED TO HB3
# BIN TO 3.5
 &rst
  ixpk= 5442, nxpk= 1, iat=  708,  1291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   66 THR  HG2           0 AMB  1-2:5444    4.00    (#   5444:1   Single Ambig)
 &rst
  ixpk= 5444, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 991, 992, 993,
 igr2= 100, 101, 637, 638,
 &end
#
#   83 ASP  QB            0 AMB  1-2:5476    3.00    (#   5476:1   Single Ambig)
 &rst
  ixpk= 5476, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1226,1227,
 igr2= 764, 765, 764, 765,
 &end
#
#   98 LYS  HG-          98 LYS  QE          3.00    (#   5479:1   Preassigned    2.62, 3.36 A)
# CHANGED TO HG3 and HE3
# BIN 4
 &rst
  ixpk= 5479, nxpk= 1, iat=  1489,  1495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.30,
 &end
#
#   14 LYS  HB-          37 GLY  HA-         4.00    (#   5480:1   Preassigned    3.66, 4.06 A)
# CHANGED TO LYS HB2
# CHANGED TO HA3
 &rst
  ixpk= 5480, nxpk= 1, iat=  206,  563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   78 GLN  HG3          27 ASP  HB2         5.00    (#   5503:1   Unique         4.93, 4.93 A)
 &rst
  ixpk= 5503, nxpk= 1, iat=1159, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  1-1:5515      0 AMB  1-2:5515    3.00    (#   5515:1   Double Ambig)
 &rst
  ixpk= 5515, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1491,1492, 704, 705,
 igr2=1494,1495, 711,
 &end
#
#   18 LYS  HG+          18 LYS  QE          3.00    (#   5516:1   Preassigned    3.37, 3.78 A)
# CHANGED TO HG3
 &rst
  ixpk= 5516, nxpk= 1, iat=  290,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.38,
 igr2= 295, 296,
 &end
#
#   46 ARG  HB+          46 ARG  HD3         3.00    (#   5524:1   Unique         2.60, 2.82 A)
# CHANGE TO ARG HB3
 &rst
  ixpk= 5524, nxpk= 1, iat=  705, 711, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   46 ARG  HG-          46 ARG  HD2         3.00    (#   5525:1   Unique         2.22, 2.60 A)
# CHANGED TO R46 HG3
 &rst
  ixpk= 5525, nxpk= 1, iat=  708, 710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    0 AMB  1-1:5539      0 AMB  1-2:5539    3.00    (#   5539:1   Double Ambig)
 &rst
  ixpk= 5539, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 707, 708, 292, 293,
 igr2= 710, 295, 296,
 &end
#
#   18 LYS  HG+          18 LYS  QE          3.00    (#   5540:1   Preassigned    3.37, 3.78 A)
# CHANGED TO HG3
 &rst
  ixpk= 5540, nxpk= 1, iat=  290,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2= 295, 296,
 &end
#
#   18 LYS  HG-          18 LYS  QE          4.00    (#   5541:1   Preassigned    3.37, 3.78 A)
# CHANGED TO HG2
 &rst
  ixpk= 5541, nxpk= 1, iat=  289,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 295, 296,
 &end
#
#   21 PRO  HB-          95 TRP  HB+         3.00    (#   5542:1   Unique         3.30, 4.24 A)
# CHANGED TO HB3
# CHANGED TRP 95 to HB2
 &rst
  ixpk= 5542, nxpk= 1, iat=  346,  1424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.60,
 &end
#
#   14 LYS  HG+          37 GLY  HA-         3.00    (#   5543:1   Preassigned    3.39, 4.22 A)
# CHANGED TO HA3
 &rst
  ixpk= 5543, nxpk= 1, iat=  -1,  563, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.68,
 igr1= 209, 210,
 &end
#
#   21 PRO  HG-           0 AMB  1-2:5544    3.00    (#   5544:1   Single Ambig)
# CHANGED TO HG2
 &rst
  ixpk= 5544, nxpk= 1, iat=  342,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1390,1391,1424,1425,
 &end
#
#   86 ILE  HG1-         95 TRP  HB+         3.00    (#   5555:1   Unique         2.41, 3.56 A)
# CHANGED TRP 95 to HB2
# CHANGED TO HG12
# REMOVE FOR TESTING
#&rst
# ixpk= 5555, nxpk= 1, iat=  1277,  1424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
#&end
#
#   83 ASP  QB           50 HIS  HB-         3.00    (#   5576:1   Preassigned    2.09, 3.86 A)
# CHANGED TO H50 HB2
 &rst
  ixpk= 5576, nxpk= 1, iat=  -1,  764, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr1=1226,1227,
 &end
#
#   86 ILE  QD1          95 TRP  HB+         3.00    (#   5582:1   Preassigned    2.45, 3.23 A)
# CHANGED TRP 95 to HB2
 &rst
  ixpk= 5582, nxpk= 1, iat=  -1,  1424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.00,
 igr1=1280,1281,1282,
 &end
#
#   20 ALA  QB           17 TRP  HB-         4.00    (#   5609:1   Unique         2.27, 3.60 A)
# CHANGED TO HB2
 &rst
  ixpk= 5609, nxpk= 1, iat=  -1,  262, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 332, 333, 334,
 &end
#
#   79 LEU  QD2          84 ASN  HB+         3.00    (#   5700:1   Preassigned    2.86, 4.27 A)
# CHANGED TO HB2
 &rst
  ixpk= 5700, nxpk= 1, iat=  -1,  1238, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.74,
 igr1=1181,1182,1183,
 &end
#
#   49 ALA  QB           84 ASN  HB+         4.00    (#   5709:1   Unique         3.14, 4.68 A)
# CHANGED TO HB2
# REMOVE FOR TESTING
#&rst
# ixpk= 5709, nxpk= 1, iat=  -1,  1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
#igr1= 754, 755, 756,
#&end
#
#   14 LYS  HG+          11 ASP  HB+         3.00    (#   5719:1   Unique         2.38, 3.37 A)
 &rst
  ixpk= 5719, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 209, 210,
 igr2= 162, 163,
 &end
#
#   14 LYS  HB+          11 ASP  HB+         4.00    (#   5742:1   Preassigned    2.78, 4.35 A)
# CHANGED TO HB3
 &rst
  ixpk= 5742, nxpk= 1, iat=  207,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 162, 163,
 &end
#
#   14 LYS  HB+          11 ASP  HB+         4.00    (#   5743:1   Preassigned    2.78, 4.35 A)
# CHANGED TO LYS HB3
 &rst
  ixpk= 5743, nxpk= 1, iat=  207,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 162, 163,
 &end
#
#   21 PRO  HB+          95 TRP  HB-         4.00    (#   5745:1   Unique         3.30, 4.24 A)
# CHANGED TO HB2 P21
# CHANGED TO HB3 W95
 &rst
  ixpk= 5745, nxpk= 1, iat=  345,  1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   14 LYS  QD           14 LYS  QE          3.00    (#   5746:1   Preassigned    2.36, 2.63 A)
 &rst
  ixpk= 5746, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 212, 213,
 igr2= 215, 216,
 &end
#
#   40 PRO  HG-           7 TYR  HB-         4.00    (#   5771:1   Unique         3.46, 4.41 A)
# CHANGED TO HG2 (P40)
# CHANGED TO HB2 (Y7)
 &rst
  ixpk= 5771, nxpk= 1, iat=  607,  100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.54,
 &end
#
#   86 ILE  HG1+         95 TRP  HB-         4.00    (#   5784:1   Preassigned    2.41, 3.56 A)
# CHANGED TO HB3
 &rst
  ixpk= 5784, nxpk= 1, iat=  1278,  1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   86 ILE  QD1          95 TRP  HB-         3.00    (#   5785:1   Preassigned    2.45, 3.23 A)
# CHANGED TO HB3
 &rst
  ixpk= 5785, nxpk= 1, iat=  -1,  1425, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1280,1281,1282,
 &end
#
#   86 ILE  HB           93 HIS  HB-         4.00    (#   5812:1   Preassigned    3.10, 3.91 A)
# CHANGED TO HB3
 &rst
  ixpk= 5812, nxpk= 1, iat=1271,  1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG+          93 HIS  HB-         4.00    (#   5813:1   Preassigned    2.47, 3.62 A)
# CHANGED TO HG3
# CHANGED TO HB3 (HIS)
 &rst
  ixpk= 5813, nxpk= 1, iat=  343,  1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG+          93 HIS  HB-         4.00    (#   5814:1   Preassigned    2.47, 3.62 A)
# CHANGED TO HG3
# CHANGED TO HB3 (HIS)
 &rst
  ixpk= 5814, nxpk= 1, iat=  343,  1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HD-          93 HIS  HB-         4.00    (#   5827:1   Unique         2.77, 2.97 A)
# CHANGED TO HD3
# CHANGED TO HB3
 &rst
  ixpk= 5827, nxpk= 1, iat=  340,  1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.40,
 &end
#
#   14 LYS  HB-          11 ASP  HB-         3.00    (#   5829:1   Preassigned    2.78, 4.35 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 5829, nxpk= 1, iat=  206,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2= 162, 163,
 &end
#
#   14 LYS  HG+          11 ASP  HB-         4.00    (#   5830:1   Preassigned    2.38, 3.37 A)
 &rst
  ixpk= 5830, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 209, 210,
 igr2= 162, 163,
 &end
#
#   14 LYS  HG+          11 ASP  HB-         4.00    (#   5831:1   Preassigned    2.38, 3.37 A)
 &rst
  ixpk= 5831, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 209, 210,
 igr2= 162, 163,
 &end
#
#   91 LEU  QB           15 PHE  HB3         4.00    (#   5847:1   Preassigned    3.48, 3.73 A)
 &rst
  ixpk= 5847, nxpk= 1, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1349,1350,
 &end
#
#   14 LYS  HB-          11 ASP  HB-         3.00    (#   5848:1   Preassigned    2.78, 4.35 A)
# CHANGED TO LYS HB2
 &rst
  ixpk= 5848, nxpk= 1, iat=  206,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2= 162, 163,
 &end
#
#   33 VAL  QG1          15 PHE  HB3         4.00    (#   5849:1   Preassigned    3.64, 4.38 A)
 &rst
  ixpk= 5849, nxpk= 1, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 509, 510, 511,
 &end
#
#   91 LEU  QD2          15 PHE  HB3         4.00    (#   5851:1   Preassigned    2.19, 2.85 A)
 &rst
  ixpk= 5851, nxpk= 1, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   63 PRO  HB-          64 ASN  HB+         3.00    (#   5870:1   Preassigned    3.38, 4.29 A)
# CHANGED TO HB2 (P63)
# CHANGED TO HB3 (N64)
 &rst
  ixpk= 5870, nxpk= 1, iat=  950,  962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   46 ARG  HB-          56 ASP  HB-         5.00    (#   5907:1   Preassigned    3.03, 4.27 A)
# CHANGE TO ARG HB2
# CHANGED TO D56 HB3
 &rst
  ixpk= 5907, nxpk= 1, iat=  704,  841, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 &end
#
#   46 ARG  HB-          56 ASP  HB-         4.00    (#   5908:1   Preassigned    3.03, 4.27 A)
# CHANGE TO ARG HB2
# CHANGED TO D56 HB3
 &rst
  ixpk= 5908, nxpk= 1, iat=  704,  841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HB+          56 ASP  HB-         4.00    (#   5944:1   Preassigned    3.03, 4.27 A)
# CHANGE TO ARG HB3
# CHANGED TO D56 HB3
 &rst
  ixpk= 5944, nxpk= 1, iat=  705,  841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   46 ARG  HG+          87 TYR  HB-         3.00    (#   5945:1   Preassigned    1.97, 2.93 A)
# CHANGED TO R46 HG2
# CHANGED TO HB2
 &rst
  ixpk= 5945, nxpk= 1, iat=  707,  1290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   46 ARG  HG-          87 TYR  HB-         3.00    (#   5947:1   Preassigned    1.97, 2.93 A)
# CHANGED TO R46 HG3
# CHANGED TO HB2
 &rst
  ixpk= 5947, nxpk= 1, iat=  708,1290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   31 MET  HB-          31 MET  HG+         4.00    (#   6020:1   Preassigned    2.51, 2.76 A)
# CHANGED TO MET 31 HB3
 &rst
  ixpk= 6020, nxpk= 1, iat=  476,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 478, 479,
 &end
#
#   75 ILE  HG1+         31 MET  HG+         3.00    (#   6021:1   Preassigned    3.48, 4.16 A)
# CHANGE TO HG13
# CHANGED TO MET HG2
 &rst
  ixpk= 6021, nxpk= 1, iat=  1111,  478, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 &end
#
#   75 ILE  HB           31 MET  HG+         3.00    (#   6022:1   Preassigned    1.96, 2.09 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 6022, nxpk= 1, iat=1104,  478, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.00,
 &end
#
#   75 ILE  QD1          31 MET  HG+         3.00    (#   6025:1   Preassigned    2.49, 3.87 A)
# CHANGED TO MET HG2
 &rst
  ixpk= 6025, nxpk= 1, iat=  -1,  478, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1113,1114,1115,
 &end
#
#   33 VAL  QG1          33 VAL  HB          3.00    (#   6026:1   Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 6026, nxpk= 1, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 509, 510, 511,
 &end
#
#   31 MET  HB+          31 MET  HG+         3.00    (#   6033:1   Preassigned    2.51, 2.76 A)
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 6033, nxpk= 1, iat=  475,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.40,
 igr2= 478, 479,
 &end
#
#    0 AMB  1-1:6082      0 AMB  1-2:6082    3.00    (#   6082:1   Double Ambig)
 &rst
  ixpk= 6082, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 513, 514, 515, 744, 745, 746,
 igr2= 507, 738,
 &end
#
#   33 VAL  QG1          33 VAL  HB          3.00    (#   6083:1   Preassigned    2.33, 2.63 A)
 &rst
  ixpk= 6083, nxpk= 1, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 509, 510, 511,
 &end
#
#   48 VAL  QG2          48 VAL  HB          3.00    (#   6110:1   Preassigned    2.36, 2.64 A)
 &rst
  ixpk= 6110, nxpk= 1, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#   49 ALA  QB           57 VAL  HB          3.00    (#   6122:1   Unique         4.05, 4.81 A)
# BIN Methyl 3.6 up to 4.0
 &rst
  ixpk= 6122, nxpk= 1, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.50,
 igr1= 754, 755, 756,
 &end
#
#   59 MET  HB+          59 MET  QG          3.00    (#   6129:1   Preassigned    2.57, 2.85 A)
# CHANGED TO MET59 HB3 to M59 HG2
 &rst
  ixpk= 6129, nxpk= 1, iat=  879,  881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#    0 AMB  1-1:6133      0 AMB  1-2:6133    3.00    (#   6133:1   Double Ambig)
 &rst
  ixpk= 6133, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 740, 741, 742, 854, 855, 856,
 igr2= 738, 852,
 &end
#
#   57 VAL  QG2          57 VAL  HB          3.00    (#   6136:1   Preassigned    2.50, 2.70 A)
 &rst
  ixpk= 6136, nxpk= 1, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 858, 859, 860,
 &end
#
#    0 AMB  1-1:6167      0 AMB  1-2:6167    3.00    (#   6167:1   Double Ambig)
 &rst
  ixpk= 6167, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1155,1156,1155,1156,
 igr2=1158,1159,
 &end
#
#   78 GLN  HB-           0 AMB  1-2:6170    3.00    (#   6170:1   Single Ambig)
# CHANGED TO HB2
 &rst
  ixpk= 6170, nxpk= 1, iat=  1155,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.78,
 igr2=1158,1159,
 &end
#
#   78 GLN  HB-           0 AMB  1-2:6171    3.00    (#   6171:1   Single Ambig)
# CHANGED TO HB2
 &rst
  ixpk= 6171, nxpk= 1, iat=  1155, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.78,
 igr2=1158,1159,
 &end
#
#   49 ALA  QB           84 ASN  HB-         4.00    (#   6172:1   Unique         3.14, 4.68 A)
# CHANGED TO HB3
 &rst
  ixpk= 6172, nxpk= 1, iat=  -1,  1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 754, 755, 756,
 &end
#
#   21 PRO  HB-          31 MET  HB+         4.00    (#   6173:1   Unique         3.33, 4.57 A)
# CHANGED TO HB3
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 6173, nxpk= 1, iat=  346,  475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   39 LYS  HB+          69 ASN  HB-         4.00    (#   6177:1   Preassigned    2.54, 3.61 A)
# CHANGED TO LYS39 HB2
# CHANGED TO ASN69 HB3
 &rst
  ixpk= 6177, nxpk= 1, iat=  585, 1036, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG+          31 MET  HB+         4.00    (#   6178:1   Unique         2.44, 3.73 A)
# CHANGED TO HG3
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 6178, nxpk= 1, iat=  343,  475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   21 PRO  HG+          31 MET  HB+         3.00    (#   6181:1   Unique         2.44, 3.73 A)
# CHANGED TO HG3
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 6181, nxpk= 1, iat=  343,  475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   79 LEU  HB+          97 GLN  QG          3.00    (#   6194:1   Preassigned    2.35, 3.25 A)
# CHANGED TO HB2
 &rst
  ixpk= 6194, nxpk= 1, iat=  1172,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2=1471,1472,
 &end
#
#   79 LEU  HB-          97 GLN  QG          4.00    (#   6195:1   Preassigned    2.35, 3.25 A)
# CHANGED TO HB3
 &rst
  ixpk= 6195, nxpk= 1, iat=  1173,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,
 igr2=1471,1472,
 &end
#
#   21 PRO  HG+          31 MET  HB+         4.00    (#   6210:1   Unique         2.44, 3.73 A)
# CHANGED TO HG3
# CHANGED TO MET 31 HB2
 &rst
  ixpk= 6210, nxpk= 1, iat=  343,  475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#   57 VAL  QG2          84 ASN  HB-         3.00    (#   6212:1   Unique         2.96, 3.49 A)
# CHANGED TO HB3
 &rst
  ixpk= 6212, nxpk= 1, iat=  -1,  1239, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 858, 859, 860,
 &end
#
#   79 LEU  QD2          84 ASN  HB-         3.00    (#   6213:1   Preassigned    2.86, 4.27 A)
# CHANGED TO HB3
 &rst
  ixpk= 6213, nxpk= 1, iat=  -1,  1239, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1181,1182,1183,
 &end
#
#    0 AMB  1-1:6236      0 AMB  1-2:6236    3.00    (#   6236:1   Double Ambig)
 &rst
  ixpk= 6236, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1468,1469,1020,1021,
 igr2=1471,1472,1023,1024,
 &end
#
#   31 MET  HG-          31 MET  HB+         3.00    (#   6250:1   Preassigned    2.51, 2.76 A)
# CHANGED TO MET 31 HB2
# CHANGED TO MET HG3
 &rst
  ixpk= 6250, nxpk= 1, iat=  479,  475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   32 GLU  HG-          32 GLU  QB          3.00    (#   6252:1   Preassigned    2.18, 2.62 A)
# CHANGED TO GLU32 HG3
 &rst
  ixpk= 6252, nxpk= 1, iat=  496,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr2= 492, 493,
 &end
#
#   97 GLN  HB+          97 GLN  QG          3.00    (#   6272:1   Preassigned    2.44, 2.61 A)
# CHANGED TO HB2
 &rst
  ixpk= 6272, nxpk= 1, iat=  1468,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2=1471,1472,
 &end
#
#   48 VAL  QG2          53 PRO  HB+         5.00    (#   6274:1   Preassigned    3.93, 4.82 A)
 &rst
  ixpk= 6274, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 744, 745, 746,
 igr2= 801, 802,
 &end
#
#   48 VAL  QG2          53 PRO  HB+         3.00    (#   6275:1   Preassigned    3.93, 4.82 A)
 &rst
  ixpk= 6275, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 744, 745, 746,
 igr2= 801, 802,
 &end
#
#   68 GLU  QB           68 GLU  HG-         3.00    (#   6324:1   Preassigned    2.46, 2.67 A)
# CHANGED TO HG2 (E68)
 &rst
  ixpk= 6324, nxpk= 1, iat=  -1,  1023, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.68,
 igr1=1020,1021,
 &end
#
#   12 LYS  QG           44 PRO  HG+         3.00    (#   6355:1   Preassigned    2.86, 4.13 A)
# CHANGED TO HG3
 &rst
  ixpk= 6355, nxpk= 1, iat=  -1,  675, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr1= 177, 178,
 &end
#
#   61 ILE  HB           76 GLU  QG          3.00    (#   6357:1   Preassigned    2.34, 3.06 A)
 &rst
  ixpk= 6357, nxpk= 1, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1126,1127,
 &end
#
#   43 ILE  HG1-         67 MET  HB2         3.00    (#   6363:1   Preassigned    2.51, 2.69 A)
# CHANGE TO HG12	
 &rst
  ixpk= 6363, nxpk= 1, iat=  661,1003, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 661, 662,
 &end
#
#   43 ILE  QD1          67 MET  HB2         3.00    (#   6364:1   Unique         2.88, 3.61 A)
 &rst
  ixpk= 6364, nxpk= 1, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 664, 665, 666,
 &end
#
#   30 VAL  QG1          76 GLU  QG          3.00    (#   6383:1   Preassigned    2.16, 3.37 A)
 &rst
  ixpk= 6383, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 461, 462, 463,
 igr2=1126,1127,
 &end
#
#   28 THR  HG2          76 GLU  QG          4.00    (#   6409:1   Preassigned    3.90, 4.99 A)
 &rst
  ixpk= 6409, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 431, 432, 433,
 igr2=1126,1127,
 &end
#
#   33 VAL  QG2          67 MET  QG          3.00    (#   6410:1   Unique         3.04, 3.95 A)
 &rst
  ixpk= 6410, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 513, 514, 515,
 igr2=1006,1007,
 &end
#
#   33 VAL  QG2          67 MET  QG          3.00    (#   6442:1   Unique         3.04, 3.95 A)
 &rst
  ixpk= 6442, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 513, 514, 515,
 igr2=1006,1007,
 &end
#
#   43 ILE  QD1          65 PRO  QB          3.00    (#   6443:1   Preassigned    2.71, 4.41 A)
 &rst
  ixpk= 6443, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 664, 665, 666,
 igr2= 978, 979,
 &end
#
#   44 PRO  HG-          10 CYS  HB-         3.00    (#   6462:1   Preassigned    3.16, 4.39 A)
# CHANGED TO HB2
# BIN 3.3
 &rst
  ixpk= 6462, nxpk= 1, iat=  -1,  152, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.70,
 igr1= 674, 675,
 &end
#
#   43 ILE  HB           65 PRO  QB          3.00    (#   6463:1   Preassigned    2.45, 3.36 A)
 &rst
  ixpk= 6463, nxpk= 1, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 978, 979,
 &end
#
#    0 AMB  1-1:6465      0 AMB  1-2:6465    3.00    (#   6465:1   Double Ambig)
 &rst
  ixpk= 6465, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1177,1178,1179, 661, 662,
 igr2=1141,1142,1006,1007,
 &end
#
#   31 MET  HB-          31 MET  HG-         3.00    (#   6476:1   Preassigned    2.51, 2.76 A)
# CHANGED TO MET 31 HB3
# CHANGED TO MET 31 HG3
 &rst
  ixpk= 6476, nxpk= 1, iat=  476,  479, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   43 ILE  HB           65 PRO  QB          3.00    (#   6477:1   Preassigned    2.45, 3.36 A)
 &rst
  ixpk= 6477, nxpk= 1, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 978, 979,
 &end
#
#   75 ILE  HB           31 MET  HG-         3.00    (#   6478:1   Preassigned    1.96, 2.09 A)
# CHANGED TO MET HG3
# BIN 3.2
 &rst
  ixpk= 6478, nxpk= 1, iat=1104,  479, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.40,
 &end
#
#   75 ILE  QD1          31 MET  HG-         3.00    (#   6479:1   Preassigned    2.49, 3.87 A)
# CHANGED TO MET HG3
 &rst
  ixpk= 6479, nxpk= 1, iat=  -1,  479, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=1113,1114,1115,
 &end
#
#   28 THR  HG2          78 GLN  HB+         3.00    (#   6490:1   Preassigned    2.32, 3.92 A)
# CHANGED TO HB3
# REMOVE FOR TESTING
#&rst
# ixpk= 6490, nxpk= 1, iat=  -1,  1156, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.80,
#igr1= 431, 432, 433,
#&end
#
#   61 ILE  QD1          78 GLN  HB+         3.00    (#   6492:1   Preassigned    2.46, 3.78 A)
# CHANGED TO HB3
 &rst
  ixpk= 6492, nxpk= 1, iat=  -1,  1156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 923, 924, 925,
 &end
#
#   77 MET  HB-          77 MET  HG+         3.00    (#   6508:1   Preassigned    2.28, 2.76 A)
# CHANGED TO HB2
 &rst
  ixpk= 6508, nxpk= 1, iat=  1138,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr2=1141,1142,
 &end
#
#   98 LYS  HG-          81 PRO  HG+         3.00    (#   6510:1   Unique         3.05, 3.50 A)
# CHANGED TO 98 HG3
# CHANGED TO 81 HG3
# BIN 3.2
#&rst
# ixpk= 6510, nxpk= 1, iat=  1489,  1206, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.50,
#&end
#
#   79 LEU  HG           77 MET  HG+         5.00    (#   6514:1   Preassigned    3.94, 4.58 A)
# CHANGED TO HG2
# REMOVED
#&rst
# ixpk= 6514, nxpk= 1, iat=1175,  1141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
#&end
#
#   79 LEU  QD1          77 MET  HG+         3.00    (#   6517:1   Preassigned    3.07, 4.31 A)
# CHANGED TO HG2
# BIN 4 Methyl
 &rst
  ixpk= 6517, nxpk= 1, iat=  -1,  1141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.370
 igr1=1177,1178,1179,
 &end
#
#   29 VAL  QG1          77 MET  HG+         4.00    (#   6520:1   Preassigned    3.83, 4.89 A)
# CHANGED TO HG2
 &rst
  ixpk= 6520, nxpk= 1, iat=  -1,  1142, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,
 igr1= 445, 446, 447,
 &end
#
#   48 VAL  QG2          53 PRO  HB-         4.00    (#   6532:1   Preassigned    3.93, 4.82 A)
 &rst
  ixpk= 6532, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 744, 745, 746,
 igr2= 801, 802,
 &end
#
#    0 AMB  1-1:6592      0 AMB  1-2:6592    3.00    (#   6592:1   Double Ambig)
 &rst
  ixpk= 6592, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 826, 827, 828, 830, 831, 832, 461, 462, 463,
 igr2= 824, 459,
 &end
#
#   30 VAL  QG1          30 VAL  HB          3.00    (#   6643:1   Preassigned    2.47, 2.77 A)
 &rst
  ixpk= 6643, nxpk= 1, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 461, 462, 463,
 &end
#
#   30 VAL  QG2          30 VAL  HB          3.00    (#   6647:1   Preassigned    2.35, 2.67 A)
 &rst
  ixpk= 6647, nxpk= 1, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 465, 466, 467,
 &end
#
#   60 LEU  HG           77 MET  HB+         3.00    (#   6682:1   Preassigned    2.91, 3.33 A)
# CHANGED TO HB3
# BIN to 3.5
 &rst
  ixpk= 6682, nxpk= 1, iat= 898,  1138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,
 &end
#
#   43 ILE  HG1-         67 MET  HB3         3.00    (#   6734:1   Preassigned    4.21, 4.41 A)
#  CHANGE TO I43 HG12 to M67 HB2
 &rst
  ixpk= 6734, nxpk= 1, iat=  661,1003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 3.80,  &end
#
#   28 THR  HG2          78 GLN  HB-         4.00    (#   6760:1   Preassigned    2.32, 3.92 A)
# CHANGED TO HB2
 &rst
  ixpk= 6760, nxpk= 1, iat=  -1,  1155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.89,
 igr1= 431, 432, 433,
 &end
#
#    0 AMB  1-1:6782      0 AMB  1-2:6782    3.00    (#   6782:1   Double Ambig)
 &rst
  ixpk= 6782, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 914,1488,1489,
 igr2=1123,1124,1485,1486,
 &end
#
#   46 ARG  HG-          46 ARG  HB+         3.00    (#   6787:1   Preassigned    2.31, 2.66 A)
# CHANGE TO ARG HB3
 &rst
  ixpk= 6787, nxpk= 1, iat=  -1,  705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr1= 707, 708,
 &end
#
#   61 ILE  QD1          78 GLN  HB-         3.00    (#   6791:1   Preassigned    2.46, 3.78 A)
# CHANGED TO HB2
 &rst
  ixpk= 6791, nxpk= 1, iat=  -1,  1155, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.84,
 igr1= 923, 924, 925,
 &end
#
#    0 AMB  1-1:6817      0 AMB  1-2:6817    3.00    (#   6817:1   Double Ambig)
 &rst
  ixpk= 6817, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 914,1488,1489,
 igr2=1123,1124,1485,1486,
 &end
#
#   62 THR  HG2          76 GLU  QB          3.00    (#   6819:1   Unique         3.32, 4.39 A)
 &rst
  ixpk= 6819, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 935, 936, 937,
 igr2=1123,1124,
 &end
#
#   61 ILE  QG2          76 GLU  QB          3.00    (#   6820:1   Preassigned    2.61, 4.13 A)
 &rst
  ixpk= 6820, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 916, 917, 918,
 igr2=1123,1124,
 &end
#
#   30 VAL  QG1          76 GLU  QB          3.00    (#   6821:1   Preassigned    2.10, 3.71 A)
 &rst
  ixpk= 6821, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 461, 462, 463,
 igr2=1123,1124,
 &end
#
#    0 AMB  1-1:6877      0 AMB  1-2:6877    3.00    (#   6877:1   Double Ambig)
 &rst
  ixpk= 6877, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 311, 312,1277,1278,
 igr2= 308, 309,1271,
 &end
#
#   77 MET  HB-          77 MET  HG-         3.00    (#   6893:1   Preassigned    2.28, 2.76 A)
# CHANGED TO HB2
 &rst
  ixpk= 6893, nxpk= 1, iat=  1138,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr2=1141,1142,
 &end
#
#   21 PRO  HG-          86 ILE  HB          3.00    (#   6896:1   Preassigned    3.12, 3.43 A)
# CHANGED TO HG2
 &rst
  ixpk= 6896, nxpk= 1, iat=  342,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 &end
#
#   79 LEU  QD1          77 MET  HG-         3.00    (#   6897:1   Preassigned    3.07, 4.31 A)
 &rst
  ixpk= 6897, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1177,1178,1179,
 igr2=1141,1142,
 &end
#
#   29 VAL  QG1          77 MET  HG-         4.00    (#   6920:1   Preassigned    3.83, 4.89 A)
 &rst
  ixpk= 6920, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 445, 446, 447,
 igr2=1141,1142,
 &end
#
#   86 ILE  QD1          86 ILE  HB          3.00    (#   6923:1   Preassigned    2.39, 3.10 A)
 &rst
  ixpk= 6923, nxpk= 1, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1280,1281,1282,
 &end
#
#   48 VAL  QG1          46 ARG  HB-         3.00    (#   6964:1   Unique         3.88, 4.93 A)
# CHANGE TO ARG HB2
 &rst
  ixpk= 6964, nxpk= 1, iat=  -1,  704, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          85 ILE  HB          3.00    (#   6965:1   Preassigned    2.32, 2.85 A)
 &rst
  ixpk= 6965, nxpk= 1, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 744, 745, 746,
 &end
#
#   45 VAL  QG1          45 VAL  HB          3.00    (#   6968:1   Preassigned    2.33, 2.65 A)
 &rst
  ixpk= 6968, nxpk= 1, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 690, 691, 692,
 &end
#
#   45 VAL  QG2          45 VAL  HB          3.00    (#   6969:1   Unique         2.47, 2.71 A)
 &rst
  ixpk= 6969, nxpk= 1, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 694, 695, 696,
 &end
#
#   75 ILE  QD1          45 VAL  HB          3.00    (#   6971:1   Unique         4.08, 4.69 A)
 &rst
  ixpk= 6971, nxpk= 1, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1113,1114,1115,
 &end
#
#   85 ILE  QG2          85 ILE  HB          3.00    (#   6972:1   Preassigned    2.43, 2.63 A)
 &rst
  ixpk= 6972, nxpk= 1, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   98 LYS  HG-          98 LYS  QD          3.00    (#   6990:1   Unique         2.26, 2.71 A)
# CHANGED TO HG3
 &rst
  ixpk= 6990, nxpk= 1, iat=  1489,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2=1491,1492,
 &end
#
#   58 ALA  QB           60 LEU  HG          3.00    (#   6992:1   Preassigned    3.24, 4.05 A)
 &rst
  ixpk= 6992, nxpk= 1, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
#
#   46 ARG  HG+          46 ARG  HB-         3.00    (#   7015:1   Preassigned    2.31, 2.66 A)
# CHANGE TO ARG HB2
 &rst
  ixpk= 7015, nxpk= 1, iat=  -1,  704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr1= 707, 708,
 &end
#
#   98 LYS  HG+          98 LYS  QD          3.00    (#   7016:1   Unique         2.26, 2.71 A)
# CHANGED TO LYS HG2
 &rst
  ixpk= 7016, nxpk= 1, iat=  1488,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 igr2=1491,1492,
 &end
#
#   21 PRO  HB-          31 MET  HB-         4.00    (#   7052:1   Unique         3.33, 4.57 A)
# CHANGED TO HB3
 &rst
  ixpk= 7052, nxpk= 1, iat=  346,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 475, 476,
 &end
#
#   79 LEU  QD2          86 ILE  HG1+        3.00    (#   7067:1   Preassigned    3.49, 4.53 A)
# CHANGED TO HG13
# REMOVE FOR TESTING
#&rst
# ixpk= 7067, nxpk= 1, iat=  -1,  1278, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.04,
#igr1=1181,1182,1183,
#&end
#
#   86 ILE  QD1          86 ILE  HG1+        3.00    (#   7068:1   Preassigned    2.37, 2.69 A)
# CHANGED TO HG13
 &rst
  ixpk= 7068, nxpk= 1, iat=  -1,  1278, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1280,1281,1282,
 &end
#
#   85 ILE  QG2          92 LYS  HD2         3.00    (#   7079:1   Preassigned    3.52, 3.80 A)
# BIN Methyl 3.6 to 4.0
 &rst
  ixpk= 7079, nxpk= 1, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1254,1255,1256,
 &end
#
#    6 THR  HG2           5 LEU  HB+         3.00    (#   7155:1   Preassigned    2.93, 4.89 A)
 &rst
  ixpk= 7155, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  88,  89,  90,
 igr2=  67,  68,
 &end
#
#   18 LYS  HG+          18 LYS  QB          3.00    (#   7178:1   Preassigned    2.21, 2.66 A)
# CHANGED TO HG3
 &rst
  ixpk= 7178, nxpk= 1, iat=  290,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.78,
 igr2= 286, 287,
 &end
#
#    0 AMB  1-1:7182      0 AMB  1-2:7182    3.00    (#   7182:1   Double Ambig)
 &rst
  ixpk= 7182, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1372,1371,
 igr2=1368,1369,1368,1369,
 &end
#
#   33 VAL  QG2          43 ILE  HG1+        3.00    (#   7184:1   Unique         3.87, 4.74 A)
# CHANGE TO HG13
# REMOVE BAD POSSIBLE ASSIGNENT
#&rst
# ixpk= 7184, nxpk= 1, iat=  -1,  662, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.54,
#igr1= 513, 514, 515,
#&end
#
#    5 LEU  QD2           0 AMB  1-2:7185    3.00    (#   7185:1   Single Ambig)
 &rst
  ixpk= 7185, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=  76,  77,  78,
 igr2=  67,  68,  70,
 &end
#
#   85 ILE  QG2          92 LYS  HB+         4.00    (#   7189:1   Preassigned    2.17, 3.11 A)
# CHANGED TO HB3
 &rst
  ixpk= 7189, nxpk= 1, iat=  -1,  1369, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1254,1255,1256,
 &end
#
#   61 ILE  QG2          61 ILE  HB          3.00    (#   7230:1   Preassigned    2.47, 2.74 A)
 &rst
  ixpk= 7230, nxpk= 1, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 916, 917, 918,
 &end
#
#   91 LEU  HG           91 LEU  QB          3.00    (#   7235:1   Preassigned    2.63, 2.82 A)
 &rst
  ixpk= 7235, nxpk= 1, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1349,1350,
 &end
#
#   61 ILE  HG12         61 ILE  HB          3.00    (#   7284:1   Unique         2.07, 2.07 A)
 &rst
  ixpk= 7284, nxpk= 1, iat= 920, 914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 LEU  HG           91 LEU  QB          3.00    (#   7285:1   Preassigned    2.63, 2.82 A)
 &rst
  ixpk= 7285, nxpk= 1, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1349,1350,
 &end
#
#   75 ILE  QD1          75 ILE  HG1+        3.00    (#   7288:1   Unique         2.12, 2.52 A)
# CHANGE TO HG13
 &rst
  ixpk= 7288, nxpk= 1, iat=  -1,  1111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.00,
 igr1=1113,1114,1115,
 &end
#
#   86 ILE  QD1          21 PRO  HB+         3.00    (#   7289:1   Unique         3.29, 4.35 A)
# CHANGED TO HB2
 &rst
  ixpk= 7289, nxpk= 1, iat=  -1,  345, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1280,1281,1282,
 &end
#
#   29 VAL  QG2          79 LEU  HB+         3.00    (#   7290:1   Preassigned    3.44, 4.98 A)
# CHANGED TO HB2
 &rst
  ixpk= 7290, nxpk= 1, iat=  -1,  1172, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.70,
 igr1= 449, 450, 451,
 &end
#
#   91 LEU  QD1          91 LEU  QB          3.00    (#   7291:1   Preassigned    2.29, 3.48 A)
 &rst
  ixpk= 7291, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1354,1355,1356,
 igr2=1349,1350,
 &end
#
#   29 VAL  QG1          21 PRO  HB+         3.00    (#   7292:1   Unique         2.21, 3.11 A)
# CHANGED TO HB2
 &rst
  ixpk= 7292, nxpk= 1, iat=  -1,  345, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 445, 446, 447,
 &end
#
#   91 LEU  HG           91 LEU  QB          3.00    (#   7311:1   Preassigned    2.63, 2.82 A)
 &rst
  ixpk= 7311, nxpk= 1, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1349,1350,
 &end
#
#    0 AMB  1-1:7314      0 AMB  1-2:7314    3.00    (#   7314:1   Double Ambig)
 &rst
  ixpk= 7314, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 661, 662,1177,1178,1179,
 igr2= 655,1172,1173,
 &end
#
#   91 LEU  QD2          91 LEU  QB          3.00    (#   7315:1   Preassigned    2.28, 3.14 A)
 &rst
  ixpk= 7315, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1358,1359,1360,
 igr2=1349,1350,
 &end
#
#   57 VAL  QG1          49 ALA  QB          3.00    (#   7342:1   Preassigned    2.38, 3.44 A)
 &rst
  ixpk= 7342, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 854, 855, 856,
 igr2= 754, 755, 756,
 &end
#
#   43 ILE  QG2          43 ILE  HB          3.00    (#   7345:1   Preassigned    2.30, 2.68 A)
 &rst
  ixpk= 7345, nxpk= 1, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 657, 658, 659,
 &end
#
#   45 VAL  QG2          43 ILE  HB          3.00    (#   7354:1   Unique         2.92, 3.29 A)
 &rst
  ixpk= 7354, nxpk= 1, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 694, 695, 696,
 &end
#
#    0 AMB  1-1:7389      0 AMB  1-2:7389    3.00    (#   7389:1   Double Ambig)
 &rst
  ixpk= 7389, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 345, 346, 431, 432, 433,
 igr2= 342, 343, 921,
 &end
#
#   61 ILE  QG2          61 ILE  HG13        3.00    (#   7411:1   Preassigned    2.42, 3.20 A)
 &rst
  ixpk= 7411, nxpk= 1, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 916, 917, 918,
 &end
#
#   86 ILE  QD1          21 PRO  HG+         3.00    (#   7414:1   Preassigned    2.63, 3.83 A)
# CHANGED TO HG3
 &rst
  ixpk= 7414, nxpk= 1, iat=  -1,  343, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1280,1281,1282,
 &end
#
#   29 VAL  QG1          21 PRO  HG+         4.00    (#   7415:1   Preassigned    3.90, 4.63 A)
# CHANGED TO HG3
 &rst
  ixpk= 7415, nxpk= 1, iat=  -1,  343, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 445, 446, 447,
 &end
#
#   47 ALA  QB           58 ALA  QB          3.00    (#   7437:1   Preassigned    2.33, 3.95 A)
 &rst
  ixpk= 7437, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 728, 729, 730,
 igr2= 868, 869, 870,
 &end
#
#   20 ALA  QB           21 PRO  HD+         3.00    (#   7441:1   Preassigned    2.44, 3.58 A)
#CHANGE TO HD2
 &rst
  ixpk= 7441, nxpk= 1, iat=  -1,  339, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 332, 333, 334,
 &end
#
#   48 VAL  QG1          46 ARG  HG-         3.00    (#   7502:1   Unique         2.74, 4.36 A)
# CHANGED TO R46 HG3
 &rst
  ixpk= 7502, nxpk= 1, iat=  -1,  708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.54,
 igr1= 740, 741, 742,
 &end
#
#   55 VAL  QQG          52 ALA  QB          3.00    (#   7504:1   Unique         3.16, 4.98 A)
 &rst
  ixpk= 7504, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 826, 827, 828, 830, 831, 832,
 igr2= 788, 789, 790,
 &end
#
#   79 LEU  HG           79 LEU  HB-         3.00    (#   7519:1   Preassigned    2.76, 2.96 A)
# CHANGED TO HB3
 &rst
  ixpk= 7519, nxpk= 1, iat= 1175, 1173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.30,
 &end
#
#   29 VAL  QG2          79 LEU  HB-         4.00    (#   7521:1   Preassigned    3.44, 4.98 A)
# CHANGED TO HB3
 &rst
  ixpk= 7521, nxpk= 1, iat=  -1,  1173, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,
 igr1= 449, 450, 451,
 &end
#
#    0 AMB  1-1:7530      0 AMB  1-2:7530    3.00    (#   7530:1   Double Ambig)
 &rst
  ixpk= 7530, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1110,1111,1181,1182,1183,
 igr2=1104,1172,1173,
 &end
#
#   20 ALA  QB           21 PRO  HD-         3.00    (#   7552:1   Unique         2.44, 3.58 A)
# CHANGED TO P21 HD3
 &rst
  ixpk= 7552, nxpk= 1, iat=  -1,  340, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 332, 333, 334,
 &end
#
#   88 VAL  QG2          88 VAL  HB          3.00    (#   7564:1   Preassigned    2.56, 2.75 A)
 &rst
  ixpk= 7564, nxpk= 1, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1317,1318,1319,
 &end
#
#   29 VAL  QG2          79 LEU  HB-         4.00    (#   7566:1   Preassigned    3.44, 4.98 A)
# CHANGED TO HB3
 &rst
  ixpk= 7566, nxpk= 1, iat=  -1,  1173, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.80,
 igr1= 449, 450, 451,
 &end
#
#   91 LEU  QD2          88 VAL  HB          4.00    (#   7568:1   Preassigned    2.26, 3.28 A)
 &rst
  ixpk= 7568, nxpk= 1, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1358,1359,1360,
 &end
#
#   86 ILE  HG1-         47 ALA  QB          3.00    (#   7605:1   Preassigned    2.07, 3.22 A)
# CHANGED TO HG12
 &rst
  ixpk= 7605, nxpk= 1, iat=  1277,  -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 4.04,
 igr2= 728, 729, 730,
 &end
#
#   79 LEU  QD1          47 ALA  QB          3.00    (#   7607:1   Preassigned    3.27, 4.32 A)
 &rst
  ixpk= 7607, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1177,1178,1179,
 igr2= 728, 729, 730,
 &end
#
#   57 VAL  QG2          47 ALA  QB          3.00    (#   7608:1   Preassigned    3.12, 4.19 A)
 &rst
  ixpk= 7608, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 858, 859, 860,
 igr2= 728, 729, 730,
 &end
#
#   79 LEU  QD2          47 ALA  QB          3.00    (#   7609:1   Preassigned    2.06, 2.99 A)
 &rst
  ixpk= 7609, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1181,1182,1183,
 igr2= 728, 729, 730,
 &end
#
#    0 AMB  1-1:7699      0 AMB  1-2:7699    3.00    (#   7699:1   Double Ambig)
 &rst
  ixpk= 7699, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 209, 210, 342, 343,
 igr2= 206, 207, 345, 346,
 &end
#
#   29 VAL  QG2          29 VAL  HB          3.00    (#   7704:1   Preassigned    2.35, 2.70 A)
 &rst
  ixpk= 7704, nxpk= 1, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 449, 450, 451,
 &end
#
#   91 LEU  QD2          91 LEU  HG          3.00    (#   7705:1   Preassigned    2.24, 2.45 A)
 &rst
  ixpk= 7705, nxpk= 1, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1358,1359,1360,
 &end
#
#   29 VAL  QG1           0 AMB  1-2:7706    3.00    (#   7706:1   Single Ambig)
 &rst
  ixpk= 7706, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 445, 446, 447,
 igr2= 345, 346, 443,
 &end
#
#   61 ILE  QD1          28 THR  HG2         3.00    (#   7720:1   Preassigned    3.52, 4.94 A)
 &rst
  ixpk= 7720, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 923, 924, 925,
 igr2= 431, 432, 433,
 &end
#
#   79 LEU  QD1          79 LEU  HG          3.00    (#   7721:1   Preassigned    2.46, 2.65 A)
 &rst
  ixpk= 7721, nxpk= 1, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1177,1178,1179,
 &end
#
#   86 ILE  QD1          21 PRO  HB-         3.00    (#   7772:1   Unique         3.29, 4.35 A)
# CHANGED TO HB3
 &rst
  ixpk= 7772, nxpk= 1, iat=  -1,  346, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1280,1281,1282,
 &end
#
#   30 VAL  QG2          22 THR  HG2         3.00    (#   7801:1   Preassigned    2.28, 3.35 A)
 &rst
  ixpk= 7801, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 465, 466, 467,
 igr2= 358, 359, 360,
 &end
#
#   79 LEU  QD2          79 LEU  HG          3.00    (#   7809:1   Preassigned    2.34, 2.56 A)
 &rst
  ixpk= 7809, nxpk= 1, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1181,1182,1183,
 &end
#
#   79 LEU  QD1          79 LEU  HG          3.00    (#   7818:1   Preassigned    2.46, 2.65 A)
 &rst
  ixpk= 7818, nxpk= 1, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1177,1178,1179,
 &end
#
#   85 ILE  QG2          92 LYS  HG3         3.00    (#   7847:1   Preassigned    3.05, 3.70 A)
 &rst
  ixpk= 7847, nxpk= 1, iat=  -1,1372, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   45 VAL  QG1          60 LEU  QD2         3.00    (#   7920:1   Preassigned    2.46, 4.63 A)
 &rst
  ixpk= 7920, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 690, 691, 692,
 igr2= 904, 905, 906,
 &end
#
#   86 ILE  QG2          21 PRO  HG-         3.00    (#   7924:1   Unique         3.65, 4.49 A)
# CHANGED TO HG2
 &rst
  ixpk= 7924, nxpk= 1, iat=  -1,  342, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1273,1274,1275,
 &end
#
#   86 ILE  QG2          21 PRO  HG-         3.00    (#   7997:1   Preassigned    3.65, 4.49 A)
# CHANGED TO HG2
 &rst
  ixpk= 7997, nxpk= 1, iat=  -1,  342, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1273,1274,1275,
 &end
#
#   43 ILE  HG1-         33 VAL  QG2         3.00    (#   7998:1   Unique         3.87, 4.74 A)
# CHANGE TO HG12
 &rst
  ixpk= 7998, nxpk= 1, iat=  661,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 513, 514, 515,
 &end
#
#   86 ILE  QD1          21 PRO  HG-         3.00    (#   7999:1   Preassigned    2.63, 3.83 A)
# CHANGED TO HG2
 &rst
  ixpk= 7999, nxpk= 1, iat=  -1,  342, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1280,1281,1282,
 &end
#
#   85 ILE  QG2          85 ILE  HG13        3.00    (#   8000:1   Preassigned    3.26, 3.75 A)
 &rst
  ixpk= 8000, nxpk= 1, iat=  -1,1259, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   61 ILE  QD1          61 ILE  QG2         3.00    (#   8031:1   Preassigned    2.72, 4.04 A)
 &rst
  ixpk= 8031, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 923, 924, 925,
 igr2= 916, 917, 918,
 &end
#
#   79 LEU  QD2          86 ILE  HG1-        3.00    (#   8105:1   Preassigned    3.49, 4.53 A)
# CHANGED TO HG12
 &rst
  ixpk= 8105, nxpk= 1, iat=  -1,  1277, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1181,1182,1183,
 &end
#
#   79 LEU  QD2          86 ILE  HG1-        3.00    (#   8169:1   Preassigned    3.49, 4.53 A)
# CHANGED TO HG12
 &rst
  ixpk= 8169, nxpk= 1, iat=  -1,  1277, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1181,1182,1183,
 &end
#
#   79 LEU  QD2          86 ILE  HG1-        3.00    (#   8170:1   Preassigned    3.49, 4.53 A)
# CHANGED TO HG12
 &rst
  ixpk= 8170, nxpk= 1, iat=  -1,  1277, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1181,1182,1183,
 &end
#
#   86 ILE  QD1           0 AMB  1-2:8171    3.00    (#   8171:1   Single Ambig)
 &rst
  ixpk= 8171, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1280,1281,1282,
 igr2=1273,1274,1275,1277,1278,
 &end
#
#   86 ILE  QD1          79 LEU  QD1         3.00    (#   8292:1   Preassigned    2.30, 3.23 A)
 &rst
  ixpk= 8292, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1280,1281,1282,
 igr2=1177,1178,1179,
 &end
#
#   29 VAL  QG2          79 LEU  QD1         4.00    (#   8294:1   Preassigned    2.49, 4.35 A)
 &rst
  ixpk= 8294, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 449, 450, 451,
 igr2=1177,1178,1179,
 &end
#
#   29 VAL  QG1          79 LEU  QD1         4.00    (#   8311:1   Unique         3.29, 4.68 A)
 &rst
  ixpk= 8311, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 445, 446, 447,
 igr2=1177,1178,1179,
 &end
#
#   43 ILE  QG2          43 ILE  HG1-        3.00    (#   8328:1   Preassigned    2.45, 3.59 A)
# CHANGE TO 43 ILE QG2 to HG12
 &rst
  ixpk= 8328, nxpk= 1, iat=  -1,  661, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 657, 658, 659,
 &end
#
#   43 ILE  QG2          43 ILE  QD1         3.00    (#   8408:1   Preassigned    2.16, 3.40 A)
 &rst
  ixpk= 8408, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 657, 658, 659,
 igr2= 664, 665, 666,
 &end
#
#   88 VAL  QG1          33 VAL  QG1         3.00    (#   8437:1   Preassigned    2.41, 4.30 A)
 &rst
  ixpk= 8437, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1313,1314,1315,
 igr2= 509, 510, 511,
 &end
#
#   43 ILE  QG2          75 ILE  QD1         3.00    (#   8471:1   Preassigned    2.29, 4.08 A)
 &rst
  ixpk= 8471, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 657, 658, 659,
 igr2=1113,1114,1115,
 &end
#
#   91 LEU  QD2          33 VAL  QG1         4.00    (#   8488:1   Preassigned    3.05, 4.00 A)
 &rst
  ixpk= 8488, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1358,1359,1360,
 igr2= 509, 510, 511,
 &end
#
#   43 ILE  QG2          88 VAL  QG2         3.00    (#   8663:1   Unique         2.57, 3.63 A)
 &rst
  ixpk= 8663, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 657, 658, 659,
 igr2=1317,1318,1319,
 &end
#
#   67 MET  HB2          15 PHE  HZ          4.00    (#   9434:1   Unique         4.08, 4.08 A)
 &rst
  ixpk= 9434, nxpk= 1, iat=1003, 236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PRO  HG+          15 PHE  HZ          4.00    (#   9435:1   Preassigned    3.88, 4.09 A)
# CHANGED TO HG3
 &rst
  ixpk= 9435, nxpk= 1, iat=  675, 236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 &end
#
#    0 AMB  1-1:9436      0 AMB  1-2:9436    3.00    (#   9436:1   Double Ambig)
 &rst
  ixpk= 9436, nxpk= 1, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1090, 537, 545,
 igr2=1088, 539, 543,
 &end
#
#   85 ILE  QG2          85 ILE  HA          3.00    (#   9437:1   Preassigned    2.57, 3.19 A)
 &rst
  ixpk= 9437, nxpk= 1, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   85 ILE  QG2          85 ILE  HA          3.00    (#   9438:1   Preassigned    2.57, 3.19 A)
 &rst
  ixpk= 9438, nxpk= 1, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1254,1255,1256,
 &end
#
#   58 ALA  QB           58 ALA  HA          3.00    (#   9441:1   Preassigned    2.43, 2.64 A)
 &rst
  ixpk= 9441, nxpk= 1, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
#
#   58 ALA  QB           58 ALA  HA          3.00    (#   9443:1   Preassigned    2.43, 2.64 A)
 &rst
  ixpk= 9443, nxpk= 1, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 868, 869, 870,
 &end
# TALOS PHI RESTRAINT FOR RESIDUE  16
 &rst 
 iat(1) =  15     , iat(2) =  16     ,
 iat(3) =  16     , iat(4) =  16     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -191.1 , r2 =  -161.1 , r3 =  -101.1, r4 =    -71.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  16
 &rst 
 iat(1) =  16     , iat(2) =  16     ,
 iat(3) =  16     , iat(4) =  17     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    91.8 , r2 =   121.8 , r3 =   181.8 , r4 =    211.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  17
 &rst 
 iat(1) =  16     , iat(2) =  17     ,
 iat(3) =  17     , iat(4) =  17     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -143.2 , r2 =  -113.2 , r3 =   -53.2, r4 =    -23.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  17
 &rst 
 iat(1) =  17     , iat(2) =  17     ,
 iat(3) =  17     , iat(4) =  18     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.8 , r2 =   103.8 , r3 =   163.8 , r4 =    193.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  18
 &rst 
 iat(1) =  17     , iat(2) =  18     ,
 iat(3) =  18     , iat(4) =  18     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -141.0 , r2 =  -111.0 , r3 =   -51.0, r4 =    -21.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  18
 &rst 
 iat(1) =  18     , iat(2) =  18     ,
 iat(3) =  18     , iat(4) =  19     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -84.0 , r2 =   -54.0 , r3 =     6.0 , r4 =     36.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  19
 &rst 
 iat(1) =  18     , iat(2) =  19     ,
 iat(3) =  19     , iat(4) =  19     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.0 , r2 =  -143.0 , r3 =   -83.0, r4 =    -53.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  19
 &rst 
 iat(1) =  19     , iat(2) =  19     ,
 iat(3) =  19     , iat(4) =  20     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.0 , r2 =   106.0 , r3 =   166.0 , r4 =    196.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  20
 &rst 
 iat(1) =  19     , iat(2) =  20     ,
 iat(3) =  20     , iat(4) =  20     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -142.0 , r2 =  -112.0 , r3 =   -52.0, r4 =    -22.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  20
 &rst 
 iat(1) =  20     , iat(2) =  20     ,
 iat(3) =  20     , iat(4) =  21     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    75.0 , r2 =   105.0 , r3 =   165.0 , r4 =    195.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  21
 &rst 
 iat(1) =  20     , iat(2) =  21     ,
 iat(3) =  21     , iat(4) =  21     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -135.0 , r2 =  -105.0 , r3 =   -45.0, r4 =    -15.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  21
 &rst 
 iat(1) =  21     , iat(2) =  21     ,
 iat(3) =  21     , iat(4) =  22     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    89.0 , r2 =   119.0 , r3 =   179.0 , r4 =    209.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  22
 &rst 
 iat(1) =  21     , iat(2) =  22     ,
 iat(3) =  22     , iat(4) =  22     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.4 , r2 =  -150.4 , r3 =   -90.4, r4 =    -60.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  22
 &rst 
 iat(1) =  22     , iat(2) =  22     ,
 iat(3) =  22     , iat(4) =  23     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.2 , r2 =   108.2 , r3 =   168.2 , r4 =    198.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  23
 &rst 
 iat(1) =  22     , iat(2) =  23     ,
 iat(3) =  23     , iat(4) =  23     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -148.2 , r2 =  -118.2 , r3 =   -58.2, r4 =    -28.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  23
 &rst 
 iat(1) =  23     , iat(2) =  23     ,
 iat(3) =  23     , iat(4) =  24     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    71.9 , r2 =   101.9 , r3 =   161.9 , r4 =    191.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  24
 &rst 
 iat(1) =  23     , iat(2) =  24     ,
 iat(3) =  24     , iat(4) =  24     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -142.0 , r2 =  -112.0 , r3 =   -52.0, r4 =    -22.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  24
 &rst 
 iat(1) =  24     , iat(2) =  24     ,
 iat(3) =  24     , iat(4) =  25     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -88.0 , r2 =   -58.0 , r3 =     2.0 , r4 =     32.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  25
 &rst 
 iat(1) =  24     , iat(2) =  25     ,
 iat(3) =  25     , iat(4) =  25     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    22.0 , r2 =    52.0 , r3 =   112.0, r4 =    142.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  25
 &rst 
 iat(1) =  25     , iat(2) =  25     ,
 iat(3) =  25     , iat(4) =  26     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -49.0 , r2 =   -19.0 , r3 =    41.0 , r4 =     71.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  26
 &rst 
 iat(1) =  25     , iat(2) =  26     ,
 iat(3) =  26     , iat(4) =  26     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -157.0 , r2 =  -127.0 , r3 =   -67.0, r4 =    -37.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  26
 &rst 
 iat(1) =  26     , iat(2) =  26     ,
 iat(3) =  26     , iat(4) =  27     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -55.0 , r2 =   -25.0 , r3 =    35.0 , r4 =     65.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  27
 &rst 
 iat(1) =  26     , iat(2) =  27     ,
 iat(3) =  27     , iat(4) =  27     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    -5.0 , r2 =    25.0 , r3 =    85.0, r4 =    115.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  27
 &rst 
 iat(1) =  27     , iat(2) =  27     ,
 iat(3) =  27     , iat(4) =  28     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -15.0 , r2 =    15.0 , r3 =    75.0 , r4 =    105.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  28
 &rst 
 iat(1) =  27     , iat(2) =  28     ,
 iat(3) =  28     , iat(4) =  28     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -189.6 , r2 =  -159.6 , r3 =   -99.6, r4 =    -69.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  28
 &rst 
 iat(1) =  28     , iat(2) =  28     ,
 iat(3) =  28     , iat(4) =  29     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    97.4 , r2 =   127.4 , r3 =   187.4 , r4 =    217.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  29
 &rst 
 iat(1) =  28     , iat(2) =  29     ,
 iat(3) =  29     , iat(4) =  29     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -169.8 , r2 =  -139.8 , r3 =   -79.8, r4 =    -49.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  29
 &rst 
 iat(1) =  29     , iat(2) =  29     ,
 iat(3) =  29     , iat(4) =  30     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.4 , r2 =   102.4 , r3 =   162.4 , r4 =    192.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  30
 &rst 
 iat(1) =  29     , iat(2) =  30     ,
 iat(3) =  30     , iat(4) =  30     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -194.9 , r2 =  -164.9 , r3 =  -104.9, r4 =    -74.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  30
 &rst 
 iat(1) =  30     , iat(2) =  30     ,
 iat(3) =  30     , iat(4) =  31     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    97.0 , r2 =   127.0 , r3 =   187.0 , r4 =    217.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  31
 &rst 
 iat(1) =  30     , iat(2) =  31     ,
 iat(3) =  31     , iat(4) =  31     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -203.7 , r2 =  -173.7 , r3 =  -113.7, r4 =    -83.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  31
 &rst 
 iat(1) =  31     , iat(2) =  31     ,
 iat(3) =  31     , iat(4) =  32     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   100.1 , r2 =   130.1 , r3 =   190.1 , r4 =    220.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  32
 &rst 
 iat(1) =  31     , iat(2) =  32     ,
 iat(3) =  32     , iat(4) =  32     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -188.4 , r2 =  -158.4 , r3 =   -98.4, r4 =    -68.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  32
 &rst 
 iat(1) =  32     , iat(2) =  32     ,
 iat(3) =  32     , iat(4) =  33     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    84.9 , r2 =   114.9 , r3 =   174.9 , r4 =    204.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  33
 &rst 
 iat(1) =  32     , iat(2) =  33     ,
 iat(3) =  33     , iat(4) =  33     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -188.4 , r2 =  -158.4 , r3 =   -98.4, r4 =    -68.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  33
 &rst 
 iat(1) =  33     , iat(2) =  33     ,
 iat(3) =  33     , iat(4) =  34     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    88.5 , r2 =   118.5 , r3 =   178.5 , r4 =    208.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  34
 &rst 
 iat(1) =  33     , iat(2) =  34     ,
 iat(3) =  34     , iat(4) =  34     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -181.4 , r2 =  -151.4 , r3 =   -91.4, r4 =    -61.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  34
 &rst 
 iat(1) =  34     , iat(2) =  34     ,
 iat(3) =  34     , iat(4) =  35     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.4 , r2 =   110.4 , r3 =   170.4 , r4 =    200.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  35
 &rst 
 iat(1) =  34     , iat(2) =  35     ,
 iat(3) =  35     , iat(4) =  35     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -190.3 , r2 =  -160.3 , r3 =  -100.3, r4 =    -70.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  35
 &rst 
 iat(1) =  35     , iat(2) =  35     ,
 iat(3) =  35     , iat(4) =  36     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.3 , r2 =   108.3 , r3 =   168.3 , r4 =    198.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  36
 &rst 
 iat(1) =  35     , iat(2) =  36     ,
 iat(3) =  36     , iat(4) =  36     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -162.0 , r2 =  -132.0 , r3 =   -72.0, r4 =    -42.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  36
 &rst 
 iat(1) =  36     , iat(2) =  36     ,
 iat(3) =  36     , iat(4) =  37     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -97.0 , r2 =   -67.0 , r3 =    -7.0 , r4 =     23.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  38
 &rst 
 iat(1) =  37     , iat(2) =  38     ,
 iat(3) =  38     , iat(4) =  38     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -145.0 , r2 =  -115.0 , r3 =   -55.0, r4 =    -25.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  38
 &rst 
 iat(1) =  38     , iat(2) =  38     ,
 iat(3) =  38     , iat(4) =  39     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.0 , r2 =   102.0 , r3 =   162.0 , r4 =    192.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  39
 &rst 
 iat(1) =  38     , iat(2) =  39     ,
 iat(3) =  39     , iat(4) =  39     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.0 , r2 =  -137.0 , r3 =   -77.0, r4 =    -47.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  39
 &rst 
 iat(1) =  39     , iat(2) =  39     ,
 iat(3) =  39     , iat(4) =  40     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.0 , r2 =   100.0 , r3 =   160.0 , r4 =    190.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  40
 &rst 
 iat(1) =  39     , iat(2) =  40     ,
 iat(3) =  40     , iat(4) =  40     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -164.0 , r2 =  -134.0 , r3 =   -74.0, r4 =    -44.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  40
 &rst 
 iat(1) =  40     , iat(2) =  40     ,
 iat(3) =  40     , iat(4) =  41     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.0 , r2 =   110.0 , r3 =   170.0 , r4 =    200.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  41
 &rst 
 iat(1) =  40     , iat(2) =  41     ,
 iat(3) =  41     , iat(4) =  41     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -200.0 , r2 =  -170.0 , r3 =  -110.0, r4 =    -80.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  41
 &rst 
 iat(1) =  41     , iat(2) =  41     ,
 iat(3) =  41     , iat(4) =  42     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    92.0 , r2 =   122.0 , r3 =   182.0 , r4 =    212.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  42
 &rst 
 iat(1) =  41     , iat(2) =  42     ,
 iat(3) =  42     , iat(4) =  42     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.0 , r2 =  -131.0 , r3 =   -71.0, r4 =    -41.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  42
 &rst 
 iat(1) =  42     , iat(2) =  42     ,
 iat(3) =  42     , iat(4) =  43     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.0 , r2 =   100.0 , r3 =   160.0 , r4 =    190.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  43
 &rst 
 iat(1) =  42     , iat(2) =  43     ,
 iat(3) =  43     , iat(4) =  43     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -153.0 , r2 =  -123.0 , r3 =   -63.0, r4 =    -33.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  43
 &rst 
 iat(1) =  43     , iat(2) =  43     ,
 iat(3) =  43     , iat(4) =  44     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    62.0 , r2 =    92.0 , r3 =   152.0 , r4 =    182.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  44
 &rst 
 iat(1) =  43     , iat(2) =  44     ,
 iat(3) =  44     , iat(4) =  44     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.3 , r2 =  -131.3 , r3 =   -71.3, r4 =    -41.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  44
 &rst 
 iat(1) =  44     , iat(2) =  44     ,
 iat(3) =  44     , iat(4) =  45     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    58.8 , r2 =    88.8 , r3 =   148.8 , r4 =    178.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  45
 &rst 
 iat(1) =  44     , iat(2) =  45     ,
 iat(3) =  45     , iat(4) =  45     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.5 , r2 =  -150.5 , r3 =   -90.5, r4 =    -60.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  45
 &rst 
 iat(1) =  45     , iat(2) =  45     ,
 iat(3) =  45     , iat(4) =  46     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    79.8 , r2 =   109.8 , r3 =   169.8 , r4 =    199.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  46
 &rst 
 iat(1) =  45     , iat(2) =  46     ,
 iat(3) =  46     , iat(4) =  46     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -192.2 , r2 =  -162.2 , r3 =  -102.2, r4 =    -72.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  46
 &rst 
 iat(1) =  46     , iat(2) =  46     ,
 iat(3) =  46     , iat(4) =  47     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    87.0 , r2 =   117.0 , r3 =   177.0 , r4 =    207.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  47
 &rst 
 iat(1) =  46     , iat(2) =  47     ,
 iat(3) =  47     , iat(4) =  47     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -193.5 , r2 =  -163.5 , r3 =  -103.5, r4 =    -73.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  47
 &rst 
 iat(1) =  47     , iat(2) =  47     ,
 iat(3) =  47     , iat(4) =  48     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    90.5 , r2 =   120.5 , r3 =   180.5 , r4 =    210.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  48
 &rst 
 iat(1) =  47     , iat(2) =  48     ,
 iat(3) =  48     , iat(4) =  48     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -192.0 , r2 =  -162.0 , r3 =  -102.0, r4 =    -72.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  48
 &rst 
 iat(1) =  48     , iat(2) =  48     ,
 iat(3) =  48     , iat(4) =  49     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    86.5 , r2 =   116.5 , r3 =   176.5 , r4 =    206.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  49
 &rst 
 iat(1) =  48     , iat(2) =  49     ,
 iat(3) =  49     , iat(4) =  49     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.6 , r2 =  -116.6 , r3 =   -56.6, r4 =    -26.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  49
 &rst 
 iat(1) =  49     , iat(2) =  49     ,
 iat(3) =  49     , iat(4) =  50     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    83.5 , r2 =   113.5 , r3 =   173.5 , r4 =    203.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  50
 &rst 
 iat(1) =  49     , iat(2) =  50     ,
 iat(3) =  50     , iat(4) =  50     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -120.0 , r2 =   -90.0 , r3 =   -30.0, r4 =      0.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  50
 &rst 
 iat(1) =  50     , iat(2) =  50     ,
 iat(3) =  50     , iat(4) =  51     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.0 , r2 =   103.0 , r3 =   163.0 , r4 =    193.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  51
 &rst 
 iat(1) =  50     , iat(2) =  51     ,
 iat(3) =  51     , iat(4) =  51     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    39.0 , r2 =    69.0 , r3 =   129.0, r4 =    159.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  51
 &rst 
 iat(1) =  51     , iat(2) =  51     ,
 iat(3) =  51     , iat(4) =  52     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -82.0 , r2 =   -52.0 , r3 =     8.0 , r4 =     38.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  52
 &rst 
 iat(1) =  51     , iat(2) =  52     ,
 iat(3) =  52     , iat(4) =  52     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -163.0 , r2 =  -133.0 , r3 =   -73.0, r4 =    -43.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  52
 &rst 
 iat(1) =  52     , iat(2) =  52     ,
 iat(3) =  52     , iat(4) =  53     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    69.0 , r2 =    99.0 , r3 =   159.0 , r4 =    189.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  53
 &rst 
 iat(1) =  52     , iat(2) =  53     ,
 iat(3) =  53     , iat(4) =  53     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -118.0 , r2 =   -88.0 , r3 =   -28.0, r4 =      2.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  53
 &rst 
 iat(1) =  53     , iat(2) =  53     ,
 iat(3) =  53     , iat(4) =  54     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -83.0 , r2 =   -53.0 , r3 =     7.0 , r4 =     37.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  54
 &rst 
 iat(1) =  53     , iat(2) =  54     ,
 iat(3) =  54     , iat(4) =  54     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.0 , r2 =  -126.0 , r3 =   -66.0, r4 =    -36.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  54
 &rst 
 iat(1) =  54     , iat(2) =  54     ,
 iat(3) =  54     , iat(4) =  55     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -65.0 , r2 =   -35.0 , r3 =    25.0 , r4 =     55.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  55
 &rst 
 iat(1) =  54     , iat(2) =  55     ,
 iat(3) =  55     , iat(4) =  55     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -163.0 , r2 =  -133.0 , r3 =   -73.0, r4 =    -43.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  55
 &rst 
 iat(1) =  55     , iat(2) =  55     ,
 iat(3) =  55     , iat(4) =  56     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.0 , r2 =    98.0 , r3 =   158.0 , r4 =    188.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  56
 &rst 
 iat(1) =  55     , iat(2) =  56     ,
 iat(3) =  56     , iat(4) =  56     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -159.0 , r2 =  -129.0 , r3 =   -69.0, r4 =    -39.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  56
 &rst 
 iat(1) =  56     , iat(2) =  56     ,
 iat(3) =  56     , iat(4) =  57     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    61.0 , r2 =    91.0 , r3 =   151.0 , r4 =    181.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  57
 &rst 
 iat(1) =  56     , iat(2) =  57     ,
 iat(3) =  57     , iat(4) =  57     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -126.0 , r2 =   -96.0 , r3 =   -36.0, r4 =     -6.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  57
 &rst 
 iat(1) =  57     , iat(2) =  57     ,
 iat(3) =  57     , iat(4) =  58     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -82.0 , r2 =   -52.0 , r3 =     8.0 , r4 =     38.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  58
 &rst 
 iat(1) =  57     , iat(2) =  58     ,
 iat(3) =  58     , iat(4) =  58     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -129.0 , r2 =   -99.0 , r3 =   -39.0, r4 =     -9.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  58
 &rst 
 iat(1) =  58     , iat(2) =  58     ,
 iat(3) =  58     , iat(4) =  59     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.0 , r2 =   103.0 , r3 =   163.0 , r4 =    193.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  59
 &rst 
 iat(1) =  58     , iat(2) =  59     ,
 iat(3) =  59     , iat(4) =  59     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.0 , r2 =  -126.0 , r3 =   -66.0, r4 =    -36.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  59
 &rst 
 iat(1) =  59     , iat(2) =  59     ,
 iat(3) =  59     , iat(4) =  60     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.0 , r2 =   102.0 , r3 =   162.0 , r4 =    192.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  60
 &rst 
 iat(1) =  59     , iat(2) =  60     ,
 iat(3) =  60     , iat(4) =  60     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -150.0 , r2 =  -120.0 , r3 =   -60.0, r4 =    -30.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  60
 &rst 
 iat(1) =  60     , iat(2) =  60     ,
 iat(3) =  60     , iat(4) =  61     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.4 , r2 =    98.4 , r3 =   158.4 , r4 =    188.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  61
 &rst 
 iat(1) =  60     , iat(2) =  61     ,
 iat(3) =  61     , iat(4) =  61     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.0 , r2 =  -137.0 , r3 =   -77.0, r4 =    -47.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  61
 &rst 
 iat(1) =  61     , iat(2) =  61     ,
 iat(3) =  61     , iat(4) =  62     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -77.0 , r2 =   -47.0 , r3 =    13.0 , r4 =     43.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  62
 &rst 
 iat(1) =  61     , iat(2) =  62     ,
 iat(3) =  62     , iat(4) =  62     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -171.9 , r2 =  -141.9 , r3 =   -81.9, r4 =    -51.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  62
 &rst 
 iat(1) =  62     , iat(2) =  62     ,
 iat(3) =  62     , iat(4) =  63     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    91.7 , r2 =   121.7 , r3 =   181.7 , r4 =    211.7 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  63
 &rst 
 iat(1) =  62     , iat(2) =  63     ,
 iat(3) =  63     , iat(4) =  63     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -138.0 , r2 =  -108.0 , r3 =   -48.0, r4 =    -18.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  63
 &rst 
 iat(1) =  63     , iat(2) =  63     ,
 iat(3) =  63     , iat(4) =  64     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    87.0 , r2 =   117.0 , r3 =   177.0 , r4 =    207.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  64
 &rst 
 iat(1) =  63     , iat(2) =  64     ,
 iat(3) =  64     , iat(4) =  64     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -190.0 , r2 =  -160.0 , r3 =  -100.0, r4 =    -70.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  64
 &rst 
 iat(1) =  64     , iat(2) =  64     ,
 iat(3) =  64     , iat(4) =  65     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    20.0 , r2 =    50.0 , r3 =   110.0 , r4 =    140.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  65
 &rst 
 iat(1) =  64     , iat(2) =  65     ,
 iat(3) =  65     , iat(4) =  65     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.2 , r2 =  -116.2 , r3 =   -56.2, r4 =    -26.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  65
 &rst 
 iat(1) =  65     , iat(2) =  65     ,
 iat(3) =  65     , iat(4) =  66     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.4 , r2 =   100.4 , r3 =   160.4 , r4 =    190.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  66
 &rst 
 iat(1) =  65     , iat(2) =  66     ,
 iat(3) =  66     , iat(4) =  66     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.7 , r2 =  -143.7 , r3 =   -83.7, r4 =    -53.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  66
 &rst 
 iat(1) =  66     , iat(2) =  66     ,
 iat(3) =  66     , iat(4) =  67     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    86.0 , r2 =   116.0 , r3 =   176.0 , r4 =    206.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  67
 &rst 
 iat(1) =  66     , iat(2) =  67     ,
 iat(3) =  67     , iat(4) =  67     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.5 , r2 =  -137.5 , r3 =   -77.5, r4 =    -47.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  67
 &rst 
 iat(1) =  67     , iat(2) =  67     ,
 iat(3) =  67     , iat(4) =  68     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    62.4 , r2 =    92.4 , r3 =   152.4 , r4 =    182.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  68
 &rst 
 iat(1) =  67     , iat(2) =  68     ,
 iat(3) =  68     , iat(4) =  68     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -172.0 , r2 =  -142.0 , r3 =   -82.0, r4 =    -52.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  68
 &rst 
 iat(1) =  68     , iat(2) =  68     ,
 iat(3) =  68     , iat(4) =  69     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    85.0 , r2 =   115.0 , r3 =   175.0 , r4 =    205.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  69
 &rst 
 iat(1) =  68     , iat(2) =  69     ,
 iat(3) =  69     , iat(4) =  69     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -123.0 , r2 =   -93.0 , r3 =   -33.0, r4 =     -3.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  69
 &rst 
 iat(1) =  69     , iat(2) =  69     ,
 iat(3) =  69     , iat(4) =  70     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -87.0 , r2 =   -57.0 , r3 =     3.0 , r4 =     33.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  70
 &rst 
 iat(1) =  69     , iat(2) =  70     ,
 iat(3) =  70     , iat(4) =  70     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.7 , r2 =  -126.7 , r3 =   -66.7, r4 =    -36.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  70
 &rst 
 iat(1) =  70     , iat(2) =  70     ,
 iat(3) =  70     , iat(4) =  71     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -57.6 , r2 =   -27.6 , r3 =    32.4 , r4 =     62.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  71 DEV AVERAGE FROM OHF AND TBE XRAY
 &rst 
 iat(1) =  70     , iat(2) =  71     ,
 iat(3) =  71     , iat(4) =  71     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =   105.0 , r2 =   115.0 , r3 =   185.0, r4 =    195.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  71 DEV AVERAGE FROM OHF AND TBE XRAY
 &rst 
 iat(1) =  71     , iat(2) =  71     ,
 iat(3) =  71     , iat(4) =  72     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   150.0 , r2 =   160.0 , r3 =   200.0 , r4 =    210.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  72 DEV AVERAGE FROM OHF AND TBE XRAY
 &rst 
 iat(1) =  71     , iat(2) =  72     ,
 iat(3) =  72     , iat(4) =  72     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    70.0 , r2 =    80.0 , r3 =   100.0, r4 =    110.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  72 DEV AVERAGE FROM OHF AND TBE XRAY
 &rst 
 iat(1) =  72     , iat(2) =  72     ,
 iat(3) =  72     , iat(4) =  73     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   145.0 , r2 =   155.0 , r3 =   175.0 , r4 =    185.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  73
 &rst 
 iat(1) =  72     , iat(2) =  73     ,
 iat(3) =  73     , iat(4) =  73     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    21.0 , r2 =    51.0 , r3 =   111.0, r4 =    141.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  73
 &rst 
 iat(1) =  73     , iat(2) =  73     ,
 iat(3) =  73     , iat(4) =  74     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -56.0 , r2 =   -26.0 , r3 =    34.0 , r4 =     64.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  74
 &rst 
 iat(1) =  73     , iat(2) =  74     ,
 iat(3) =  74     , iat(4) =  74     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.5 , r2 =  -126.5 , r3 =   -66.5, r4 =    -36.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  74
 &rst 
 iat(1) =  74     , iat(2) =  74     ,
 iat(3) =  74     , iat(4) =  75     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    79.1 , r2 =   109.1 , r3 =   169.1 , r4 =    199.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  75
 &rst 
 iat(1) =  74     , iat(2) =  75     ,
 iat(3) =  75     , iat(4) =  75     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.9 , r2 =  -150.9 , r3 =   -90.9, r4 =    -60.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  75
 &rst 
 iat(1) =  75     , iat(2) =  75     ,
 iat(3) =  75     , iat(4) =  76     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    77.3 , r2 =   107.3 , r3 =   167.3 , r4 =    197.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  76
 &rst 
 iat(1) =  75     , iat(2) =  76     ,
 iat(3) =  76     , iat(4) =  76     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -174.1 , r2 =  -144.1 , r3 =   -84.1, r4 =    -54.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  76
 &rst 
 iat(1) =  76     , iat(2) =  76     ,
 iat(3) =  76     , iat(4) =  77     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.2 , r2 =   104.2 , r3 =   164.2 , r4 =    194.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  77
 &rst 
 iat(1) =  76     , iat(2) =  77     ,
 iat(3) =  77     , iat(4) =  77     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -191.8 , r2 =  -161.8 , r3 =  -101.8, r4 =    -71.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  77
 &rst 
 iat(1) =  77     , iat(2) =  77     ,
 iat(3) =  77     , iat(4) =  78     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    81.4 , r2 =   111.4 , r3 =   171.4 , r4 =    201.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  78
 &rst 
 iat(1) =  77     , iat(2) =  78     ,
 iat(3) =  78     , iat(4) =  78     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.4 , r2 =  -143.4 , r3 =   -83.4, r4 =    -53.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  78
 &rst 
 iat(1) =  78     , iat(2) =  78     ,
 iat(3) =  78     , iat(4) =  79     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.8 , r2 =   102.8 , r3 =   162.8 , r4 =    192.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  79
 &rst 
 iat(1) =  78     , iat(2) =  79     ,
 iat(3) =  79     , iat(4) =  79     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.3 , r2 =  -154.3 , r3 =   -94.3, r4 =    -64.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  79
 &rst 
 iat(1) =  79     , iat(2) =  79     ,
 iat(3) =  79     , iat(4) =  80     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    60.2 , r2 =    90.2 , r3 =   150.2 , r4 =    180.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  80
 &rst 
 iat(1) =  79     , iat(2) =  80     ,
 iat(3) =  80     , iat(4) =  80     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -120.2 , r2 =   -90.2 , r3 =   -30.2, r4 =     -0.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  80
 &rst 
 iat(1) =  80     , iat(2) =  80     ,
 iat(3) =  80     , iat(4) =  81     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.4 , r2 =   108.4 , r3 =   168.4 , r4 =    198.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  81
 &rst 
 iat(1) =  80     , iat(2) =  81     ,
 iat(3) =  81     , iat(4) =  81     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -123.0 , r2 =   -93.0 , r3 =   -33.0, r4 =     -3.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  81
 &rst 
 iat(1) =  81     , iat(2) =  81     ,
 iat(3) =  81     , iat(4) =  82     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    77.0 , r2 =   107.0 , r3 =   167.0 , r4 =    197.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  83
 &rst 
 iat(1) =  82     , iat(2) =  83     ,
 iat(3) =  83     , iat(4) =  83     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -149.5 , r2 =  -119.5 , r3 =   -59.5, r4 =    -29.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  83
 &rst 
 iat(1) =  83     , iat(2) =  83     ,
 iat(3) =  83     , iat(4) =  84     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.0 , r2 =   104.0 , r3 =   164.0 , r4 =    194.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  84
 &rst 
 iat(1) =  83     , iat(2) =  84     ,
 iat(3) =  84     , iat(4) =  84     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.7 , r2 =  -154.7 , r3 =   -94.7, r4 =    -64.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  84
 &rst 
 iat(1) =  84     , iat(2) =  84     ,
 iat(3) =  84     , iat(4) =  85     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.1 , r2 =   110.1 , r3 =   170.1 , r4 =    200.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  85
 &rst 
 iat(1) =  84     , iat(2) =  85     ,
 iat(3) =  85     , iat(4) =  85     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -176.4 , r2 =  -146.4 , r3 =   -86.5, r4 =    -56.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  85
 &rst 
 iat(1) =  85     , iat(2) =  85     ,
 iat(3) =  85     , iat(4) =  86     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.3 , r2 =    98.3 , r3 =   158.3 , r4 =    188.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  86
 &rst 
 iat(1) =  85     , iat(2) =  86     ,
 iat(3) =  86     , iat(4) =  86     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -174.2 , r2 =  -144.2 , r3 =   -84.2, r4 =    -54.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  86
 &rst 
 iat(1) =  86     , iat(2) =  86     ,
 iat(3) =  86     , iat(4) =  87     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.3 , r2 =   106.3 , r3 =   166.3 , r4 =    196.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  87
 &rst 
 iat(1) =  86     , iat(2) =  87     ,
 iat(3) =  87     , iat(4) =  87     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.4 , r2 =  -137.4 , r3 =   -77.4, r4 =    -47.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  87
 &rst 
 iat(1) =  87     , iat(2) =  87     ,
 iat(3) =  87     , iat(4) =  88     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.9 , r2 =   104.9 , r3 =   164.9 , r4 =    194.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  88
 &rst 
 iat(1) =  87     , iat(2) =  88     ,
 iat(3) =  88     , iat(4) =  88     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.0 , r2 =  -116.0 , r3 =   -56.0, r4 =    -26.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  88
 &rst 
 iat(1) =  88     , iat(2) =  88     ,
 iat(3) =  88     , iat(4) =  89     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.0 , r2 =   106.0 , r3 =   166.0 , r4 =    196.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  90
 &rst 
 iat(1) =  89     , iat(2) =  90     ,
 iat(3) =  90     , iat(4) =  90     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -147.0 , r2 =  -117.0 , r3 =   -57.0, r4 =    -27.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  90
 &rst 
 iat(1) =  90     , iat(2) =  90     ,
 iat(3) =  90     , iat(4) =  91     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -76.0 , r2 =   -46.0 , r3 =    14.0 , r4 =     44.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  91
 &rst 
 iat(1) =  90     , iat(2) =  91     ,
 iat(3) =  91     , iat(4) =  91     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -137.0 , r2 =  -107.0 , r3 =   -47.0, r4 =    -17.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  91
 &rst 
 iat(1) =  91     , iat(2) =  91     ,
 iat(3) =  91     , iat(4) =  92     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    75.0 , r2 =   105.0 , r3 =   165.0 , r4 =    195.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  92
 &rst 
 iat(1) =  91     , iat(2) =  92     ,
 iat(3) =  92     , iat(4) =  92     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.8 , r2 =  -154.8 , r3 =   -94.8, r4 =    -64.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  92
 &rst 
 iat(1) =  92     , iat(2) =  92     ,
 iat(3) =  92     , iat(4) =  93     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    83.8 , r2 =   113.8 , r3 =   173.8 , r4 =    203.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  93
 &rst 
 iat(1) =  92     , iat(2) =  93     ,
 iat(3) =  93     , iat(4) =  93     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -196.0 , r2 =  -166.0 , r3 =  -106.0, r4 =    -76.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  93
 &rst 
 iat(1) =  93     , iat(2) =  93     ,
 iat(3) =  93     , iat(4) =  94     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.4 , r2 =   108.4 , r3 =   168.4 , r4 =    198.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  94
 &rst 
 iat(1) =  93     , iat(2) =  94     ,
 iat(3) =  94     , iat(4) =  94     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -153.6 , r2 =  -123.6 , r3 =   -63.6, r4 =    -33.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  94
 &rst 
 iat(1) =  94     , iat(2) =  94     ,
 iat(3) =  94     , iat(4) =  95     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    71.7 , r2 =   101.7 , r3 =   161.7 , r4 =    191.7 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  95
 &rst 
 iat(1) =  94     , iat(2) =  95     ,
 iat(3) =  95     , iat(4) =  95     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.1 , r2 =  -143.1 , r3 =   -83.1, r4 =    -53.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  95
 &rst 
 iat(1) =  95     , iat(2) =  95     ,
 iat(3) =  95     , iat(4) =  96     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    63.8 , r2 =    93.8 , r3 =   153.8 , r4 =    183.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  96
 &rst 
 iat(1) =  95     , iat(2) =  96     ,
 iat(3) =  96     , iat(4) =  96     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -157.9 , r2 =  -127.9 , r3 =   -67.9, r4 =    -37.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  96
 &rst 
 iat(1) =  96     , iat(2) =  96     ,
 iat(3) =  96     , iat(4) =  97     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    67.4 , r2 =    97.4 , r3 =   157.4 , r4 =    187.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  97
 &rst 
 iat(1) =  96     , iat(2) =  97     ,
 iat(3) =  97     , iat(4) =  97     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.1 , r2 =  -131.1 , r3 =   -71.1, r4 =    -41.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  97
 &rst 
 iat(1) =  97     , iat(2) =  97     ,
 iat(3) =  97     , iat(4) =  98     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    60.5 , r2 =    90.5 , r3 =   150.5 , r4 =    180.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

# TALOS PHI RESTRAINT FOR RESIDUE  98
 &rst 
 iat(1) =  97     , iat(2) =  98     ,
 iat(3) =  98     , iat(4) =  98     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.7 , r2 =  -126.7 , r3 =   -66.7, r4 =    -36.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

# TALOS PSI RESTRAINT FOR RESIDUE  98
 &rst 
 iat(1) =  98     , iat(2) =  98     ,
 iat(3) =  98     , iat(4) =  99     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    65.2 , r2 =    95.2 , r3 =   155.2 , r4 =    185.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

#
#  chirality for residue 1 atoms:  CA CG2 CG1 HB
 &rst iat=5,9,13,8, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 50., rk3=50.,  &end
#
#  chirality for residue 1 atoms:  CB CD1 HG12 HG13
 &rst iat=7,16,14,15, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,20,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=24,29,27,28, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=22,31,25,26, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=35,40,38,39, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=37,43,41,42, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=43,49,47,48, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=40,46,44,45, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=33,53,36,37, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=55,60,58,59, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=64,69,67,68, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=66,71,75,70, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=62,79,65,66, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=83,87,91,86, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=81,93,84,85, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,114,98,99, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=118,122,126,121, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=116,128,119,120, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=132,137,135,136, &end
#
#  chirality for residue 9 atoms:  CB SD HG2 HG3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=130,145,133,134, &end
#
#  chirality for residue 10 atoms:  CA SG HB2 HB3
 &rst iat=149,154,152,153, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=147,155,150,151, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=159,164,162,163, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=157,167,160,161, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=171,176,174,175, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=173,179,177,178, &end
#
#  chirality for residue 12 atoms:  CD NZ HE2 HE3
 &rst iat=179,185,183,184, &end
#
#  chirality for residue 12 atoms:  CG CE HD2 HD3
 &rst iat=176,182,180,181, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=169,189,172,173, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=191,199,194,195, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=205,211,209,210, &end
#
#  chirality for residue 14 atoms:  CD NZ HE2 HE3
 &rst iat=211,217,215,216, &end
#
#  chirality for residue 14 atoms:  CG CE HD2 HD3
 &rst iat=208,214,212,213, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=201,221,204,205, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=223,241,226,227, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=245,249,253,248, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=243,255,246,247, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=259,264,262,263, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=257,279,260,261, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=283,288,286,287, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=285,291,289,290, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=288,294,292,293, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=281,301,284,285, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=305,310,308,309, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=307,313,311,312, &end
#
#  chirality for residue 19 atoms:  CG NE HD2 HD3
 &rst iat=310,316,314,315, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=303,325,306,307, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=327,335,330,331, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=347,341,345,346, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=344,338,342,343, &end
#
#  chirality for residue 21 atoms:  CG N HD2 HD3
 &rst iat=341,337,339,340, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=337,349,348,344, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=353,357,361,356, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=351,363,354,355, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=367,372,370,371, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=365,375,368,369, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat=379,384,382,383, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=377,386,380,381, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=388,393,391,392, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=414,419,417,418, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=412,422,415,416, &end
#
#  chirality for residue 28 atoms:  CA CG2 OG1 HB
 &rst iat=426,430,434,429, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=424,436,427,428, &end
#
#  chirality for residue 29 atoms:  CA CG1 CG2 HB
 &rst iat=440,444,448,443, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=438,452,441,442, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=456,460,464,459, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=454,468,457,458, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=472,477,475,476, &end
#
#  chirality for residue 31 atoms:  CB SD HG2 HG3
 &rst iat=474,480,478,479, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=470,485,473,474, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=491,497,495,496, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,500,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=504,508,512,507, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=502,516,505,506, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=518,526,521,522, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=528,546,531,532, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=550,555,553,554, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=548,557,551,552, &end
#
#  chirality for residue 37 atoms:  N C HA2 HA3
 &rst iat=559,564,562,563, &end
#
#  chirality for residue 38 atoms:  CA CG2 OG1 HB
 &rst iat=568,572,576,571, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=566,578,569,570, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=590,596,594,595, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=587,593,591,592, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=580,600,583,584, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=612,606,610,611, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=609,603,607,608, &end
#
#  chirality for residue 40 atoms:  CG N HD2 HD3
 &rst iat=606,602,604,605, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=602,614,613,609, &end
#
#  chirality for residue 41 atoms:  CA SG HB2 HB3
 &rst iat=618,623,621,622, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=616,624,619,620, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=630,636,634,635, &end
#
#  chirality for residue 42 atoms:  CG NE HD2 HD3
 &rst iat=633,639,637,638, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=626,648,629,630, &end
#
#  chirality for residue 43 atoms:  CA CG2 CG1 HB
 &rst iat=652,656,660,655, &end
#
#  chirality for residue 43 atoms:  CB CD1 HG12 HG13
 &rst iat=654,663,661,662, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=650,667,653,654, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=679,673,677,678, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=676,670,674,675, &end
#
#  chirality for residue 44 atoms:  CG N HD2 HD3
 &rst iat=673,669,671,672, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=669,681,680,676, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=685,689,693,688, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=683,697,686,687, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=701,706,704,705, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=703,709,707,708, &end
#
#  chirality for residue 46 atoms:  CG NE HD2 HD3
 &rst iat=706,712,710,711, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=699,721,702,703, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=723,731,726,727, &end
#
#  chirality for residue 48 atoms:  CA CG1 CG2 HB
 &rst iat=735,739,743,738, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=733,747,736,737, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=749,757,752,753, &end
#
#  chirality for residue 51 atoms:  N C HA2 HA3
 &rst iat=776,781,779,780, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=783,791,786,787, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=803,797,801,802, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=800,794,798,799, &end
#
#  chirality for residue 53 atoms:  CG N HD2 HD3
 &rst iat=797,793,795,796, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=793,805,804,800, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=809,814,812,813, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=807,817,810,811, &end
#
#  chirality for residue 55 atoms:  CA CG1 CG2 HB
 &rst iat=821,825,829,824, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=819,833,822,823, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=837,842,840,841, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=835,845,838,839, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=849,853,857,852, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=847,861,850,851, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=863,871,866,867, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=875,880,878,879, &end
#
#  chirality for residue 59 atoms:  CB SD HG2 HG3
 &rst iat=877,883,881,882, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=873,888,876,877, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=892,897,895,896, &end
#
#  chirality for residue 60 atoms:  CB CD1 CD2 HG
 &rst iat=894,899,903,898, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=890,907,893,894, &end
#
#  chirality for residue 61 atoms:  CA CG2 CG1 HB
 &rst iat=911,915,919,914, &end
#
#  chirality for residue 61 atoms:  CB CD1 HG12 HG13
 &rst iat=913,922,920,921, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=909,926,912,913, &end
#
#  chirality for residue 62 atoms:  CA CG2 OG1 HB
 &rst iat=930,934,938,933, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=928,940,931,932, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=952,946,950,951, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=949,943,947,948, &end
#
#  chirality for residue 63 atoms:  CG N HD2 HD3
 &rst iat=946,942,944,945, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=942,954,953,949, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=958,963,961,962, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=956,968,959,960, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=980,974,978,979, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=977,971,975,976, &end
#
#  chirality for residue 65 atoms:  CG N HD2 HD3
 &rst iat=974,970,972,973, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=970,982,981,977, &end
#
#  chirality for residue 66 atoms:  CA CG2 OG1 HB
 &rst iat=986,990,994,989, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=984,996,987,988, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1000,1005,1003,1004, &end
#
#  chirality for residue 67 atoms:  CB SD HG2 HG3
 &rst iat=1002,1008,1006,1007, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=998,1013,1001,1002, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1017,1022,1020,1021, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1019,1025,1023,1024, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1015,1028,1018,1019, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1032,1037,1035,1036, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1030,1042,1033,1034, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1046,1051,1049,1050, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1044,1056,1047,1048, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1058,1063,1061,1062, &end
#
#  chirality for residue 72 atoms:  N C HA2 HA3
 &rst iat=1065,1070,1068,1069, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1072,1077,1075,1076, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1081,1086,1084,1085, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1079,1097,1082,1083, &end
#
#  chirality for residue 75 atoms:  CA CG2 CG1 HB
 &rst iat=1101,1105,1109,1104, &end
#
#  chirality for residue 75 atoms:  CB CD1 HG12 HG13
 &rst iat=1103,1112,1110,1111, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1099,1116,1102,1103, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1120,1125,1123,1124, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1122,1128,1126,1127, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1118,1131,1121,1122, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1135,1140,1138,1139, &end
#
#  chirality for residue 77 atoms:  CB SD HG2 HG3
 &rst iat=1137,1143,1141,1142, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1133,1148,1136,1137, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1152,1157,1155,1156, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1154,1160,1158,1159, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1150,1165,1153,1154, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1169,1174,1172,1173, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1171,1176,1180,1175, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1167,1184,1170,1171, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1196,1190,1194,1195, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1193,1187,1191,1192, &end
#
#  chirality for residue 80 atoms:  CG N HD2 HD3
 &rst iat=1190,1186,1188,1189, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1186,1198,1197,1193, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1210,1204,1208,1209, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1207,1201,1205,1206, &end
#
#  chirality for residue 81 atoms:  CG N HD2 HD3
 &rst iat=1204,1200,1202,1203, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1200,1212,1211,1207, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1223,1228,1226,1227, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1221,1231,1224,1225, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1235,1240,1238,1239, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1233,1245,1236,1237, &end
#
#  chirality for residue 85 atoms:  CA CG2 CG1 HB
 &rst iat=1249,1253,1257,1252, &end
#
#  chirality for residue 85 atoms:  CB CD1 HG12 HG13
 &rst iat=1251,1260,1258,1259, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1247,1264,1250,1251, &end
#
#  chirality for residue 86 atoms:  CA CG2 CG1 HB
 &rst iat=1268,1272,1276,1271, &end
#
#  chirality for residue 86 atoms:  CB CD1 HG12 HG13
 &rst iat=1270,1279,1277,1278, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1266,1283,1269,1270, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1287,1292,1290,1291, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1285,1304,1288,1289, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1308,1312,1316,1311, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1306,1320,1309,1310, &end
#
#  chirality for residue 89 atoms:  N C HA2 HA3
 &rst iat=1322,1327,1325,1326, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1331,1336,1334,1335, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1333,1339,1337,1338, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1329,1342,1332,1333, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1346,1351,1349,1350, &end
#
#  chirality for residue 91 atoms:  CB CD1 CD2 HG
 &rst iat=1348,1353,1357,1352, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1344,1361,1347,1348, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1365,1370,1368,1369, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1367,1373,1371,1372, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1373,1379,1377,1378, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1370,1376,1374,1375, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1363,1383,1366,1367, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1404,1409,1407,1408, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1406,1412,1410,1411, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1402,1417,1405,1406, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1421,1426,1424,1425, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1419,1441,1422,1423, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1443,1461,1446,1447, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1467,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1463,1478,1466,1467, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1482,1487,1485,1486, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1484,1490,1488,1489, &end
#
#  chirality for residue 98 atoms:  CD NZ HE2 HE3
 &rst iat=1490,1496,1494,1495, &end
#
#  chirality for residue 98 atoms:  CG CE HD2 HD3
 &rst iat=1487,1493,1491,1492, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1480,1500,1483,1484, &end
#
#  chirality for residue 99 atoms:  N C HA2 HA3
 &rst iat=1502,1507,1505,1506, &end
#
#  trans-omega constraint for residue 2
 &rst iat=24,22,20,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=35,33,31,24, &end
#
#  trans-omega constraint for residue 4
 &rst iat=57,55,53,35, &end
#
#  trans-omega constraint for residue 5
 &rst iat=64,62,60,57, &end
#
#  trans-omega constraint for residue 6
 &rst iat=83,81,79,64, &end
#
#  trans-omega constraint for residue 7
 &rst iat=97,95,93,83, &end
#
#  trans-omega constraint for residue 8
 &rst iat=118,116,114,97, &end
#
#  trans-omega constraint for residue 9
 &rst iat=132,130,128,118, &end
#
#  trans-omega constraint for residue 10
 &rst iat=149,147,145,132, &end
#
#  trans-omega constraint for residue 11
 &rst iat=159,157,155,149, &end
#
#  trans-omega constraint for residue 12
 &rst iat=171,169,167,159, &end
#
#  trans-omega constraint for residue 13
 &rst iat=193,191,189,171, &end
#
#  trans-omega constraint for residue 14
 &rst iat=203,201,199,193, &end
#
#  trans-omega constraint for residue 15
 &rst iat=225,223,221,203, &end
#
#  trans-omega constraint for residue 16
 &rst iat=245,243,241,225, &end
#
#  trans-omega constraint for residue 17
 &rst iat=259,257,255,245, &end
#
#  trans-omega constraint for residue 18
 &rst iat=283,281,279,259, &end
#
#  trans-omega constraint for residue 19
 &rst iat=305,303,301,283, &end
#
#  trans-omega constraint for residue 20
 &rst iat=329,327,325,305, &end
#
#  trans-omega constraint for residue 21
 &rst iat=347,337,335,329, &end
#
#  trans-omega constraint for residue 22
 &rst iat=353,351,349,347, &end
#
#  trans-omega constraint for residue 23
 &rst iat=367,365,363,353, &end
#
#  trans-omega constraint for residue 24
 &rst iat=379,377,375,367, &end
#
#  trans-omega constraint for residue 25
 &rst iat=390,388,386,379, &end
#
#  trans-omega constraint for residue 26
 &rst iat=397,395,393,390, &end
#
#  trans-omega constraint for residue 27
 &rst iat=414,412,410,397, &end
#
#  trans-omega constraint for residue 28
 &rst iat=426,424,422,414, &end
#
#  trans-omega constraint for residue 29
 &rst iat=440,438,436,426, &end
#
#  trans-omega constraint for residue 30
 &rst iat=456,454,452,440, &end
#
#  trans-omega constraint for residue 31
 &rst iat=472,470,468,456, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,472, &end
#
#  trans-omega constraint for residue 33
 &rst iat=504,502,500,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=520,518,516,504, &end
#
#  trans-omega constraint for residue 35
 &rst iat=530,528,526,520, &end
#
#  trans-omega constraint for residue 36
 &rst iat=550,548,546,530, &end
#
#  trans-omega constraint for residue 37
 &rst iat=561,559,557,550, &end
#
#  trans-omega constraint for residue 38
 &rst iat=568,566,564,561, &end
#
#  trans-omega constraint for residue 39
 &rst iat=582,580,578,568, &end
#
#  trans-omega constraint for residue 41
 &rst iat=618,616,614,612, &end
#
#  trans-omega constraint for residue 42
 &rst iat=628,626,624,618, &end
#
#  trans-omega constraint for residue 43
 &rst iat=652,650,648,628, &end
#
#  trans-omega constraint for residue 44
 &rst iat=679,669,667,652, &end
#
#  trans-omega constraint for residue 45
 &rst iat=685,683,681,679, &end
#
#  trans-omega constraint for residue 46
 &rst iat=701,699,697,685, &end
#
#  trans-omega constraint for residue 47
 &rst iat=725,723,721,701, &end
#
#  trans-omega constraint for residue 48
 &rst iat=735,733,731,725, &end
#
#  trans-omega constraint for residue 49
 &rst iat=751,749,747,735, &end
#
#  trans-omega constraint for residue 50
 &rst iat=761,759,757,751, &end
#
#  trans-omega constraint for residue 51
 &rst iat=778,776,774,761, &end
#
#  trans-omega constraint for residue 52
 &rst iat=785,783,781,778, &end
#
#  trans-omega constraint for residue 53
 &rst iat=803,793,791,785, &end
#
#  trans-omega constraint for residue 54
 &rst iat=809,807,805,803, &end
#
#  trans-omega constraint for residue 55
 &rst iat=821,819,817,809, &end
#
#  trans-omega constraint for residue 56
 &rst iat=837,835,833,821, &end
#
#  trans-omega constraint for residue 57
 &rst iat=849,847,845,837, &end
#
#  trans-omega constraint for residue 58
 &rst iat=865,863,861,849, &end
#
#  trans-omega constraint for residue 59
 &rst iat=875,873,871,865, &end
#
#  trans-omega constraint for residue 60
 &rst iat=892,890,888,875, &end
#
#  trans-omega constraint for residue 61
 &rst iat=911,909,907,892, &end
#
#  trans-omega constraint for residue 62
 &rst iat=930,928,926,911, &end
#
#  trans-omega constraint for residue 63
 &rst iat=952,942,940,930, &end
#
#  trans-omega constraint for residue 64
 &rst iat=958,956,954,952, &end
#
#  trans-omega constraint for residue 65
 &rst iat=980,970,968,958, &end
#
#  trans-omega constraint for residue 66
 &rst iat=986,984,982,980, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1000,998,996,986, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1017,1015,1013,1000, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1032,1030,1028,1017, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1046,1044,1042,1032, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1060,1058,1056,1046, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1067,1065,1063,1060, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1074,1072,1070,1067, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1081,1079,1077,1074, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1101,1099,1097,1081, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1120,1118,1116,1101, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1135,1133,1131,1120, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1152,1150,1148,1135, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1169,1167,1165,1152, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1196,1186,1184,1169, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1210,1200,1198,1196, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1216,1214,1212,1210, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1223,1221,1219,1216, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1235,1233,1231,1223, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1249,1247,1245,1235, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1268,1266,1264,1249, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1287,1285,1283,1268, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1308,1306,1304,1287, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1324,1322,1320,1308, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1331,1329,1327,1324, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1346,1344,1342,1331, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1365,1363,1361,1346, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1387,1385,1383,1365, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1404,1402,1400,1387, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1421,1419,1417,1404, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1445,1443,1441,1421, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1465,1463,1461,1445, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1482,1480,1478,1465, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1504,1502,1500,1482, &end
#
#  CIS-omega constraint for residue 40


 &rst iat=612,602,600,582,
   r1=-30., r2=-10., r3= 10., r4= 30., rk2 = 50., rk3=50.,  &end
#
iat(1) =  15     , iat(2) =  16     ,
 iat(3) =  16     , iat(4) =  16     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -191.1 , r2 =  -161.1 , r3 =  -101.1, r4 =    -71.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  16     , iat(2) =  16     ,
 iat(3) =  16     , iat(4) =  17     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    91.8 , r2 =   121.8 , r3 =   181.8 , r4 =    211.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  16     , iat(2) =  17     ,
 iat(3) =  17     , iat(4) =  17     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -143.2 , r2 =  -113.2 , r3 =   -53.2, r4 =    -23.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  17     , iat(2) =  17     ,
 iat(3) =  17     , iat(4) =  18     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.8 , r2 =   103.8 , r3 =   163.8 , r4 =    193.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  17     , iat(2) =  18     ,
 iat(3) =  18     , iat(4) =  18     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -141.0 , r2 =  -111.0 , r3 =   -51.0, r4 =    -21.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  18     , iat(2) =  18     ,
 iat(3) =  18     , iat(4) =  19     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -84.0 , r2 =   -54.0 , r3 =     6.0 , r4 =     36.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  18     , iat(2) =  19     ,
 iat(3) =  19     , iat(4) =  19     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.0 , r2 =  -143.0 , r3 =   -83.0, r4 =    -53.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  19     , iat(2) =  19     ,
 iat(3) =  19     , iat(4) =  20     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.0 , r2 =   106.0 , r3 =   166.0 , r4 =    196.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  19     , iat(2) =  20     ,
 iat(3) =  20     , iat(4) =  20     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -142.0 , r2 =  -112.0 , r3 =   -52.0, r4 =    -22.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  20     , iat(2) =  20     ,
 iat(3) =  20     , iat(4) =  21     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    75.0 , r2 =   105.0 , r3 =   165.0 , r4 =    195.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  20     , iat(2) =  21     ,
 iat(3) =  21     , iat(4) =  21     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -135.0 , r2 =  -105.0 , r3 =   -45.0, r4 =    -15.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  21     , iat(2) =  21     ,
 iat(3) =  21     , iat(4) =  22     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    89.0 , r2 =   119.0 , r3 =   179.0 , r4 =    209.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  21     , iat(2) =  22     ,
 iat(3) =  22     , iat(4) =  22     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.4 , r2 =  -150.4 , r3 =   -90.4, r4 =    -60.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  22     , iat(2) =  22     ,
 iat(3) =  22     , iat(4) =  23     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.2 , r2 =   108.2 , r3 =   168.2 , r4 =    198.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  22     , iat(2) =  23     ,
 iat(3) =  23     , iat(4) =  23     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -148.2 , r2 =  -118.2 , r3 =   -58.2, r4 =    -28.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  23     , iat(2) =  23     ,
 iat(3) =  23     , iat(4) =  24     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    71.9 , r2 =   101.9 , r3 =   161.9 , r4 =    191.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  23     , iat(2) =  24     ,
 iat(3) =  24     , iat(4) =  24     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -142.0 , r2 =  -112.0 , r3 =   -52.0, r4 =    -22.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  24     , iat(2) =  24     ,
 iat(3) =  24     , iat(4) =  25     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -88.0 , r2 =   -58.0 , r3 =     2.0 , r4 =     32.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  24     , iat(2) =  25     ,
 iat(3) =  25     , iat(4) =  25     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    22.0 , r2 =    52.0 , r3 =   112.0, r4 =    142.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  25     , iat(2) =  25     ,
 iat(3) =  25     , iat(4) =  26     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -49.0 , r2 =   -19.0 , r3 =    41.0 , r4 =     71.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  25     , iat(2) =  26     ,
 iat(3) =  26     , iat(4) =  26     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -157.0 , r2 =  -127.0 , r3 =   -67.0, r4 =    -37.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  26     , iat(2) =  26     ,
 iat(3) =  26     , iat(4) =  27     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -55.0 , r2 =   -25.0 , r3 =    35.0 , r4 =     65.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  26     , iat(2) =  27     ,
 iat(3) =  27     , iat(4) =  27     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    -5.0 , r2 =    25.0 , r3 =    85.0, r4 =    115.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  27     , iat(2) =  27     ,
 iat(3) =  27     , iat(4) =  28     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -15.0 , r2 =    15.0 , r3 =    75.0 , r4 =    105.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  27     , iat(2) =  28     ,
 iat(3) =  28     , iat(4) =  28     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -189.6 , r2 =  -159.6 , r3 =   -99.6, r4 =    -69.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  28     , iat(2) =  28     ,
 iat(3) =  28     , iat(4) =  29     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    97.4 , r2 =   127.4 , r3 =   187.4 , r4 =    217.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  28     , iat(2) =  29     ,
 iat(3) =  29     , iat(4) =  29     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -169.8 , r2 =  -139.8 , r3 =   -79.8, r4 =    -49.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  29     , iat(2) =  29     ,
 iat(3) =  29     , iat(4) =  30     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.4 , r2 =   102.4 , r3 =   162.4 , r4 =    192.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  29     , iat(2) =  30     ,
 iat(3) =  30     , iat(4) =  30     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -194.9 , r2 =  -164.9 , r3 =  -104.9, r4 =    -74.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  30     , iat(2) =  30     ,
 iat(3) =  30     , iat(4) =  31     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    97.0 , r2 =   127.0 , r3 =   187.0 , r4 =    217.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  30     , iat(2) =  31     ,
 iat(3) =  31     , iat(4) =  31     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -203.7 , r2 =  -173.7 , r3 =  -113.7, r4 =    -83.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  31     , iat(2) =  31     ,
 iat(3) =  31     , iat(4) =  32     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   100.1 , r2 =   130.1 , r3 =   190.1 , r4 =    220.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  31     , iat(2) =  32     ,
 iat(3) =  32     , iat(4) =  32     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -188.4 , r2 =  -158.4 , r3 =   -98.4, r4 =    -68.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  32     , iat(2) =  32     ,
 iat(3) =  32     , iat(4) =  33     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    84.9 , r2 =   114.9 , r3 =   174.9 , r4 =    204.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  32     , iat(2) =  33     ,
 iat(3) =  33     , iat(4) =  33     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -188.4 , r2 =  -158.4 , r3 =   -98.4, r4 =    -68.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  33     , iat(2) =  33     ,
 iat(3) =  33     , iat(4) =  34     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    88.5 , r2 =   118.5 , r3 =   178.5 , r4 =    208.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  33     , iat(2) =  34     ,
 iat(3) =  34     , iat(4) =  34     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -181.4 , r2 =  -151.4 , r3 =   -91.4, r4 =    -61.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  34     , iat(2) =  34     ,
 iat(3) =  34     , iat(4) =  35     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.4 , r2 =   110.4 , r3 =   170.4 , r4 =    200.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  34     , iat(2) =  35     ,
 iat(3) =  35     , iat(4) =  35     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -190.3 , r2 =  -160.3 , r3 =  -100.3, r4 =    -70.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  35     , iat(2) =  35     ,
 iat(3) =  35     , iat(4) =  36     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.3 , r2 =   108.3 , r3 =   168.3 , r4 =    198.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  35     , iat(2) =  36     ,
 iat(3) =  36     , iat(4) =  36     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -162.0 , r2 =  -132.0 , r3 =   -72.0, r4 =    -42.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  36     , iat(2) =  36     ,
 iat(3) =  36     , iat(4) =  37     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -97.0 , r2 =   -67.0 , r3 =    -7.0 , r4 =     23.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  37     , iat(2) =  38     ,
 iat(3) =  38     , iat(4) =  38     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -145.0 , r2 =  -115.0 , r3 =   -55.0, r4 =    -25.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  38     , iat(2) =  38     ,
 iat(3) =  38     , iat(4) =  39     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.0 , r2 =   102.0 , r3 =   162.0 , r4 =    192.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  38     , iat(2) =  39     ,
 iat(3) =  39     , iat(4) =  39     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.0 , r2 =  -137.0 , r3 =   -77.0, r4 =    -47.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  39     , iat(2) =  39     ,
 iat(3) =  39     , iat(4) =  40     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.0 , r2 =   100.0 , r3 =   160.0 , r4 =    190.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  39     , iat(2) =  40     ,
 iat(3) =  40     , iat(4) =  40     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -164.0 , r2 =  -134.0 , r3 =   -74.0, r4 =    -44.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  40     , iat(2) =  40     ,
 iat(3) =  40     , iat(4) =  41     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.0 , r2 =   110.0 , r3 =   170.0 , r4 =    200.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  40     , iat(2) =  41     ,
 iat(3) =  41     , iat(4) =  41     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -200.0 , r2 =  -170.0 , r3 =  -110.0, r4 =    -80.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  41     , iat(2) =  41     ,
 iat(3) =  41     , iat(4) =  42     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    92.0 , r2 =   122.0 , r3 =   182.0 , r4 =    212.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  41     , iat(2) =  42     ,
 iat(3) =  42     , iat(4) =  42     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.0 , r2 =  -131.0 , r3 =   -71.0, r4 =    -41.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  42     , iat(2) =  42     ,
 iat(3) =  42     , iat(4) =  43     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.0 , r2 =   100.0 , r3 =   160.0 , r4 =    190.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  42     , iat(2) =  43     ,
 iat(3) =  43     , iat(4) =  43     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -153.0 , r2 =  -123.0 , r3 =   -63.0, r4 =    -33.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  43     , iat(2) =  43     ,
 iat(3) =  43     , iat(4) =  44     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    62.0 , r2 =    92.0 , r3 =   152.0 , r4 =    182.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  43     , iat(2) =  44     ,
 iat(3) =  44     , iat(4) =  44     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.3 , r2 =  -131.3 , r3 =   -71.3, r4 =    -41.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  44     , iat(2) =  44     ,
 iat(3) =  44     , iat(4) =  45     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    58.8 , r2 =    88.8 , r3 =   148.8 , r4 =    178.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  44     , iat(2) =  45     ,
 iat(3) =  45     , iat(4) =  45     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.5 , r2 =  -150.5 , r3 =   -90.5, r4 =    -60.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  45     , iat(2) =  45     ,
 iat(3) =  45     , iat(4) =  46     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    79.8 , r2 =   109.8 , r3 =   169.8 , r4 =    199.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  45     , iat(2) =  46     ,
 iat(3) =  46     , iat(4) =  46     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -192.2 , r2 =  -162.2 , r3 =  -102.2, r4 =    -72.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  46     , iat(2) =  46     ,
 iat(3) =  46     , iat(4) =  47     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    87.0 , r2 =   117.0 , r3 =   177.0 , r4 =    207.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  46     , iat(2) =  47     ,
 iat(3) =  47     , iat(4) =  47     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -193.5 , r2 =  -163.5 , r3 =  -103.5, r4 =    -73.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  47     , iat(2) =  47     ,
 iat(3) =  47     , iat(4) =  48     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    90.5 , r2 =   120.5 , r3 =   180.5 , r4 =    210.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  47     , iat(2) =  48     ,
 iat(3) =  48     , iat(4) =  48     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -192.0 , r2 =  -162.0 , r3 =  -102.0, r4 =    -72.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  48     , iat(2) =  48     ,
 iat(3) =  48     , iat(4) =  49     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    86.5 , r2 =   116.5 , r3 =   176.5 , r4 =    206.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  48     , iat(2) =  49     ,
 iat(3) =  49     , iat(4) =  49     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.6 , r2 =  -116.6 , r3 =   -56.6, r4 =    -26.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  49     , iat(2) =  49     ,
 iat(3) =  49     , iat(4) =  50     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    83.5 , r2 =   113.5 , r3 =   173.5 , r4 =    203.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  49     , iat(2) =  50     ,
 iat(3) =  50     , iat(4) =  50     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -120.0 , r2 =   -90.0 , r3 =   -30.0, r4 =      0.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  50     , iat(2) =  50     ,
 iat(3) =  50     , iat(4) =  51     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.0 , r2 =   103.0 , r3 =   163.0 , r4 =    193.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  50     , iat(2) =  51     ,
 iat(3) =  51     , iat(4) =  51     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    39.0 , r2 =    69.0 , r3 =   129.0, r4 =    159.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  51     , iat(2) =  51     ,
 iat(3) =  51     , iat(4) =  52     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -82.0 , r2 =   -52.0 , r3 =     8.0 , r4 =     38.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  51     , iat(2) =  52     ,
 iat(3) =  52     , iat(4) =  52     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -163.0 , r2 =  -133.0 , r3 =   -73.0, r4 =    -43.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  52     , iat(2) =  52     ,
 iat(3) =  52     , iat(4) =  53     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    69.0 , r2 =    99.0 , r3 =   159.0 , r4 =    189.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  52     , iat(2) =  53     ,
 iat(3) =  53     , iat(4) =  53     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -118.0 , r2 =   -88.0 , r3 =   -28.0, r4 =      2.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  53     , iat(2) =  53     ,
 iat(3) =  53     , iat(4) =  54     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -83.0 , r2 =   -53.0 , r3 =     7.0 , r4 =     37.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  53     , iat(2) =  54     ,
 iat(3) =  54     , iat(4) =  54     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.0 , r2 =  -126.0 , r3 =   -66.0, r4 =    -36.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  54     , iat(2) =  54     ,
 iat(3) =  54     , iat(4) =  55     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -65.0 , r2 =   -35.0 , r3 =    25.0 , r4 =     55.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  54     , iat(2) =  55     ,
 iat(3) =  55     , iat(4) =  55     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -163.0 , r2 =  -133.0 , r3 =   -73.0, r4 =    -43.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  55     , iat(2) =  55     ,
 iat(3) =  55     , iat(4) =  56     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.0 , r2 =    98.0 , r3 =   158.0 , r4 =    188.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  55     , iat(2) =  56     ,
 iat(3) =  56     , iat(4) =  56     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -159.0 , r2 =  -129.0 , r3 =   -69.0, r4 =    -39.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  56     , iat(2) =  56     ,
 iat(3) =  56     , iat(4) =  57     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    61.0 , r2 =    91.0 , r3 =   151.0 , r4 =    181.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  56     , iat(2) =  57     ,
 iat(3) =  57     , iat(4) =  57     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -126.0 , r2 =   -96.0 , r3 =   -36.0, r4 =     -6.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  57     , iat(2) =  57     ,
 iat(3) =  57     , iat(4) =  58     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -82.0 , r2 =   -52.0 , r3 =     8.0 , r4 =     38.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  57     , iat(2) =  58     ,
 iat(3) =  58     , iat(4) =  58     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -129.0 , r2 =   -99.0 , r3 =   -39.0, r4 =     -9.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  58     , iat(2) =  58     ,
 iat(3) =  58     , iat(4) =  59     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    73.0 , r2 =   103.0 , r3 =   163.0 , r4 =    193.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  58     , iat(2) =  59     ,
 iat(3) =  59     , iat(4) =  59     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.0 , r2 =  -126.0 , r3 =   -66.0, r4 =    -36.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  59     , iat(2) =  59     ,
 iat(3) =  59     , iat(4) =  60     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.0 , r2 =   102.0 , r3 =   162.0 , r4 =    192.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  59     , iat(2) =  60     ,
 iat(3) =  60     , iat(4) =  60     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -150.0 , r2 =  -120.0 , r3 =   -60.0, r4 =    -30.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  60     , iat(2) =  60     ,
 iat(3) =  60     , iat(4) =  61     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.4 , r2 =    98.4 , r3 =   158.4 , r4 =    188.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  60     , iat(2) =  61     ,
 iat(3) =  61     , iat(4) =  61     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.0 , r2 =  -137.0 , r3 =   -77.0, r4 =    -47.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  61     , iat(2) =  61     ,
 iat(3) =  61     , iat(4) =  62     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -77.0 , r2 =   -47.0 , r3 =    13.0 , r4 =     43.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  61     , iat(2) =  62     ,
 iat(3) =  62     , iat(4) =  62     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -171.9 , r2 =  -141.9 , r3 =   -81.9, r4 =    -51.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  62     , iat(2) =  62     ,
 iat(3) =  62     , iat(4) =  63     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    91.7 , r2 =   121.7 , r3 =   181.7 , r4 =    211.7 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  62     , iat(2) =  63     ,
 iat(3) =  63     , iat(4) =  63     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -138.0 , r2 =  -108.0 , r3 =   -48.0, r4 =    -18.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  63     , iat(2) =  63     ,
 iat(3) =  63     , iat(4) =  64     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    87.0 , r2 =   117.0 , r3 =   177.0 , r4 =    207.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  63     , iat(2) =  64     ,
 iat(3) =  64     , iat(4) =  64     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -190.0 , r2 =  -160.0 , r3 =  -100.0, r4 =    -70.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  64     , iat(2) =  64     ,
 iat(3) =  64     , iat(4) =  65     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    20.0 , r2 =    50.0 , r3 =   110.0 , r4 =    140.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  64     , iat(2) =  65     ,
 iat(3) =  65     , iat(4) =  65     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.2 , r2 =  -116.2 , r3 =   -56.2, r4 =    -26.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  65     , iat(2) =  65     ,
 iat(3) =  65     , iat(4) =  66     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    70.4 , r2 =   100.4 , r3 =   160.4 , r4 =    190.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  65     , iat(2) =  66     ,
 iat(3) =  66     , iat(4) =  66     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.7 , r2 =  -143.7 , r3 =   -83.7, r4 =    -53.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  66     , iat(2) =  66     ,
 iat(3) =  66     , iat(4) =  67     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    86.0 , r2 =   116.0 , r3 =   176.0 , r4 =    206.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  66     , iat(2) =  67     ,
 iat(3) =  67     , iat(4) =  67     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.5 , r2 =  -137.5 , r3 =   -77.5, r4 =    -47.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  67     , iat(2) =  67     ,
 iat(3) =  67     , iat(4) =  68     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    62.4 , r2 =    92.4 , r3 =   152.4 , r4 =    182.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  67     , iat(2) =  68     ,
 iat(3) =  68     , iat(4) =  68     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -172.0 , r2 =  -142.0 , r3 =   -82.0, r4 =    -52.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  68     , iat(2) =  68     ,
 iat(3) =  68     , iat(4) =  69     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    85.0 , r2 =   115.0 , r3 =   175.0 , r4 =    205.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  68     , iat(2) =  69     ,
 iat(3) =  69     , iat(4) =  69     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -123.0 , r2 =   -93.0 , r3 =   -33.0, r4 =     -3.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  69     , iat(2) =  69     ,
 iat(3) =  69     , iat(4) =  70     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -87.0 , r2 =   -57.0 , r3 =     3.0 , r4 =     33.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  69     , iat(2) =  70     ,
 iat(3) =  70     , iat(4) =  70     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.7 , r2 =  -126.7 , r3 =   -66.7, r4 =    -36.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  70     , iat(2) =  70     ,
 iat(3) =  70     , iat(4) =  71     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -57.6 , r2 =   -27.6 , r3 =    32.4 , r4 =     62.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  72     , iat(2) =  73     ,
 iat(3) =  73     , iat(4) =  73     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =    21.0 , r2 =    51.0 , r3 =   111.0, r4 =    141.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  73     , iat(2) =  73     ,
 iat(3) =  73     , iat(4) =  74     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -56.0 , r2 =   -26.0 , r3 =    34.0 , r4 =     64.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  73     , iat(2) =  74     ,
 iat(3) =  74     , iat(4) =  74     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.5 , r2 =  -126.5 , r3 =   -66.5, r4 =    -36.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  74     , iat(2) =  74     ,
 iat(3) =  74     , iat(4) =  75     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    79.1 , r2 =   109.1 , r3 =   169.1 , r4 =    199.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  74     , iat(2) =  75     ,
 iat(3) =  75     , iat(4) =  75     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -180.9 , r2 =  -150.9 , r3 =   -90.9, r4 =    -60.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  75     , iat(2) =  75     ,
 iat(3) =  75     , iat(4) =  76     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    77.3 , r2 =   107.3 , r3 =   167.3 , r4 =    197.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  75     , iat(2) =  76     ,
 iat(3) =  76     , iat(4) =  76     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -174.1 , r2 =  -144.1 , r3 =   -84.1, r4 =    -54.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  76     , iat(2) =  76     ,
 iat(3) =  76     , iat(4) =  77     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.2 , r2 =   104.2 , r3 =   164.2 , r4 =    194.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  76     , iat(2) =  77     ,
 iat(3) =  77     , iat(4) =  77     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -191.8 , r2 =  -161.8 , r3 =  -101.8, r4 =    -71.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  77     , iat(2) =  77     ,
 iat(3) =  77     , iat(4) =  78     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    81.4 , r2 =   111.4 , r3 =   171.4 , r4 =    201.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  77     , iat(2) =  78     ,
 iat(3) =  78     , iat(4) =  78     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.4 , r2 =  -143.4 , r3 =   -83.4, r4 =    -53.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  78     , iat(2) =  78     ,
 iat(3) =  78     , iat(4) =  79     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    72.8 , r2 =   102.8 , r3 =   162.8 , r4 =    192.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  78     , iat(2) =  79     ,
 iat(3) =  79     , iat(4) =  79     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.3 , r2 =  -154.3 , r3 =   -94.3, r4 =    -64.3 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  79     , iat(2) =  79     ,
 iat(3) =  79     , iat(4) =  80     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    60.2 , r2 =    90.2 , r3 =   150.2 , r4 =    180.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  79     , iat(2) =  80     ,
 iat(3) =  80     , iat(4) =  80     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -120.2 , r2 =   -90.2 , r3 =   -30.2, r4 =     -0.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  80     , iat(2) =  80     ,
 iat(3) =  80     , iat(4) =  81     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.4 , r2 =   108.4 , r3 =   168.4 , r4 =    198.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  80     , iat(2) =  81     ,
 iat(3) =  81     , iat(4) =  81     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -123.0 , r2 =   -93.0 , r3 =   -33.0, r4 =     -3.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  81     , iat(2) =  81     ,
 iat(3) =  81     , iat(4) =  82     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    77.0 , r2 =   107.0 , r3 =   167.0 , r4 =    197.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  82     , iat(2) =  83     ,
 iat(3) =  83     , iat(4) =  83     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -149.5 , r2 =  -119.5 , r3 =   -59.5, r4 =    -29.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  83     , iat(2) =  83     ,
 iat(3) =  83     , iat(4) =  84     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.0 , r2 =   104.0 , r3 =   164.0 , r4 =    194.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  83     , iat(2) =  84     ,
 iat(3) =  84     , iat(4) =  84     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.7 , r2 =  -154.7 , r3 =   -94.7, r4 =    -64.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  84     , iat(2) =  84     ,
 iat(3) =  84     , iat(4) =  85     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    80.1 , r2 =   110.1 , r3 =   170.1 , r4 =    200.1 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  84     , iat(2) =  85     ,
 iat(3) =  85     , iat(4) =  85     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -176.4 , r2 =  -146.4 , r3 =   -86.5, r4 =    -56.5 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  85     , iat(2) =  85     ,
 iat(3) =  85     , iat(4) =  86     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    68.3 , r2 =    98.3 , r3 =   158.3 , r4 =    188.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  85     , iat(2) =  86     ,
 iat(3) =  86     , iat(4) =  86     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -174.2 , r2 =  -144.2 , r3 =   -84.2, r4 =    -54.2 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  86     , iat(2) =  86     ,
 iat(3) =  86     , iat(4) =  87     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.3 , r2 =   106.3 , r3 =   166.3 , r4 =    196.3 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  86     , iat(2) =  87     ,
 iat(3) =  87     , iat(4) =  87     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -167.4 , r2 =  -137.4 , r3 =   -77.4, r4 =    -47.4 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  87     , iat(2) =  87     ,
 iat(3) =  87     , iat(4) =  88     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    74.9 , r2 =   104.9 , r3 =   164.9 , r4 =    194.9 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  87     , iat(2) =  88     ,
 iat(3) =  88     , iat(4) =  88     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -146.0 , r2 =  -116.0 , r3 =   -56.0, r4 =    -26.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  88     , iat(2) =  88     ,
 iat(3) =  88     , iat(4) =  89     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    76.0 , r2 =   106.0 , r3 =   166.0 , r4 =    196.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  89     , iat(2) =  90     ,
 iat(3) =  90     , iat(4) =  90     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -147.0 , r2 =  -117.0 , r3 =   -57.0, r4 =    -27.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  90     , iat(2) =  90     ,
 iat(3) =  90     , iat(4) =  91     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =   -76.0 , r2 =   -46.0 , r3 =    14.0 , r4 =     44.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  90     , iat(2) =  91     ,
 iat(3) =  91     , iat(4) =  91     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -137.0 , r2 =  -107.0 , r3 =   -47.0, r4 =    -17.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  91     , iat(2) =  91     ,
 iat(3) =  91     , iat(4) =  92     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    75.0 , r2 =   105.0 , r3 =   165.0 , r4 =    195.0 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  91     , iat(2) =  92     ,
 iat(3) =  92     , iat(4) =  92     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -184.8 , r2 =  -154.8 , r3 =   -94.8, r4 =    -64.8 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  92     , iat(2) =  92     ,
 iat(3) =  92     , iat(4) =  93     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    83.8 , r2 =   113.8 , r3 =   173.8 , r4 =    203.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  92     , iat(2) =  93     ,
 iat(3) =  93     , iat(4) =  93     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -196.0 , r2 =  -166.0 , r3 =  -106.0, r4 =    -76.0 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  93     , iat(2) =  93     ,
 iat(3) =  93     , iat(4) =  94     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    78.4 , r2 =   108.4 , r3 =   168.4 , r4 =    198.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  93     , iat(2) =  94     ,
 iat(3) =  94     , iat(4) =  94     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -153.6 , r2 =  -123.6 , r3 =   -63.6, r4 =    -33.6 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  94     , iat(2) =  94     ,
 iat(3) =  94     , iat(4) =  95     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    71.7 , r2 =   101.7 , r3 =   161.7 , r4 =    191.7 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  94     , iat(2) =  95     ,
 iat(3) =  95     , iat(4) =  95     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -173.1 , r2 =  -143.1 , r3 =   -83.1, r4 =    -53.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  95     , iat(2) =  95     ,
 iat(3) =  95     , iat(4) =  96     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    63.8 , r2 =    93.8 , r3 =   153.8 , r4 =    183.8 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  95     , iat(2) =  96     ,
 iat(3) =  96     , iat(4) =  96     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -157.9 , r2 =  -127.9 , r3 =   -67.9, r4 =    -37.9 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  96     , iat(2) =  96     ,
 iat(3) =  96     , iat(4) =  97     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    67.4 , r2 =    97.4 , r3 =   157.4 , r4 =    187.4 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  96     , iat(2) =  97     ,
 iat(3) =  97     , iat(4) =  97     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -161.1 , r2 =  -131.1 , r3 =   -71.1, r4 =    -41.1 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  97     , iat(2) =  97     ,
 iat(3) =  97     , iat(4) =  98     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    60.5 , r2 =    90.5 , r3 =   150.5 , r4 =    180.5 ,
 rk2 = 200.0, rk3 = 200.0
 &end

 &rst 
 iat(1) =  97     , iat(2) =  98     ,
 iat(3) =  98     , iat(4) =  98     ,
 atnam(1) = 'C   ' , atnam(2) = 'N   ' , atnam(3) = 'CA  ' ,
 atnam(4) = 'C   ' , iresid = 1,
 r1  =  -156.7 , r2 =  -126.7 , r3 =   -66.7, r4 =    -36.7 , 
 rk2 = 200.0, rk3 = 200.0,
 &end

 &rst 
 iat(1) =  98     , iat(2) =  98     ,
 iat(3) =  98     , iat(4) =  99     ,
 atnam(1) = 'N   ' , atnam(2) = 'CA  ' , atnam(3) = 'C   ' ,
 atnam(4) = 'N   ' , iresid = 1,
 r1  =    65.2 , r2 =    95.2 , r3 =   155.2 , r4 =    185.2 ,
 rk2 = 200.0, rk3 = 200.0
 &end
  
Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1           H1       ILE   1 -11.426  46.377  -9.130
    2   2H    ILE   1           H2       ILE   1 -10.479  45.477  -8.177
    3   3H    ILE   1           H3       ILE   1 -10.829  44.952  -9.713
    4    HA   ILE   1           HA       ILE   1 -12.059  43.790  -7.902
    5    HB   ILE   1           HB       ILE   1 -13.559  46.426  -7.737
    6   1HG1  ILE   1          2HG1      ILE   1 -11.513  46.744  -6.527
    7   2HG1  ILE   1          3HG1      ILE   1 -12.833  46.556  -5.398
    8   1HG2  ILE   1          1HG2      ILE   1 -13.979  43.772  -6.285
    9   2HG2  ILE   1          2HG2      ILE   1 -14.799  45.295  -5.895
   10   3HG2  ILE   1          3HG2      ILE   1 -15.074  44.532  -7.456
   11   1HD1  ILE   1          1HD1      ILE   1 -10.784  44.398  -6.092
   12   2HD1  ILE   1          2HD1      ILE   1 -10.825  45.386  -4.624
   13   3HD1  ILE   1          3HD1      ILE   1 -12.121  44.220  -4.927
   14    H    SER   2           H        SER   2 -14.059  46.191  -9.803
   15    HA   SER   2           HA       SER   2 -15.925  44.348 -10.555
   16   1HB   SER   2          1HB       SER   2 -16.032  46.446 -12.428
   17   2HB   SER   2          2HB       SER   2 -16.919  46.275 -10.917
   18    HG   SER   2           HG       SER   2 -15.714  48.243 -11.081
   19    H    LYS   3           H        LYS   3 -15.558  42.583 -11.631
   20    HA   LYS   3           HA       LYS   3 -13.718  42.131 -13.776
   21   1HB   LYS   3          1HB       LYS   3 -16.195  40.561 -12.959
   22   2HB   LYS   3          2HB       LYS   3 -14.900  39.950 -13.976
   23   1HG   LYS   3          1HG       LYS   3 -14.414  40.823 -11.083
   24   2HG   LYS   3          2HG       LYS   3 -15.019  39.240 -11.505
   25   1HD   LYS   3          1HD       LYS   3 -12.653  39.088 -11.135
   26   2HD   LYS   3          2HD       LYS   3 -13.036  38.721 -12.811
   27   1HE   LYS   3          HE2       LYS   3 -11.007  40.018 -12.730
   28   2HE   LYS   3          HE3       LYS   3 -12.267  40.953 -13.506
   29   1HZ   LYS   3          HZ1       LYS   3 -11.140  42.384 -12.025
   30   2HZ   LYS   3          HZ2       LYS   3 -12.562  42.085 -11.251
   31   3HZ   LYS   3          HZ3       LYS   3 -11.206  41.315 -10.769
   32    H    GLY   4           H        GLY   4 -13.850  43.266 -15.540
   33   1HA   GLY   4          1HA       GLY   4 -16.304  44.399 -16.525
   34   2HA   GLY   4          2HA       GLY   4 -14.708  44.573 -17.216
   35    H    LEU   5           H        LEU   5 -17.510  42.479 -17.140
   36    HA   LEU   5           HA       LEU   5 -17.168  40.899 -19.432
   37   1HB   LEU   5          1HB       LEU   5 -19.442  42.108 -17.933
   38   2HB   LEU   5          2HB       LEU   5 -19.820  41.789 -19.610
   39    HG   LEU   5           HG       LEU   5 -18.706  39.673 -17.726
   40   1HD1  LEU   5          1HD1      LEU   5 -21.569  40.228 -18.637
   41   2HD1  LEU   5          2HD1      LEU   5 -21.041  38.827 -17.683
   42   3HD1  LEU   5          3HD1      LEU   5 -20.935  40.453 -16.993
   43   1HD2  LEU   5          1HD2      LEU   5 -19.585  38.116 -19.484
   44   2HD2  LEU   5          2HD2      LEU   5 -19.987  39.514 -20.501
   45   3HD2  LEU   5          3HD2      LEU   5 -18.294  39.147 -20.113
   46    H    THR   6           H        THR   6 -17.659  44.388 -19.343
   47    HA   THR   6           HA       THR   6 -17.974  44.540 -22.289
   48    HB   THR   6           HB       THR   6 -18.828  46.835 -21.739
   49    HG1  THR   6           HG1      THR   6 -19.368  47.148 -19.550
   50   1HG2  THR   6          1HG2      THR   6 -20.992  46.088 -20.903
   51   2HG2  THR   6          2HG2      THR   6 -20.367  44.904 -22.063
   52   3HG2  THR   6          3HG2      THR   6 -20.291  44.565 -20.320
   53    H    TYR   7           H        TYR   7 -15.335  44.827 -20.180
   54    HA   TYR   7           HA       TYR   7 -14.282  47.359 -21.133
   55   1HB   TYR   7          1HB       TYR   7 -12.793  44.985 -19.968
   56   2HB   TYR   7          2HB       TYR   7 -12.140  46.599 -20.193
   57    HD1  TYR   7           HD1      TYR   7 -15.245  47.549 -19.001
   58    HD2  TYR   7           HD2      TYR   7 -11.709  45.422 -17.718
   59    HE1  TYR   7           HE1      TYR   7 -15.842  47.957 -16.631
   60    HE2  TYR   7           HE2      TYR   7 -12.333  45.826 -15.340
   61    HH   TYR   7           HH       TYR   7 -14.272  46.269 -14.009
   62    H    THR   8           H        THR   8 -12.767  47.820 -22.734
   63    HA   THR   8           HA       THR   8 -12.599  46.220 -25.049
   64    HB   THR   8           HB       THR   8 -10.608  48.386 -24.279
   65    HG1  THR   8           HG1      THR   8 -12.240  49.809 -25.150
   66   1HG2  THR   8          1HG2      THR   8 -12.003  47.661 -26.903
   67   2HG2  THR   8          2HG2      THR   8 -10.891  49.026 -26.674
   68   3HG2  THR   8          3HG2      THR   8 -10.285  47.378 -26.517
   69    H    MET   9           H        MET   9 -10.675  45.220 -26.014
   70    HA   MET   9           HA       MET   9  -9.358  43.423 -24.234
   71   1HB   MET   9          1HB       MET   9  -8.582  44.088 -27.100
   72   2HB   MET   9          2HB       MET   9  -8.181  42.625 -26.198
   73   1HG   MET   9          1HG       MET   9 -10.920  43.487 -27.187
   74   2HG   MET   9          2HG       MET   9  -9.939  42.144 -27.759
   75   1HE   MET   9          1HE       MET   9 -12.862  41.606 -27.317
   76   2HE   MET   9          2HE       MET   9 -11.707  40.286 -27.621
   77   3HE   MET   9          3HE       MET   9 -12.883  40.149 -26.295
   78    H    CYS  10           H        CYS  10  -7.248  43.259 -23.519
   79    HA   CYS  10           HA       CYS  10  -5.565  45.633 -23.385
   80   1HB   CYS  10          1HB       CYS  10  -4.864  42.754 -22.796
   81   2HB   CYS  10          2HB       CYS  10  -4.015  44.148 -22.221
   82    H    ASP  11           H        ASP  11  -3.400  45.816 -24.198
   83    HA   ASP  11           HA       ASP  11  -2.780  45.006 -26.863
   84   1HB   ASP  11          1HB       ASP  11  -1.966  47.052 -25.771
   85   2HB   ASP  11          2HB       ASP  11  -1.068  46.102 -24.595
   86    H    LYS  12           H        LYS  12  -1.865  43.189 -27.627
   87    HA   LYS  12           HA       LYS  12  -1.547  40.878 -26.036
   88   1HB   LYS  12          1HB       LYS  12  -0.452  41.411 -28.829
   89   2HB   LYS  12          2HB       LYS  12  -0.615  39.829 -28.073
   90   1HG   LYS  12          1HG       LYS  12  -3.138  40.265 -27.914
   91   2HG   LYS  12          2HG       LYS  12  -2.856  41.709 -28.900
   92   1HD   LYS  12          1HD       LYS  12  -3.444  40.093 -30.499
   93   2HD   LYS  12          2HD       LYS  12  -1.677  40.123 -30.581
   94   1HE   LYS  12          HE2       LYS  12  -1.762  38.170 -28.861
   95   2HE   LYS  12          HE3       LYS  12  -3.491  38.069 -29.240
   96   1HZ   LYS  12          HZ1       LYS  12  -2.789  37.729 -31.604
   97   2HZ   LYS  12          HZ2       LYS  12  -1.200  37.776 -31.099
   98   3HZ   LYS  12          HZ3       LYS  12  -2.115  36.572 -30.601
   99    H    ALA  13           H        ALA  13   0.834  43.373 -26.589
  100    HA   ALA  13           HA       ALA  13   3.077  41.476 -25.990
  101   1HB   ALA  13          1HB       ALA  13   3.059  44.216 -27.307
  102   2HB   ALA  13          2HB       ALA  13   4.473  43.157 -27.099
  103   3HB   ALA  13          3HB       ALA  13   3.134  42.648 -28.145
  104    H    LYS  14           H        LYS  14   1.285  43.851 -24.355
  105    HA   LYS  14           HA       LYS  14   3.592  44.914 -22.811
  106   1HB   LYS  14          1HB       LYS  14   0.647  45.621 -22.721
  107   2HB   LYS  14          2HB       LYS  14   1.903  46.479 -21.854
  108   1HG   LYS  14          1HG       LYS  14   1.697  46.222 -24.854
  109   2HG   LYS  14          2HG       LYS  14   1.136  47.610 -23.914
  110   1HD   LYS  14          1HD       LYS  14   3.531  47.954 -23.179
  111   2HD   LYS  14          2HD       LYS  14   4.011  46.669 -24.300
  112   1HE   LYS  14          HE2       LYS  14   2.624  49.294 -25.000
  113   2HE   LYS  14          HE3       LYS  14   4.310  48.877 -25.327
  114   1HZ   LYS  14          HZ1       LYS  14   3.415  47.053 -26.771
  115   2HZ   LYS  14          HZ2       LYS  14   1.894  47.635 -26.559
  116   3HZ   LYS  14          HZ3       LYS  14   3.007  48.559 -27.310
  117    H    PHE  15           H        PHE  15   2.380  42.082 -22.443
  118    HA   PHE  15           HA       PHE  15   1.575  42.168 -19.590
  119   1HB   PHE  15          1HB       PHE  15   1.462  40.070 -21.782
  120   2HB   PHE  15          2HB       PHE  15   1.222  39.645 -20.096
  121    HD1  PHE  15           HD1      PHE  15  -0.507  40.915 -18.711
  122    HD2  PHE  15           HD2      PHE  15  -0.429  40.901 -23.027
  123    HE1  PHE  15           HE1      PHE  15  -2.933  41.465 -18.758
  124    HE2  PHE  15           HE2      PHE  15  -2.825  41.484 -23.071
  125    HZ   PHE  15           HZ       PHE  15  -4.091  41.705 -20.912
  126    H    THR  16           H        THR  16   2.408  40.903 -18.016
  127    HA   THR  16           HA       THR  16   4.905  39.359 -18.397
  128    HB   THR  16           HB       THR  16   5.798  40.319 -16.282
  129    HG1  THR  16           HG1      THR  16   3.488  41.927 -16.530
  130   1HG2  THR  16          1HG2      THR  16   6.562  41.255 -18.468
  131   2HG2  THR  16          2HG2      THR  16   5.313  42.513 -18.341
  132   3HG2  THR  16          3HG2      THR  16   6.610  42.430 -17.138
  133    H    TRP  17           H        TRP  17   5.039  37.581 -16.944
  134    HA   TRP  17           HA       TRP  17   2.546  36.659 -15.759
  135   1HB   TRP  17          1HB       TRP  17   5.364  35.529 -15.839
  136   2HB   TRP  17          2HB       TRP  17   4.020  34.739 -15.032
  137    HD1  TRP  17           HD1      TRP  17   5.785  34.506 -18.139
  138    HE1  TRP  17           HE1      TRP  17   4.404  33.297 -19.978
  139    HE3  TRP  17           HE3      TRP  17   1.154  34.690 -15.944
  140    HZ2  TRP  17           HZ2      TRP  17   1.653  32.605 -20.439
  141    HZ3  TRP  17           HZ3      TRP  17  -0.815  33.770 -17.126
  142    HH2  TRP  17           HH2      TRP  17  -0.573  32.699 -19.349
  143    H    LYS  18           H        LYS  18   1.835  37.443 -13.877
  144    HA   LYS  18           HA       LYS  18   3.644  38.236 -11.663
  145   1HB   LYS  18          1HB       LYS  18   0.981  38.972 -12.317
  146   2HB   LYS  18          2HB       LYS  18   0.802  37.876 -10.951
  147   1HG   LYS  18          1HG       LYS  18   2.675  39.266  -9.841
  148   2HG   LYS  18          2HG       LYS  18   2.398  40.459 -11.103
  149   1HD   LYS  18          1HD       LYS  18   0.329  39.485  -9.072
  150   2HD   LYS  18          2HD       LYS  18   1.331  40.898  -8.901
  151   1HE   LYS  18          HE2       LYS  18  -0.510  41.946  -9.566
  152   2HE   LYS  18          HE3       LYS  18   0.211  41.705 -11.159
  153   1HZ   LYS  18          HZ1       LYS  18  -1.347  40.083 -11.644
  154   2HZ   LYS  18          HZ2       LYS  18  -1.672  39.725 -10.032
  155   3HZ   LYS  18          HZ3       LYS  18  -2.263  41.087 -10.737
  156    H    ARG  19           H        ARG  19   1.608  35.623 -12.726
  157    HA   ARG  19           HA       ARG  19   3.023  33.630 -11.056
  158   1HB   ARG  19          1HB       ARG  19   0.925  34.408  -9.825
  159   2HB   ARG  19          2HB       ARG  19  -0.000  33.829 -11.212
  160   1HG   ARG  19          1HG       ARG  19   1.131  31.520 -10.730
  161   2HG   ARG  19          2HG       ARG  19   1.465  32.225  -9.138
  162   1HD   ARG  19          1HD       ARG  19  -1.223  31.771 -10.497
  163   2HD   ARG  19          2HD       ARG  19  -0.625  31.026  -9.017
  164    HE   ARG  19           HE       ARG  19  -1.181  33.990  -9.184
  165   1HH1  ARG  19          1HH1      ARG  19  -1.883  30.992  -7.521
  166   2HH1  ARG  19          2HH1      ARG  19  -2.845  31.806  -6.307
  167   1HH2  ARG  19          1HH2      ARG  19  -2.361  34.969  -7.733
  168   2HH2  ARG  19          2HH2      ARG  19  -3.112  34.071  -6.424
  169    H    ALA  20           H        ALA  20   3.787  32.299 -12.690
  170    HA   ALA  20           HA       ALA  20   2.624  32.073 -15.287
  171   1HB   ALA  20          1HB       ALA  20   4.967  31.507 -14.821
  172   2HB   ALA  20          2HB       ALA  20   4.455  30.177 -13.751
  173   3HB   ALA  20          3HB       ALA  20   4.124  30.098 -15.488
  174    HA   PRO  21           HA       PRO  21  -0.811  29.268 -14.786
  175   1HB   PRO  21          1HB       PRO  21   0.466  27.654 -16.987
  176   2HB   PRO  21          2HB       PRO  21  -1.249  28.142 -16.764
  177   1HG   PRO  21          1HG       PRO  21   0.341  29.519 -18.465
  178   2HG   PRO  21          2HG       PRO  21  -0.768  30.397 -17.375
  179   1HD   PRO  21          1HD       PRO  21   2.202  29.929 -17.037
  180   2HD   PRO  21          2HD       PRO  21   1.248  31.412 -16.761
  181    H    THR  22           H        THR  22  -1.098  27.947 -13.177
  182    HA   THR  22           HA       THR  22   0.465  25.465 -12.991
  183    HB   THR  22           HB       THR  22   1.698  27.174 -11.665
  184    HG1  THR  22           HG1      THR  22   2.239  25.625 -10.402
  185   1HG2  THR  22          1HG2      THR  22  -0.688  27.022  -9.768
  186   2HG2  THR  22          2HG2      THR  22   0.867  27.816  -9.455
  187   3HG2  THR  22          3HG2      THR  22  -0.203  28.449 -10.720
  188    H    ASP  23           H        ASP  23  -0.403  24.170 -11.045
  189    HA   ASP  23           HA       ASP  23  -3.259  23.764 -11.654
  190   1HB   ASP  23          1HB       ASP  23  -1.497  21.915 -11.453
  191   2HB   ASP  23          2HB       ASP  23  -1.555  22.168  -9.709
  192    H    SER  24           H        SER  24  -4.950  24.136 -10.291
  193    HA   SER  24           HA       SER  24  -4.713  25.881  -8.000
  194   1HB   SER  24          1HB       SER  24  -7.164  25.548  -7.919
  195   2HB   SER  24          2HB       SER  24  -6.612  25.843  -9.578
  196    HG   SER  24           HG       SER  24  -7.849  24.154  -9.820
  197    H    GLY  25           H        GLY  25  -4.117  22.531  -8.159
  198   1HA   GLY  25          1HA       GLY  25  -3.853  20.987  -6.413
  199   2HA   GLY  25          2HA       GLY  25  -4.794  22.007  -5.319
  200    H    HIS  26           H        HIS  26  -6.468  22.096  -8.164
  201    HA   HIS  26           HA       HIS  26  -8.276  19.838  -7.443
  202   1HB   HIS  26          1HB       HIS  26  -9.067  22.726  -7.993
  203   2HB   HIS  26          2HB       HIS  26 -10.138  21.400  -7.591
  204    HD1  HIS  26           HD1      HIS  26  -7.397  23.577  -5.842
  205    HD2  HIS  26           HD2      HIS  26 -10.490  20.802  -5.050
  206    HE1  HIS  26           HE1      HIS  26  -7.808  23.623  -3.341
  207    H    ASP  27           H        ASP  27  -6.328  20.324  -9.755
  208    HA   ASP  27           HA       ASP  27  -6.174  19.646 -11.926
  209   1HB   ASP  27          1HB       ASP  27  -9.069  18.753 -11.817
  210   2HB   ASP  27          2HB       ASP  27  -7.810  18.215 -12.921
  211    H    THR  28           H        THR  28  -7.576  22.264 -11.061
  212    HA   THR  28           HA       THR  28  -8.190  23.264 -13.805
  213    HB   THR  28           HB       THR  28  -9.242  25.193 -12.765
  214    HG1  THR  28           HG1      THR  28  -9.331  25.561 -10.660
  215   1HG2  THR  28          1HG2      THR  28 -10.340  22.636 -11.502
  216   2HG2  THR  28          2HG2      THR  28 -11.209  24.162 -11.698
  217   3HG2  THR  28          3HG2      THR  28 -10.726  23.231 -13.128
  218    H    VAL  29           H        VAL  29  -7.308  25.416 -14.242
  219    HA   VAL  29           HA       VAL  29  -4.453  25.502 -13.437
  220    HB   VAL  29           HB       VAL  29  -5.655  26.250 -16.127
  221   1HG1  VAL  29          1HG1      VAL  29  -3.497  27.345 -15.614
  222   2HG1  VAL  29          2HG1      VAL  29  -2.790  25.773 -15.179
  223   3HG1  VAL  29          3HG1      VAL  29  -3.282  26.098 -16.851
  224   1HG2  VAL  29          1HG2      VAL  29  -4.306  23.673 -15.246
  225   2HG2  VAL  29          2HG2      VAL  29  -5.979  23.844 -15.807
  226   3HG2  VAL  29          3HG2      VAL  29  -4.659  24.128 -16.938
  227    H    VAL  30           H        VAL  30  -4.023  27.189 -12.260
  228    HA   VAL  30           HA       VAL  30  -5.531  29.754 -12.573
  229    HB   VAL  30           HB       VAL  30  -4.499  30.428 -10.440
  230   1HG1  VAL  30          1HG1      VAL  30  -6.126  27.867 -10.306
  231   2HG1  VAL  30          2HG1      VAL  30  -5.914  29.025  -8.977
  232   3HG1  VAL  30          3HG1      VAL  30  -6.749  29.519 -10.451
  233   1HG2  VAL  30          1HG2      VAL  30  -3.502  28.793  -8.915
  234   2HG2  VAL  30          2HG2      VAL  30  -3.556  27.542 -10.167
  235   3HG2  VAL  30          3HG2      VAL  30  -2.511  28.964 -10.368
  236    H    MET  31           H        MET  31  -4.450  31.640 -13.058
  237    HA   MET  31           HA       MET  31  -1.532  31.721 -12.967
  238   1HB   MET  31          1HB       MET  31  -1.084  32.279 -15.244
  239   2HB   MET  31          2HB       MET  31  -2.078  30.824 -15.284
  240   1HG   MET  31          1HG       MET  31  -4.051  32.516 -15.405
  241   2HG   MET  31          2HG       MET  31  -2.838  33.640 -16.011
  242   1HE   MET  31          1HE       MET  31  -3.707  29.779 -16.433
  243   2HE   MET  31          2HE       MET  31  -5.209  30.723 -16.549
  244   3HE   MET  31          3HE       MET  31  -4.584  29.858 -17.969
  245    H    GLU  32           H        GLU  32  -0.747  33.990 -13.495
  246    HA   GLU  32           HA       GLU  32  -2.819  36.049 -13.200
  247   1HB   GLU  32          1HB       GLU  32  -2.057  35.029 -10.909
  248   2HB   GLU  32          2HB       GLU  32  -0.585  35.985 -11.169
  249   1HG   GLU  32          1HG       GLU  32  -2.010  38.010 -11.416
  250   2HG   GLU  32          2HG       GLU  32  -3.429  37.031 -11.043
  251    H    VAL  33           H        VAL  33  -2.183  38.053 -13.961
  252    HA   VAL  33           HA       VAL  33   0.659  38.369 -14.852
  253    HB   VAL  33           HB       VAL  33  -0.147  39.467 -16.892
  254   1HG1  VAL  33          1HG1      VAL  33   0.534  37.054 -16.751
  255   2HG1  VAL  33          2HG1      VAL  33  -1.185  36.624 -16.632
  256   3HG1  VAL  33          3HG1      VAL  33  -0.544  37.439 -18.077
  257   1HG2  VAL  33          1HG2      VAL  33  -2.446  40.076 -16.090
  258   2HG2  VAL  33          2HG2      VAL  33  -2.423  39.246 -17.649
  259   3HG2  VAL  33          3HG2      VAL  33  -2.889  38.353 -16.195
  260    H    ALA  34           H        ALA  34   1.335  40.446 -15.427
  261    HA   ALA  34           HA       ALA  34  -0.061  42.769 -14.230
  262   1HB   ALA  34          1HB       ALA  34   2.890  42.068 -13.901
  263   2HB   ALA  34          2HB       ALA  34   2.180  43.649 -13.511
  264   3HB   ALA  34          3HB       ALA  34   1.675  42.201 -12.619
  265    H    PHE  35           H        PHE  35   0.239  44.681 -15.441
  266    HA   PHE  35           HA       PHE  35   0.981  44.142 -18.281
  267   1HB   PHE  35          1HB       PHE  35  -1.274  43.370 -17.805
  268   2HB   PHE  35          2HB       PHE  35  -1.675  44.896 -17.021
  269    HD1  PHE  35           HD1      PHE  35  -0.403  43.621 -20.333
  270    HD2  PHE  35           HD2      PHE  35  -2.925  46.448 -18.266
  271    HE1  PHE  35           HE1      PHE  35  -1.219  44.484 -22.492
  272    HE2  PHE  35           HE2      PHE  35  -3.677  47.337 -20.450
  273    HZ   PHE  35           HZ       PHE  35  -2.791  46.424 -22.547
  274    H    SER  36           H        SER  36   1.808  45.787 -19.357
  275    HA   SER  36           HA       SER  36   2.101  48.413 -18.034
  276   1HB   SER  36          1HB       SER  36   3.409  47.282 -20.532
  277   2HB   SER  36          2HB       SER  36   3.805  48.826 -19.755
  278    HG   SER  36           HG       SER  36   3.982  46.243 -18.586
  279    H    GLY  37           H        GLY  37  -0.267  47.321 -20.133
  280   1HA   GLY  37          1HA       GLY  37  -0.463  49.867 -21.671
  281   2HA   GLY  37          2HA       GLY  37  -1.388  48.402 -21.955
  282    H    THR  38           H        THR  38  -3.244  49.845 -22.054
  283    HA   THR  38           HA       THR  38  -4.152  51.712 -20.269
  284    HB   THR  38           HB       THR  38  -6.484  50.569 -21.212
  285    HG1  THR  38           HG1      THR  38  -6.048  49.800 -23.250
  286   1HG2  THR  38          1HG2      THR  38  -4.593  52.348 -22.798
  287   2HG2  THR  38          2HG2      THR  38  -6.338  52.142 -23.078
  288   3HG2  THR  38          3HG2      THR  38  -5.772  52.895 -21.580
  289    H    LYS  39           H        LYS  39  -5.514  51.848 -18.576
  290    HA   LYS  39           HA       LYS  39  -6.543  49.355 -17.331
  291   1HB   LYS  39          1HB       LYS  39  -5.691  51.837 -15.800
  292   2HB   LYS  39          2HB       LYS  39  -6.337  50.343 -15.127
  293   1HG   LYS  39          1HG       LYS  39  -3.648  50.707 -16.503
  294   2HG   LYS  39          2HG       LYS  39  -3.930  50.517 -14.774
  295   1HD   LYS  39          1HD       LYS  39  -4.812  48.224 -15.153
  296   2HD   LYS  39          2HD       LYS  39  -4.496  48.374 -16.873
  297   1HE   LYS  39          HE2       LYS  39  -2.446  48.363 -14.635
  298   2HE   LYS  39          HE3       LYS  39  -2.735  47.108 -15.841
  299   1HZ   LYS  39          HZ1       LYS  39  -0.893  48.265 -16.629
  300   2HZ   LYS  39          HZ2       LYS  39  -2.102  48.919 -17.541
  301   3HZ   LYS  39          HZ3       LYS  39  -1.517  49.756 -16.277
  302    HA   PRO  40           HA       PRO  40  -8.388  48.505 -16.704
  303   1HB   PRO  40          1HB       PRO  40 -10.828  47.755 -17.473
  304   2HB   PRO  40          2HB       PRO  40 -10.637  48.819 -16.048
  305   1HG   PRO  40          1HG       PRO  40 -11.296  49.624 -18.912
  306   2HG   PRO  40          2HG       PRO  40 -12.167  50.088 -17.416
  307   1HD   PRO  40          1HD       PRO  40 -10.210  51.654 -18.567
  308   2HD   PRO  40          2HD       PRO  40 -10.475  51.608 -16.798
  309    H    CYS  41           H        CYS  41  -8.481  46.489 -18.003
  310    HA   CYS  41           HA       CYS  41  -9.604  46.644 -20.659
  311   1HB   CYS  41          1HB       CYS  41  -7.700  45.802 -21.924
  312   2HB   CYS  41          2HB       CYS  41  -7.330  47.353 -21.193
  313    H    ARG  42           H        ARG  42  -9.852  44.541 -21.658
  314    HA   ARG  42           HA       ARG  42 -10.131  42.229 -19.791
  315   1HB   ARG  42          1HB       ARG  42 -12.078  42.502 -21.002
  316   2HB   ARG  42          2HB       ARG  42 -11.240  42.971 -22.490
  317   1HG   ARG  42          1HG       ARG  42 -10.598  40.739 -22.997
  318   2HG   ARG  42          2HG       ARG  42 -10.987  40.151 -21.382
  319   1HD   ARG  42          1HD       ARG  42 -12.594  39.684 -23.433
  320   2HD   ARG  42          2HD       ARG  42 -13.165  39.946 -21.787
  321    HE   ARG  42           HE       ARG  42 -13.046  42.378 -23.423
  322   1HH1  ARG  42          1HH1      ARG  42 -15.246  39.820 -22.199
  323   2HH1  ARG  42          2HH1      ARG  42 -16.572  40.980 -22.276
  324   1HH2  ARG  42          1HH2      ARG  42 -14.807  43.666 -23.206
  325   2HH2  ARG  42          2HH2      ARG  42 -16.380  42.908 -22.849
  326    H    ILE  43           H        ILE  43  -8.877  40.536 -19.775
  327    HA   ILE  43           HA       ILE  43  -6.314  40.747 -21.084
  328    HB   ILE  43           HB       ILE  43  -7.403  38.475 -19.394
  329   1HG1  ILE  43          2HG1      ILE  43  -5.806  40.974 -18.654
  330   2HG1  ILE  43          3HG1      ILE  43  -7.454  40.593 -18.166
  331   1HG2  ILE  43          1HG2      ILE  43  -4.551  39.235 -20.157
  332   2HG2  ILE  43          2HG2      ILE  43  -5.018  37.890 -19.107
  333   3HG2  ILE  43          3HG2      ILE  43  -5.443  37.839 -20.805
  334   1HD1  ILE  43          1HD1      ILE  43  -6.496  38.524 -16.984
  335   2HD1  ILE  43          2HD1      ILE  43  -4.916  39.294 -17.205
  336   3HD1  ILE  43          3HD1      ILE  43  -6.185  40.122 -16.284
  337    HA   PRO  44           HA       PRO  44  -7.685  38.222 -24.661
  338   1HB   PRO  44          1HB       PRO  44  -5.472  38.494 -26.220
  339   2HB   PRO  44          2HB       PRO  44  -6.621  39.838 -25.956
  340   1HG   PRO  44          1HG       PRO  44  -4.025  39.330 -24.469
  341   2HG   PRO  44          2HG       PRO  44  -4.560  40.845 -25.256
  342   1HD   PRO  44          1HD       PRO  44  -4.884  40.339 -22.600
  343   2HD   PRO  44          2HD       PRO  44  -6.109  41.262 -23.539
  344    H    VAL  45           H        VAL  45  -7.557  36.678 -22.781
  345    HA   VAL  45           HA       VAL  45  -5.225  34.931 -22.627
  346    HB   VAL  45           HB       VAL  45  -7.148  35.537 -20.820
  347   1HG1  VAL  45          1HG1      VAL  45  -8.601  33.688 -20.337
  348   2HG1  VAL  45          2HG1      VAL  45  -8.956  34.226 -21.989
  349   3HG1  VAL  45          3HG1      VAL  45  -8.005  32.748 -21.710
  350   1HG2  VAL  45          1HG2      VAL  45  -5.061  34.551 -20.264
  351   2HG2  VAL  45          2HG2      VAL  45  -6.317  33.532 -19.555
  352   3HG2  VAL  45          3HG2      VAL  45  -5.472  32.999 -21.021
  353    H    ARG  46           H        ARG  46  -5.095  32.777 -23.242
  354    HA   ARG  46           HA       ARG  46  -7.307  31.228 -24.184
  355   1HB   ARG  46          1HB       ARG  46  -6.452  30.701 -26.488
  356   2HB   ARG  46          2HB       ARG  46  -7.053  32.349 -26.330
  357   1HG   ARG  46          1HG       ARG  46  -4.669  33.093 -25.943
  358   2HG   ARG  46          2HG       ARG  46  -4.150  31.445 -26.345
  359   1HD   ARG  46          1HD       ARG  46  -4.710  31.719 -28.615
  360   2HD   ARG  46          2HD       ARG  46  -5.780  33.096 -28.281
  361    HE   ARG  46           HE       ARG  46  -3.710  34.312 -27.493
  362   1HH1  ARG  46          1HH1      ARG  46  -3.285  31.988 -30.134
  363   2HH1  ARG  46          2HH1      ARG  46  -1.811  32.786 -30.623
  364   1HH2  ARG  46          1HH2      ARG  46  -1.812  35.128 -28.077
  365   2HH2  ARG  46          2HH2      ARG  46  -1.063  34.717 -29.567
  366    H    ALA  47           H        ALA  47  -6.719  28.997 -24.448
  367    HA   ALA  47           HA       ALA  47  -3.866  28.278 -23.863
  368   1HB   ALA  47          1HB       ALA  47  -5.270  27.781 -21.899
  369   2HB   ALA  47          2HB       ALA  47  -6.400  26.869 -22.930
  370   3HB   ALA  47          3HB       ALA  47  -4.738  26.288 -22.722
  371    H    VAL  48           H        VAL  48  -2.992  27.404 -25.680
  372    HA   VAL  48           HA       VAL  48  -4.904  26.156 -27.602
  373    HB   VAL  48           HB       VAL  48  -3.704  26.971 -29.413
  374   1HG1  VAL  48          1HG1      VAL  48  -4.009  29.242 -27.401
  375   2HG1  VAL  48          2HG1      VAL  48  -4.073  29.369 -29.162
  376   3HG1  VAL  48          3HG1      VAL  48  -5.339  28.486 -28.305
  377   1HG2  VAL  48          1HG2      VAL  48  -1.690  28.225 -27.511
  378   2HG2  VAL  48          2HG2      VAL  48  -1.375  26.897 -28.654
  379   3HG2  VAL  48          3HG2      VAL  48  -1.791  28.503 -29.258
  380    H    ALA  49           H        ALA  49  -4.800  24.122 -27.945
  381    HA   ALA  49           HA       ALA  49  -2.923  22.537 -26.484
  382   1HB   ALA  49          1HB       ALA  49  -5.021  21.755 -28.547
  383   2HB   ALA  49          2HB       ALA  49  -4.191  20.641 -27.435
  384   3HB   ALA  49          3HB       ALA  49  -5.251  21.901 -26.785
  385    H    HIS  50           H        HIS  50  -1.460  20.981 -27.152
  386    HA   HIS  50           HA       HIS  50   0.483  21.514 -28.960
  387   1HB   HIS  50          1HB       HIS  50   0.474  19.870 -27.118
  388   2HB   HIS  50          2HB       HIS  50  -0.418  18.736 -28.123
  389    HD1  HIS  50           HD1      HIS  50   3.022  20.059 -27.412
  390    HD2  HIS  50           HD2      HIS  50   1.016  17.711 -30.300
  391    HE1  HIS  50           HE1      HIS  50   4.836  18.829 -28.788
  392    H    GLY  51           H        GLY  51   0.043  22.109 -31.004
  393   1HA   GLY  51          1HA       GLY  51   0.329  21.182 -33.264
  394   2HA   GLY  51          2HA       GLY  51  -0.950  20.027 -32.922
  395    H    ALA  52           H        ALA  52  -2.281  22.702 -31.558
  396    HA   ALA  52           HA       ALA  52  -3.269  23.866 -34.135
  397   1HB   ALA  52          1HB       ALA  52  -4.998  22.795 -31.886
  398   2HB   ALA  52          2HB       ALA  52  -5.565  23.669 -33.329
  399   3HB   ALA  52          3HB       ALA  52  -4.791  22.081 -33.504
  400    HA   PRO  53           HA       PRO  53  -2.018  27.038 -31.017
  401   1HB   PRO  53          1HB       PRO  53  -0.815  28.851 -32.680
  402   2HB   PRO  53          2HB       PRO  53  -0.015  27.355 -32.106
  403   1HG   PRO  53          1HG       PRO  53  -1.480  27.791 -34.731
  404   2HG   PRO  53          2HG       PRO  53   0.156  27.097 -34.483
  405   1HD   PRO  53          1HD       PRO  53  -2.032  25.524 -34.796
  406   2HD   PRO  53          2HD       PRO  53  -0.738  25.067 -33.646
  407    H    ASP  54           H        ASP  54  -4.070  27.245 -33.789
  408    HA   ASP  54           HA       ASP  54  -5.220  29.820 -33.394
  409   1HB   ASP  54          1HB       ASP  54  -6.503  27.386 -34.691
  410   2HB   ASP  54          2HB       ASP  54  -6.722  29.085 -35.113
  411    H    VAL  55           H        VAL  55  -5.852  26.705 -31.840
  412    HA   VAL  55           HA       VAL  55  -8.682  27.451 -31.289
  413    HB   VAL  55           HB       VAL  55  -7.318  24.741 -31.076
  414   1HG1  VAL  55          1HG1      VAL  55  -9.662  23.890 -30.912
  415   2HG1  VAL  55          2HG1      VAL  55  -9.247  24.906 -29.534
  416   3HG1  VAL  55          3HG1      VAL  55 -10.257  25.563 -30.838
  417   1HG2  VAL  55          1HG2      VAL  55  -7.508  25.457 -33.422
  418   2HG2  VAL  55          2HG2      VAL  55  -8.683  24.184 -33.074
  419   3HG2  VAL  55          3HG2      VAL  55  -9.218  25.878 -33.178
  420    H    ASP  56           H        ASP  56  -8.926  28.563 -29.463
  421    HA   ASP  56           HA       ASP  56  -7.504  28.009 -27.015
  422   1HB   ASP  56          1HB       ASP  56  -8.650  30.177 -27.529
  423   2HB   ASP  56          2HB       ASP  56 -10.205  29.360 -27.337
  424    H    VAL  57           H        VAL  57  -7.749  26.341 -25.750
  425    HA   VAL  57           HA       VAL  57 -10.261  24.718 -25.713
  426    HB   VAL  57           HB       VAL  57  -9.021  22.858 -24.918
  427   1HG1  VAL  57          1HG1      VAL  57  -7.465  24.032 -27.253
  428   2HG1  VAL  57          2HG1      VAL  57  -7.661  22.318 -26.833
  429   3HG1  VAL  57          3HG1      VAL  57  -9.061  23.261 -27.374
  430   1HG2  VAL  57          1HG2      VAL  57  -6.657  22.744 -24.590
  431   2HG2  VAL  57          2HG2      VAL  57  -6.417  24.416 -25.049
  432   3HG2  VAL  57          3HG2      VAL  57  -7.270  24.031 -23.541
  433    H    ALA  58           H        ALA  58  -9.072  27.264 -24.000
  434    HA   ALA  58           HA       ALA  58  -9.251  26.331 -21.285
  435   1HB   ALA  58          1HB       ALA  58  -8.000  28.346 -21.968
  436   2HB   ALA  58          2HB       ALA  58  -9.510  29.123 -22.485
  437   3HB   ALA  58          3HB       ALA  58  -9.260  28.745 -20.776
  438    H    MET  59           H        MET  59 -11.086  25.551 -20.365
  439    HA   MET  59           HA       MET  59 -13.636  27.077 -20.702
  440   1HB   MET  59          1HB       MET  59 -13.928  24.693 -20.741
  441   2HB   MET  59          2HB       MET  59 -12.988  24.483 -19.255
  442   1HG   MET  59          1HG       MET  59 -15.447  24.341 -18.882
  443   2HG   MET  59          2HG       MET  59 -14.664  25.599 -17.936
  444   1HE   MET  59          1HE       MET  59 -16.482  27.107 -17.262
  445   2HE   MET  59          2HE       MET  59 -17.887  27.535 -18.259
  446   3HE   MET  59          3HE       MET  59 -17.611  25.839 -17.794
  447    H    LEU  60           H        LEU  60 -13.415  28.995 -19.639
  448    HA   LEU  60           HA       LEU  60 -11.761  29.450 -17.365
  449   1HB   LEU  60          1HB       LEU  60 -14.132  31.048 -18.361
  450   2HB   LEU  60          2HB       LEU  60 -12.955  31.582 -17.176
  451    HG   LEU  60           HG       LEU  60 -11.533  30.670 -19.561
  452   1HD1  LEU  60          1HD1      LEU  60 -13.574  32.890 -19.995
  453   2HD1  LEU  60          2HD1      LEU  60 -12.301  32.378 -21.132
  454   3HD1  LEU  60          3HD1      LEU  60 -13.625  31.273 -20.734
  455   1HD2  LEU  60          1HD2      LEU  60 -10.623  32.974 -19.459
  456   2HD2  LEU  60          2HD2      LEU  60 -11.810  33.368 -18.195
  457   3HD2  LEU  60          3HD2      LEU  60 -10.555  32.149 -17.886
  458    H    ILE  61           H        ILE  61 -12.022  29.251 -15.264
  459    HA   ILE  61           HA       ILE  61 -14.578  28.203 -14.112
  460    HB   ILE  61           HB       ILE  61 -11.792  28.369 -12.910
  461   1HG1  ILE  61          2HG1      ILE  61 -11.657  26.760 -14.670
  462   2HG1  ILE  61          3HG1      ILE  61 -11.685  25.914 -13.145
  463   1HG2  ILE  61          1HG2      ILE  61 -13.448  28.390 -11.142
  464   2HG2  ILE  61          2HG2      ILE  61 -14.290  26.997 -11.845
  465   3HG2  ILE  61          3HG2      ILE  61 -12.652  26.820 -11.175
  466   1HD1  ILE  61          1HD1      ILE  61 -13.046  24.719 -14.762
  467   2HD1  ILE  61          2HD1      ILE  61 -14.130  25.390 -13.533
  468   3HD1  ILE  61          3HD1      ILE  61 -13.989  26.169 -15.129
  469    H    THR  62           H        THR  62 -12.196  30.822 -13.851
  470    HA   THR  62           HA       THR  62 -14.003  32.360 -12.052
  471    HB   THR  62           HB       THR  62 -11.355  32.225 -11.935
  472    HG1  THR  62           HG1      THR  62 -12.406  33.379 -10.485
  473   1HG2  THR  62          1HG2      THR  62 -11.668  34.696 -13.671
  474   2HG2  THR  62          2HG2      THR  62 -10.203  34.061 -12.925
  475   3HG2  THR  62          3HG2      THR  62 -10.988  33.160 -14.255
  476    HA   PRO  63           HA       PRO  63 -15.924  34.568 -15.378
  477   1HB   PRO  63          1HB       PRO  63 -14.992  37.199 -14.218
  478   2HB   PRO  63          2HB       PRO  63 -16.635  36.722 -14.753
  479   1HG   PRO  63          1HG       PRO  63 -16.034  36.755 -12.119
  480   2HG   PRO  63          2HG       PRO  63 -16.959  35.376 -12.806
  481   1HD   PRO  63          1HD       PRO  63 -13.995  35.531 -12.203
  482   2HD   PRO  63          2HD       PRO  63 -15.159  34.227 -11.801
  483    H    ASN  64           H        ASN  64 -15.680  36.001 -17.163
  484    HA   ASN  64           HA       ASN  64 -13.584  36.257 -18.870
  485   1HB   ASN  64          1HB       ASN  64 -15.819  36.924 -19.363
  486   2HB   ASN  64          2HB       ASN  64 -15.843  38.115 -18.063
  487   1HD2  ASN  64          2HD2      ASN  64 -14.164  39.885 -18.287
  488   2HD2  ASN  64          1HD2      ASN  64 -14.221  40.696 -19.854
  489    HA   PRO  65           HA       PRO  65 -10.981  38.253 -15.818
  490   1HB   PRO  65          1HB       PRO  65  -8.501  37.690 -16.764
  491   2HB   PRO  65          2HB       PRO  65  -9.586  36.441 -16.089
  492   1HG   PRO  65          1HG       PRO  65  -9.189  37.155 -19.020
  493   2HG   PRO  65          2HG       PRO  65  -9.117  35.532 -18.263
  494   1HD   PRO  65          1HD       PRO  65 -11.379  36.457 -19.453
  495   2HD   PRO  65          2HD       PRO  65 -11.458  35.487 -17.950
  496    H    THR  66           H        THR  66  -9.943  40.133 -15.434
  497    HA   THR  66           HA       THR  66  -9.346  41.981 -17.677
  498    HB   THR  66           HB       THR  66 -10.451  43.788 -16.231
  499    HG1  THR  66           HG1      THR  66 -10.928  42.833 -14.294
  500   1HG2  THR  66          1HG2      THR  66 -11.434  43.006 -18.332
  501   2HG2  THR  66          2HG2      THR  66 -12.198  41.629 -17.497
  502   3HG2  THR  66          3HG2      THR  66 -12.679  43.293 -17.140
  503    H    MET  67           H        MET  67  -8.074  43.768 -17.180
  504    HA   MET  67           HA       MET  67  -6.361  43.516 -14.763
  505   1HB   MET  67          1HB       MET  67  -5.435  43.073 -17.315
  506   2HB   MET  67          2HB       MET  67  -5.125  44.805 -17.148
  507   1HG   MET  67          1HG       MET  67  -4.311  42.651 -15.149
  508   2HG   MET  67          2HG       MET  67  -3.249  43.283 -16.393
  509   1HE   MET  67          1HE       MET  67  -2.142  43.203 -13.560
  510   2HE   MET  67          2HE       MET  67  -2.544  44.540 -12.452
  511   3HE   MET  67          3HE       MET  67  -3.749  43.290 -12.805
  512    H    GLU  68           H        GLU  68  -6.146  45.328 -13.562
  513    HA   GLU  68           HA       GLU  68  -7.946  47.601 -14.242
  514   1HB   GLU  68          1HB       GLU  68  -8.021  45.659 -11.897
  515   2HB   GLU  68          2HB       GLU  68  -8.919  47.165 -11.909
  516   1HG   GLU  68          1HG       GLU  68 -10.509  46.394 -13.368
  517   2HG   GLU  68          2HG       GLU  68  -9.397  45.376 -14.260
  518    H    ASN  69           H        ASN  69  -7.833  49.276 -12.377
  519    HA   ASN  69           HA       ASN  69  -5.020  49.570 -11.418
  520   1HB   ASN  69          1HB       ASN  69  -5.586  51.902 -11.006
  521   2HB   ASN  69          2HB       ASN  69  -5.864  51.439 -12.685
  522   1HD2  ASN  69          2HD2      ASN  69  -7.473  53.020 -13.223
  523   2HD2  ASN  69          1HD2      ASN  69  -8.995  53.038 -12.334
  524    H    ASN  70           H        ASN  70  -7.821  48.275 -10.317
  525    HA   ASN  70           HA       ASN  70  -7.121  48.595  -7.442
  526   1HB   ASN  70          1HB       ASN  70  -9.526  48.826  -6.911
  527   2HB   ASN  70          2HB       ASN  70  -8.890  50.170  -7.845
  528   1HD2  ASN  70          1HD2      ASN  70  -9.612  50.448 -10.109
  529   2HD2  ASN  70          2HD2      ASN  70 -11.110  49.606 -10.558
  530    H    GLY  71           H        GLY  71  -6.241  46.525  -9.014
  531   1HA   GLY  71          1HA       GLY  71  -6.206  44.219  -7.929
  532   2HA   GLY  71          2HA       GLY  71  -7.931  44.161  -8.327
  533    H    GLY  72           H        GLY  72  -7.631  42.382  -9.694
  534   1HA   GLY  72          1HA       GLY  72  -7.928  41.745 -11.916
  535   2HA   GLY  72          2HA       GLY  72  -7.099  43.199 -12.457
  536    H    GLY  73           H        GLY  73  -6.553  41.153 -13.861
  537   1HA   GLY  73          1HA       GLY  73  -4.598  40.222 -14.798
  538   2HA   GLY  73          2HA       GLY  73  -3.734  40.479 -13.298
  539    H    PHE  74           H        PHE  74  -6.418  38.947 -12.173
  540    HA   PHE  74           HA       PHE  74  -5.035  36.326 -12.176
  541   1HB   PHE  74          1HB       PHE  74  -5.700  37.312 -10.009
  542   2HB   PHE  74          2HB       PHE  74  -7.385  37.333 -10.530
  543    HD1  PHE  74           HD1      PHE  74  -4.468  35.035  -9.949
  544    HD2  PHE  74           HD2      PHE  74  -8.758  35.365 -10.310
  545    HE1  PHE  74           HE1      PHE  74  -4.706  32.635  -9.384
  546    HE2  PHE  74           HE2      PHE  74  -8.984  32.961  -9.728
  547    HZ   PHE  74           HZ       PHE  74  -6.969  31.596  -9.273
  548    H    ILE  75           H        ILE  75  -5.849  34.412 -12.778
  549    HA   ILE  75           HA       ILE  75  -8.432  34.266 -14.228
  550    HB   ILE  75           HB       ILE  75  -5.827  33.329 -15.411
  551   1HG1  ILE  75          2HG1      ILE  75  -7.107  36.015 -15.937
  552   2HG1  ILE  75          3HG1      ILE  75  -5.511  35.699 -15.256
  553   1HG2  ILE  75          1HG2      ILE  75  -7.075  33.141 -17.490
  554   2HG2  ILE  75          2HG2      ILE  75  -7.842  32.205 -16.233
  555   3HG2  ILE  75          3HG2      ILE  75  -8.535  33.777 -16.698
  556   1HD1  ILE  75          1HD1      ILE  75  -5.074  36.357 -17.418
  557   2HD1  ILE  75          2HD1      ILE  75  -4.886  34.595 -17.451
  558   3HD1  ILE  75          3HD1      ILE  75  -6.366  35.359 -18.107
  559    H    GLU  76           H        GLU  76  -9.336  32.212 -14.078
  560    HA   GLU  76           HA       GLU  76  -7.596  29.912 -13.576
  561   1HB   GLU  76          1HB       GLU  76  -8.634  30.488 -11.365
  562   2HB   GLU  76          2HB       GLU  76 -10.229  30.203 -12.086
  563   1HG   GLU  76          1HG       GLU  76  -9.556  27.874 -12.664
  564   2HG   GLU  76          2HG       GLU  76  -7.962  28.152 -11.988
  565    H    MET  77           H        MET  77  -8.069  28.238 -14.860
  566    HA   MET  77           HA       MET  77 -10.647  27.991 -16.286
  567   1HB   MET  77          1HB       MET  77  -9.371  27.735 -18.458
  568   2HB   MET  77          2HB       MET  77  -9.430  29.378 -17.820
  569   1HG   MET  77          1HG       MET  77  -7.164  29.239 -16.984
  570   2HG   MET  77          2HG       MET  77  -7.094  27.516 -17.313
  571   1HE   MET  77          1HE       MET  77  -6.812  31.138 -18.762
  572   2HE   MET  77          2HE       MET  77  -6.830  30.854 -20.517
  573   3HE   MET  77          3HE       MET  77  -8.308  30.598 -19.565
  574    H    GLN  78           H        GLN  78 -10.797  25.875 -17.449
  575    HA   GLN  78           HA       GLN  78  -8.828  23.842 -16.506
  576   1HB   GLN  78          1HB       GLN  78 -10.981  23.669 -15.304
  577   2HB   GLN  78          2HB       GLN  78 -11.815  23.364 -16.832
  578   1HG   GLN  78          1HG       GLN  78 -10.703  21.260 -17.124
  579   2HG   GLN  78          2HG       GLN  78  -9.440  21.671 -15.956
  580   1HE2  GLN  78          2HE2      GLN  78  -9.587  20.547 -14.054
  581   2HE2  GLN  78          1HE2      GLN  78 -11.151  20.068 -13.368
  582    H    LEU  79           H        LEU  79  -8.386  22.148 -17.873
  583    HA   LEU  79           HA       LEU  79  -8.677  22.696 -20.778
  584   1HB   LEU  79          1HB       LEU  79  -6.157  22.556 -19.046
  585   2HB   LEU  79          2HB       LEU  79  -6.133  22.378 -20.783
  586    HG   LEU  79           HG       LEU  79  -7.116  24.723 -20.977
  587   1HD1  LEU  79          1HD1      LEU  79  -6.154  26.023 -18.757
  588   2HD1  LEU  79          2HD1      LEU  79  -7.849  25.634 -19.002
  589   3HD1  LEU  79          3HD1      LEU  79  -6.824  24.585 -17.994
  590   1HD2  LEU  79          1HD2      LEU  79  -4.790  24.161 -21.401
  591   2HD2  LEU  79          2HD2      LEU  79  -4.865  25.702 -20.533
  592   3HD2  LEU  79          3HD2      LEU  79  -4.424  24.225 -19.658
  593    HA   PRO  80           HA       PRO  80  -8.350  18.212 -21.031
  594   1HB   PRO  80          1HB       PRO  80  -7.207  17.831 -23.484
  595   2HB   PRO  80          2HB       PRO  80  -8.887  18.400 -23.252
  596   1HG   PRO  80          1HG       PRO  80  -6.418  20.071 -23.806
  597   2HG   PRO  80          2HG       PRO  80  -8.020  20.162 -24.604
  598   1HD   PRO  80          1HD       PRO  80  -7.294  21.824 -22.568
  599   2HD   PRO  80          2HD       PRO  80  -8.980  21.266 -22.761
  600    HA   PRO  81           HA       PRO  81  -4.169  17.405 -19.351
  601   1HB   PRO  81          1HB       PRO  81  -5.147  14.625 -19.994
  602   2HB   PRO  81          2HB       PRO  81  -4.213  15.196 -18.572
  603   1HG   PRO  81          1HG       PRO  81  -6.879  14.861 -18.351
  604   2HG   PRO  81          2HG       PRO  81  -6.123  16.355 -17.697
  605   1HD   PRO  81          1HD       PRO  81  -7.583  15.985 -20.322
  606   2HD   PRO  81          2HD       PRO  81  -7.723  17.307 -19.119
  607    H    GLY  82           H        GLY  82  -2.299  17.470 -20.317
  608   1HA   GLY  82          1HA       GLY  82  -0.948  16.370 -22.307
  609   2HA   GLY  82          2HA       GLY  82  -2.248  17.106 -23.260
  610    H    ASP  83           H        ASP  83  -0.002  17.991 -24.040
  611    HA   ASP  83           HA       ASP  83   1.032  20.318 -22.617
  612   1HB   ASP  83          1HB       ASP  83   2.517  18.965 -23.930
  613   2HB   ASP  83          2HB       ASP  83   1.516  19.120 -25.361
  614    H    ASN  84           H        ASN  84   0.005  22.170 -22.504
  615    HA   ASN  84           HA       ASN  84  -1.566  23.195 -24.828
  616   1HB   ASN  84          1HB       ASN  84  -2.185  23.424 -21.848
  617   2HB   ASN  84          2HB       ASN  84  -3.063  24.228 -23.149
  618   1HD2  ASN  84          2HD2      ASN  84  -2.501  21.050 -21.582
  619   2HD2  ASN  84          1HD2      ASN  84  -4.019  20.402 -22.202
  620    H    ILE  85           H        ILE  85  -0.860  25.117 -25.566
  621    HA   ILE  85           HA       ILE  85   1.195  26.605 -24.028
  622    HB   ILE  85           HB       ILE  85   0.188  26.908 -26.877
  623   1HG1  ILE  85          2HG1      ILE  85   2.950  26.278 -26.822
  624   2HG1  ILE  85          3HG1      ILE  85   2.249  25.243 -25.587
  625   1HG2  ILE  85          1HG2      ILE  85   2.127  28.463 -27.122
  626   2HG2  ILE  85          2HG2      ILE  85   0.879  29.081 -26.052
  627   3HG2  ILE  85          3HG2      ILE  85   2.348  28.403 -25.341
  628   1HD1  ILE  85          1HD1      ILE  85   1.355  25.425 -28.496
  629   2HD1  ILE  85          2HD1      ILE  85   2.305  24.116 -27.761
  630   3HD1  ILE  85          3HD1      ILE  85   0.622  24.366 -27.264
  631    H    ILE  86           H        ILE  86   0.427  27.933 -22.543
  632    HA   ILE  86           HA       ILE  86  -2.268  29.145 -22.940
  633    HB   ILE  86           HB       ILE  86  -0.655  29.003 -20.394
  634   1HG1  ILE  86          2HG1      ILE  86  -2.881  27.259 -21.539
  635   2HG1  ILE  86          3HG1      ILE  86  -1.255  26.763 -21.096
  636   1HG2  ILE  86          1HG2      ILE  86  -2.768  29.725 -19.359
  637   2HG2  ILE  86          2HG2      ILE  86  -2.286  30.917 -20.550
  638   3HG2  ILE  86          3HG2      ILE  86  -3.575  29.759 -20.940
  639   1HD1  ILE  86          1HD1      ILE  86  -3.483  27.544 -19.187
  640   2HD1  ILE  86          2HD1      ILE  86  -2.738  25.959 -19.419
  641   3HD1  ILE  86          3HD1      ILE  86  -1.786  27.264 -18.708
  642    H    TYR  87           H        TYR  87  -2.464  31.068 -23.652
  643    HA   TYR  87           HA       TYR  87  -0.149  32.944 -23.662
  644   1HB   TYR  87          1HB       TYR  87  -2.548  32.588 -25.438
  645   2HB   TYR  87          2HB       TYR  87  -1.669  34.093 -25.417
  646    HD1  TYR  87           HD1      TYR  87   0.733  34.172 -26.028
  647    HD2  TYR  87           HD2      TYR  87  -1.736  30.720 -26.758
  648    HE1  TYR  87           HE1      TYR  87   2.262  33.488 -27.866
  649    HE2  TYR  87           HE2      TYR  87  -0.190  30.022 -28.601
  650    HH   TYR  87           HH       TYR  87   2.565  32.004 -29.612
  651    H    VAL  88           H        VAL  88  -0.349  34.920 -22.954
  652    HA   VAL  88           HA       VAL  88  -3.004  36.112 -22.309
  653    HB   VAL  88           HB       VAL  88  -0.457  36.332 -20.657
  654   1HG1  VAL  88          1HG1      VAL  88  -1.062  38.439 -20.285
  655   2HG1  VAL  88          2HG1      VAL  88  -2.651  38.278 -21.048
  656   3HG1  VAL  88          3HG1      VAL  88  -2.429  37.816 -19.357
  657   1HG2  VAL  88          1HG2      VAL  88  -2.030  34.395 -20.162
  658   2HG2  VAL  88          2HG2      VAL  88  -1.781  35.517 -18.825
  659   3HG2  VAL  88          3HG2      VAL  88  -3.268  35.606 -19.772
  660    H    GLY  89           H        GLY  89  -3.080  36.947 -24.365
  661   1HA   GLY  89          1HA       GLY  89  -2.600  38.523 -26.039
  662   2HA   GLY  89          2HA       GLY  89  -1.158  39.036 -25.135
  663    H    GLU  90           H        GLU  90   0.674  38.582 -26.186
  664    HA   GLU  90           HA       GLU  90   0.955  35.954 -27.604
  665   1HB   GLU  90          1HB       GLU  90   1.565  38.527 -28.584
  666   2HB   GLU  90          2HB       GLU  90   3.115  37.869 -28.088
  667   1HG   GLU  90          1HG       GLU  90   2.897  37.193 -30.327
  668   2HG   GLU  90          2HG       GLU  90   2.478  35.737 -29.424
  669    H    LEU  91           H        LEU  91   1.763  37.570 -24.717
  670    HA   LEU  91           HA       LEU  91   4.232  36.186 -24.078
  671   1HB   LEU  91          1HB       LEU  91   3.349  38.177 -22.799
  672   2HB   LEU  91          2HB       LEU  91   1.971  37.199 -22.304
  673    HG   LEU  91           HG       LEU  91   3.744  35.551 -21.300
  674   1HD1  LEU  91          1HD1      LEU  91   5.743  36.621 -22.332
  675   2HD1  LEU  91          2HD1      LEU  91   5.390  38.115 -21.437
  676   3HD1  LEU  91          3HD1      LEU  91   5.823  36.630 -20.564
  677   1HD2  LEU  91          1HD2      LEU  91   3.264  38.282 -20.085
  678   2HD2  LEU  91          2HD2      LEU  91   2.195  36.867 -19.946
  679   3HD2  LEU  91          3HD2      LEU  91   3.803  36.832 -19.208
  680    H    LYS  92           H        LYS  92   4.419  34.022 -23.732
  681    HA   LYS  92           HA       LYS  92   1.942  32.441 -23.246
  682   1HB   LYS  92          1HB       LYS  92   2.360  31.062 -24.950
  683   2HB   LYS  92          2HB       LYS  92   3.265  32.428 -25.579
  684   1HG   LYS  92          1HG       LYS  92   5.352  31.365 -24.472
  685   2HG   LYS  92          2HG       LYS  92   4.332  29.939 -24.212
  686   1HD   LYS  92          1HD       LYS  92   3.860  30.091 -26.796
  687   2HD   LYS  92          2HD       LYS  92   5.256  31.164 -26.823
  688   1HE   LYS  92          HE2       LYS  92   6.099  28.982 -27.319
  689   2HE   LYS  92          HE3       LYS  92   6.588  29.332 -25.655
  690   1HZ   LYS  92          HZ1       LYS  92   4.310  27.634 -26.504
  691   2HZ   LYS  92          HZ2       LYS  92   5.649  27.086 -25.735
  692   3HZ   LYS  92          HZ3       LYS  92   4.604  28.039 -24.945
  693    H    HIS  93           H        HIS  93   2.238  30.317 -22.323
  694    HA   HIS  93           HA       HIS  93   4.845  29.687 -21.109
  695   1HB   HIS  93          1HB       HIS  93   3.523  30.814 -19.319
  696   2HB   HIS  93          2HB       HIS  93   2.246  29.621 -19.538
  697    HD1  HIS  93           HD1      HIS  93   2.710  27.192 -18.415
  698    HD2  HIS  93           HD2      HIS  93   5.811  30.036 -18.103
  699    HE1  HIS  93           HE1      HIS  93   4.373  26.276 -16.723
  700    H    GLN  94           H        GLN  94   5.022  27.377 -20.644
  701    HA   GLN  94           HA       GLN  94   3.433  25.706 -22.517
  702   1HB   GLN  94          1HB       GLN  94   6.080  25.981 -22.452
  703   2HB   GLN  94          2HB       GLN  94   5.982  24.877 -21.098
  704   1HG   GLN  94          1HG       GLN  94   6.374  23.515 -22.977
  705   2HG   GLN  94          2HG       GLN  94   4.657  23.299 -22.640
  706   1HE2  GLN  94          2HE2      GLN  94   3.802  22.891 -24.720
  707   2HE2  GLN  94          1HE2      GLN  94   4.165  23.901 -26.110
  708    H    TRP  95           H        TRP  95   1.610  24.848 -21.450
  709    HA   TRP  95           HA       TRP  95   1.995  23.970 -18.625
  710   1HB   TRP  95          1HB       TRP  95   0.428  25.809 -18.839
  711   2HB   TRP  95          2HB       TRP  95  -0.521  24.875 -20.003
  712    HD1  TRP  95           HD1      TRP  95  -2.422  23.560 -19.029
  713    HE1  TRP  95           HE1      TRP  95  -3.057  22.494 -16.729
  714    HE3  TRP  95           HE3      TRP  95   1.787  24.743 -16.361
  715    HZ2  TRP  95           HZ2      TRP  95  -1.838  22.076 -14.217
  716    HZ3  TRP  95           HZ3      TRP  95   2.087  23.859 -14.074
  717    HH2  TRP  95           HH2      TRP  95   0.297  22.518 -12.991
  718    H    PHE  96           H        PHE  96   2.499  21.953 -18.646
  719    HA   PHE  96           HA       PHE  96   1.136  19.898 -20.224
  720   1HB   PHE  96          1HB       PHE  96   3.146  19.739 -17.945
  721   2HB   PHE  96          2HB       PHE  96   2.591  18.385 -18.927
  722    HD1  PHE  96           HD1      PHE  96   3.135  18.311 -21.395
  723    HD2  PHE  96           HD2      PHE  96   4.829  21.301 -18.784
  724    HE1  PHE  96           HE1      PHE  96   4.830  18.872 -23.122
  725    HE2  PHE  96           HE2      PHE  96   6.500  21.870 -20.522
  726    HZ   PHE  96           HZ       PHE  96   6.497  20.660 -22.699
  727    H    GLN  97           H        GLN  97  -0.989  20.014 -19.719
  728    HA   GLN  97           HA       GLN  97  -2.031  20.502 -17.077
  729   1HB   GLN  97          1HB       GLN  97  -3.212  21.266 -19.055
  730   2HB   GLN  97          2HB       GLN  97  -3.230  19.650 -19.732
  731   1HG   GLN  97          1HG       GLN  97  -5.421  20.295 -19.032
  732   2HG   GLN  97          2HG       GLN  97  -4.893  18.906 -18.105
  733   1HE2  GLN  97          2HE2      GLN  97  -7.048  20.158 -17.201
  734   2HE2  GLN  97          1HE2      GLN  97  -6.586  20.824 -15.619
  735    H    LYS  98           H        LYS  98  -3.097  19.236 -15.651
  736    HA   LYS  98           HA       LYS  98  -3.177  16.309 -16.105
  737   1HB   LYS  98          1HB       LYS  98  -2.238  15.745 -14.064
  738   2HB   LYS  98          2HB       LYS  98  -1.204  17.017 -14.666
  739   1HG   LYS  98          1HG       LYS  98  -1.367  17.877 -12.597
  740   2HG   LYS  98          2HG       LYS  98  -2.926  18.514 -13.110
  741   1HD   LYS  98          1HD       LYS  98  -4.046  16.484 -12.147
  742   2HD   LYS  98          2HD       LYS  98  -2.462  15.815 -11.742
  743   1HE   LYS  98          HE2       LYS  98  -3.221  16.678  -9.716
  744   2HE   LYS  98          HE3       LYS  98  -2.076  17.902 -10.298
  745   1HZ   LYS  98          HZ1       LYS  98  -4.127  18.954  -9.533
  746   2HZ   LYS  98          HZ2       LYS  98  -4.007  19.172 -11.121
  747   3HZ   LYS  98          HZ3       LYS  98  -5.032  17.985 -10.555
  748    H    GLY  99           H        GLY  99  -4.898  15.200 -15.193
  749   1HA   GLY  99          1HA       GLY  99  -7.013  15.737 -13.630
  750   2HA   GLY  99          2HA       GLY  99  -7.337  16.720 -15.076
  Start of MODEL    2
    1   1H    ILE   1           H1       ILE   1 -11.629  45.807  -9.329
    2   2H    ILE   1           H2       ILE   1 -10.674  45.106  -8.212
    3   3H    ILE   1           H3       ILE   1 -10.730  44.525  -9.779
    4    HA   ILE   1           HA       ILE   1 -11.965  43.085  -8.265
    5    HB   ILE   1           HB       ILE   1 -13.941  45.373  -8.043
    6   1HG1  ILE   1          2HG1      ILE   1 -12.081  46.117  -6.726
    7   2HG1  ILE   1          3HG1      ILE   1 -13.361  45.564  -5.670
    8   1HG2  ILE   1          1HG2      ILE   1 -13.739  42.624  -6.724
    9   2HG2  ILE   1          2HG2      ILE   1 -14.953  43.860  -6.336
   10   3HG2  ILE   1          3HG2      ILE   1 -14.924  43.130  -7.941
   11   1HD1  ILE   1          1HD1      ILE   1 -10.815  44.002  -6.319
   12   2HD1  ILE   1          2HD1      ILE   1 -11.170  44.881  -4.826
   13   3HD1  ILE   1          3HD1      ILE   1 -12.120  43.447  -5.241
   14    H    SER   2           H        SER   2 -13.647  45.531 -10.295
   15    HA   SER   2           HA       SER   2 -15.479  44.068 -11.645
   16   1HB   SER   2          1HB       SER   2 -15.403  45.823 -13.305
   17   2HB   SER   2          2HB       SER   2 -15.280  46.461 -11.668
   18    HG   SER   2           HG       SER   2 -12.727  46.199 -12.353
   19    H    LYS   3           H        LYS   3 -14.891  41.975 -12.193
   20    HA   LYS   3           HA       LYS   3 -13.122  41.367 -14.460
   21   1HB   LYS   3          1HB       LYS   3 -15.329  39.762 -13.128
   22   2HB   LYS   3          2HB       LYS   3 -14.220  39.156 -14.349
   23   1HG   LYS   3          1HG       LYS   3 -13.408  40.146 -11.588
   24   2HG   LYS   3          2HG       LYS   3 -13.582  38.476 -12.063
   25   1HD   LYS   3          1HD       LYS   3 -11.506  38.370 -12.870
   26   2HD   LYS   3          2HD       LYS   3 -11.765  39.721 -13.950
   27   1HE   LYS   3          HE2       LYS   3 -10.926  39.920 -11.019
   28   2HE   LYS   3          HE3       LYS   3  -9.859  40.100 -12.424
   29   1HZ   LYS   3          HZ1       LYS   3 -10.556  42.328 -11.680
   30   2HZ   LYS   3          HZ2       LYS   3 -11.241  42.000 -13.111
   31   3HZ   LYS   3          HZ3       LYS   3 -12.113  41.872 -11.692
   32    H    GLY   4           H        GLY   4 -14.395  43.486 -15.203
   33   1HA   GLY   4          1HA       GLY   4 -16.970  43.532 -16.184
   34   2HA   GLY   4          2HA       GLY   4 -15.662  44.565 -16.758
   35    H    LEU   5           H        LEU   5 -17.979  42.463 -17.701
   36    HA   LEU   5           HA       LEU   5 -16.839  41.081 -19.908
   37   1HB   LEU   5          1HB       LEU   5 -19.045  40.685 -18.660
   38   2HB   LEU   5          2HB       LEU   5 -19.697  42.058 -19.549
   39    HG   LEU   5           HG       LEU   5 -19.273  40.803 -21.702
   40   1HD1  LEU   5          1HD1      LEU   5 -18.553  38.521 -19.804
   41   2HD1  LEU   5          2HD1      LEU   5 -18.863  38.354 -21.547
   42   3HD1  LEU   5          3HD1      LEU   5 -17.476  39.281 -20.994
   43   1HD2  LEU   5          1HD2      LEU   5 -21.124  39.231 -21.400
   44   2HD2  LEU   5          2HD2      LEU   5 -20.972  39.366 -19.633
   45   3HD2  LEU   5          3HD2      LEU   5 -21.465  40.774 -20.601
   46    H    THR   6           H        THR   6 -17.495  44.452 -19.553
   47    HA   THR   6           HA       THR   6 -17.826  44.917 -22.463
   48    HB   THR   6           HB       THR   6 -18.656  47.161 -21.625
   49    HG1  THR   6           HG1      THR   6 -19.180  47.227 -19.438
   50   1HG2  THR   6          1HG2      THR   6 -20.841  46.325 -20.962
   51   2HG2  THR   6          2HG2      THR   6 -20.193  45.299 -22.252
   52   3HG2  THR   6          3HG2      THR   6 -20.166  44.729 -20.569
   53    H    TYR   7           H        TYR   7 -15.248  45.106 -20.243
   54    HA   TYR   7           HA       TYR   7 -14.092  47.584 -21.241
   55   1HB   TYR   7          1HB       TYR   7 -12.743  45.195 -19.937
   56   2HB   TYR   7          2HB       TYR   7 -12.019  46.777 -20.197
   57    HD1  TYR   7           HD1      TYR   7 -14.689  48.360 -19.290
   58    HD2  TYR   7           HD2      TYR   7 -12.207  45.263 -17.593
   59    HE1  TYR   7           HE1      TYR   7 -15.287  49.119 -17.012
   60    HE2  TYR   7           HE2      TYR   7 -12.817  46.038 -15.304
   61    HH   TYR   7           HH       TYR   7 -14.047  47.533 -14.039
   62    H    THR   8           H        THR   8 -12.384  47.867 -22.699
   63    HA   THR   8           HA       THR   8 -12.413  46.135 -25.016
   64    HB   THR   8           HB       THR   8 -12.048  48.590 -25.127
   65    HG1  THR   8           HG1      THR   8 -10.419  48.330 -26.726
   66   1HG2  THR   8          1HG2      THR   8 -10.376  48.857 -23.271
   67   2HG2  THR   8          2HG2      THR   8  -9.186  47.977 -24.256
   68   3HG2  THR   8          3HG2      THR   8  -9.831  49.532 -24.813
   69    H    MET   9           H        MET   9 -10.324  45.357 -25.980
   70    HA   MET   9           HA       MET   9  -9.183  43.337 -24.167
   71   1HB   MET   9          1HB       MET   9  -8.665  43.949 -27.108
   72   2HB   MET   9          2HB       MET   9  -7.987  42.578 -26.225
   73   1HG   MET   9          1HG       MET   9 -10.951  43.072 -26.723
   74   2HG   MET   9          2HG       MET   9  -9.925  41.935 -27.590
   75   1HE   MET   9          1HE       MET   9 -12.319  39.565 -25.563
   76   2HE   MET   9          2HE       MET   9 -12.762  41.159 -26.211
   77   3HE   MET   9          3HE       MET   9 -11.752  40.054 -27.174
   78    H    CYS  10           H        CYS  10  -7.200  43.368 -23.239
   79    HA   CYS  10           HA       CYS  10  -5.522  45.694 -23.207
   80   1HB   CYS  10          1HB       CYS  10  -4.841  42.818 -22.584
   81   2HB   CYS  10          2HB       CYS  10  -3.946  44.204 -22.036
   82    H    ASP  11           H        ASP  11  -3.503  46.097 -24.163
   83    HA   ASP  11           HA       ASP  11  -2.780  45.237 -26.734
   84   1HB   ASP  11          1HB       ASP  11  -2.009  47.295 -25.667
   85   2HB   ASP  11          2HB       ASP  11  -1.078  46.377 -24.487
   86    H    LYS  12           H        LYS  12  -2.177  43.314 -27.430
   87    HA   LYS  12           HA       LYS  12  -1.614  41.114 -25.796
   88   1HB   LYS  12          1HB       LYS  12  -0.964  41.541 -28.742
   89   2HB   LYS  12          2HB       LYS  12  -0.894  39.984 -27.922
   90   1HG   LYS  12          1HG       LYS  12  -3.370  40.369 -27.283
   91   2HG   LYS  12          2HG       LYS  12  -3.369  41.654 -28.494
   92   1HD   LYS  12          1HD       LYS  12  -2.586  38.742 -28.991
   93   2HD   LYS  12          2HD       LYS  12  -4.174  39.428 -29.359
   94   1HE   LYS  12          HE2       LYS  12  -3.335  40.807 -31.093
   95   2HE   LYS  12          HE3       LYS  12  -1.667  40.670 -30.521
   96   1HZ   LYS  12          HZ1       LYS  12  -3.180  38.414 -31.686
   97   2HZ   LYS  12          HZ2       LYS  12  -2.001  39.284 -32.454
   98   3HZ   LYS  12          HZ3       LYS  12  -1.622  38.372 -31.147
   99    H    ALA  13           H        ALA  13   0.669  43.566 -26.641
  100    HA   ALA  13           HA       ALA  13   2.988  41.718 -26.305
  101   1HB   ALA  13          1HB       ALA  13   4.221  43.467 -27.495
  102   2HB   ALA  13          2HB       ALA  13   2.781  42.985 -28.410
  103   3HB   ALA  13          3HB       ALA  13   2.781  44.509 -27.494
  104    H    LYS  14           H        LYS  14   1.290  43.797 -24.280
  105    HA   LYS  14           HA       LYS  14   3.752  44.926 -22.990
  106   1HB   LYS  14          1HB       LYS  14   0.833  45.658 -22.717
  107   2HB   LYS  14          2HB       LYS  14   2.121  46.469 -21.870
  108   1HG   LYS  14          1HG       LYS  14   1.827  46.331 -24.876
  109   2HG   LYS  14          2HG       LYS  14   1.263  47.663 -23.856
  110   1HD   LYS  14          1HD       LYS  14   3.703  47.941 -23.125
  111   2HD   LYS  14          2HD       LYS  14   4.129  46.822 -24.432
  112   1HE   LYS  14          HE2       LYS  14   2.666  49.493 -24.685
  113   2HE   LYS  14          HE3       LYS  14   4.340  49.172 -25.152
  114   1HZ   LYS  14          HZ1       LYS  14   3.436  47.577 -26.813
  115   2HZ   LYS  14          HZ2       LYS  14   1.900  48.000 -26.415
  116   3HZ   LYS  14          HZ3       LYS  14   2.894  49.111 -27.079
  117    H    PHE  15           H        PHE  15   2.250  42.170 -22.533
  118    HA   PHE  15           HA       PHE  15   1.684  42.210 -19.658
  119   1HB   PHE  15          1HB       PHE  15   1.518  40.140 -21.878
  120   2HB   PHE  15          2HB       PHE  15   1.323  39.681 -20.197
  121    HD1  PHE  15           HD1      PHE  15  -0.371  40.888 -18.740
  122    HD2  PHE  15           HD2      PHE  15  -0.404  41.025 -23.056
  123    HE1  PHE  15           HE1      PHE  15  -2.790  41.445 -18.704
  124    HE2  PHE  15           HE2      PHE  15  -2.804  41.608 -23.016
  125    HZ   PHE  15           HZ       PHE  15  -4.008  41.765 -20.815
  126    H    THR  16           H        THR  16   2.522  40.878 -18.123
  127    HA   THR  16           HA       THR  16   4.965  39.282 -18.596
  128    HB   THR  16           HB       THR  16   5.924  40.137 -16.455
  129    HG1  THR  16           HG1      THR  16   3.683  41.833 -16.659
  130   1HG2  THR  16          1HG2      THR  16   6.829  42.230 -17.284
  131   2HG2  THR  16          2HG2      THR  16   6.754  41.049 -18.606
  132   3HG2  THR  16          3HG2      THR  16   5.554  42.357 -18.507
  133    H    TRP  17           H        TRP  17   5.162  37.527 -17.135
  134    HA   TRP  17           HA       TRP  17   2.713  36.551 -15.914
  135   1HB   TRP  17          1HB       TRP  17   5.537  35.471 -16.090
  136   2HB   TRP  17          2HB       TRP  17   4.255  34.672 -15.197
  137    HD1  TRP  17           HD1      TRP  17   5.842  34.419 -18.403
  138    HE1  TRP  17           HE1      TRP  17   4.404  33.108 -20.106
  139    HE3  TRP  17           HE3      TRP  17   1.333  34.583 -15.959
  140    HZ2  TRP  17           HZ2      TRP  17   1.634  32.312 -20.378
  141    HZ3  TRP  17           HZ3      TRP  17  -0.672  33.582 -16.996
  142    HH2  TRP  17           HH2      TRP  17  -0.528  32.408 -19.172
  143    H    LYS  18           H        LYS  18   2.008  37.390 -14.088
  144    HA   LYS  18           HA       LYS  18   3.725  38.285 -11.851
  145   1HB   LYS  18          1HB       LYS  18   1.315  39.159 -12.631
  146   2HB   LYS  18          2HB       LYS  18   0.743  37.802 -11.666
  147   1HG   LYS  18          1HG       LYS  18   2.311  38.898  -9.817
  148   2HG   LYS  18          2HG       LYS  18   2.169  40.332 -10.834
  149   1HD   LYS  18          1HD       LYS  18  -0.038  38.771  -9.460
  150   2HD   LYS  18          2HD       LYS  18   0.523  40.378  -9.036
  151   1HE   LYS  18          HE2       LYS  18  -0.433  41.297 -11.140
  152   2HE   LYS  18          HE3       LYS  18  -0.941  39.677 -11.619
  153   1HZ   LYS  18          HZ1       LYS  18  -1.931  41.145  -9.244
  154   2HZ   LYS  18          HZ2       LYS  18  -2.830  40.773 -10.578
  155   3HZ   LYS  18          HZ3       LYS  18  -2.283  39.586  -9.556
  156    H    ARG  19           H        ARG  19   1.762  35.590 -12.870
  157    HA   ARG  19           HA       ARG  19   3.217  33.635 -11.203
  158   1HB   ARG  19          1HB       ARG  19   1.130  34.400  -9.925
  159   2HB   ARG  19          2HB       ARG  19   0.187  33.785 -11.284
  160   1HG   ARG  19          1HG       ARG  19   1.435  31.515 -10.786
  161   2HG   ARG  19          2HG       ARG  19   1.709  32.251  -9.202
  162   1HD   ARG  19          1HD       ARG  19  -0.950  31.726 -10.601
  163   2HD   ARG  19          2HD       ARG  19  -0.330  30.920  -9.167
  164    HE   ARG  19           HE       ARG  19  -1.092  33.856  -9.222
  165   1HH1  ARG  19          1HH1      ARG  19  -1.256  30.815  -7.484
  166   2HH1  ARG  19          2HH1      ARG  19  -2.171  31.532  -6.182
  167   1HH2  ARG  19          1HH2      ARG  19  -2.174  34.701  -7.658
  168   2HH2  ARG  19          2HH2      ARG  19  -2.691  33.753  -6.261
  169    H    ALA  20           H        ALA  20   3.952  32.293 -12.855
  170    HA   ALA  20           HA       ALA  20   2.669  31.951 -15.394
  171   1HB   ALA  20          1HB       ALA  20   5.063  31.494 -15.006
  172   2HB   ALA  20          2HB       ALA  20   4.641  30.160 -13.904
  173   3HB   ALA  20          3HB       ALA  20   4.248  30.050 -15.629
  174    HA   PRO  21           HA       PRO  21  -0.643  29.173 -14.603
  175   1HB   PRO  21          1HB       PRO  21   0.459  27.300 -16.685
  176   2HB   PRO  21          2HB       PRO  21  -1.210  27.920 -16.474
  177   1HG   PRO  21          1HG       PRO  21   0.430  29.000 -18.345
  178   2HG   PRO  21          2HG       PRO  21  -0.609  30.061 -17.340
  179   1HD   PRO  21          1HD       PRO  21   2.332  29.433 -16.997
  180   2HD   PRO  21          2HD       PRO  21   1.487  31.005 -16.876
  181    H    THR  22           H        THR  22  -1.046  27.826 -13.020
  182    HA   THR  22           HA       THR  22   0.600  25.382 -12.612
  183    HB   THR  22           HB       THR  22   1.501  26.905 -10.996
  184    HG1  THR  22           HG1      THR  22  -0.397  25.351  -9.552
  185   1HG2  THR  22          1HG2      THR  22  -1.309  27.371  -9.948
  186   2HG2  THR  22          2HG2      THR  22   0.194  27.956  -9.215
  187   3HG2  THR  22          3HG2      THR  22  -0.309  28.580 -10.796
  188    H    ASP  23           H        ASP  23  -0.499  23.714 -11.507
  189    HA   ASP  23           HA       ASP  23  -3.359  23.453 -11.645
  190   1HB   ASP  23          1HB       ASP  23  -1.605  21.611 -11.333
  191   2HB   ASP  23          2HB       ASP  23  -1.491  22.120  -9.652
  192    H    SER  24           H        SER  24  -4.850  24.090 -10.231
  193    HA   SER  24           HA       SER  24  -4.417  26.160  -8.219
  194   1HB   SER  24          1HB       SER  24  -6.922  25.848  -8.028
  195   2HB   SER  24          2HB       SER  24  -6.366  26.124  -9.697
  196    HG   SER  24           HG       SER  24  -7.594  24.400  -9.962
  197    H    GLY  25           H        GLY  25  -4.552  22.674  -8.218
  198   1HA   GLY  25          1HA       GLY  25  -4.458  21.256  -6.233
  199   2HA   GLY  25          2HA       GLY  25  -5.273  22.521  -5.309
  200    H    HIS  26           H        HIS  26  -6.777  22.613  -8.274
  201    HA   HIS  26           HA       HIS  26  -8.873  20.628  -7.508
  202   1HB   HIS  26          1HB       HIS  26  -9.382  22.879  -9.415
  203   2HB   HIS  26          2HB       HIS  26 -10.503  22.027  -8.387
  204    HD1  HIS  26           HD1      HIS  26  -9.934  25.383  -8.712
  205    HD2  HIS  26           HD2      HIS  26  -9.070  22.695  -5.533
  206    HE1  HIS  26           HE1      HIS  26  -9.788  26.752  -6.602
  207    H    ASP  27           H        ASP  27  -6.305  20.678  -9.630
  208    HA   ASP  27           HA       ASP  27  -5.812  19.854 -11.658
  209   1HB   ASP  27          1HB       ASP  27  -8.511  18.439 -11.625
  210   2HB   ASP  27          2HB       ASP  27  -7.261  18.230 -12.832
  211    H    THR  28           H        THR  28  -7.696  22.231 -11.088
  212    HA   THR  28           HA       THR  28  -8.190  23.122 -13.882
  213    HB   THR  28           HB       THR  28  -9.175  25.119 -12.905
  214    HG1  THR  28           HG1      THR  28  -9.290  25.442 -10.673
  215   1HG2  THR  28          1HG2      THR  28 -10.295  22.652 -11.491
  216   2HG2  THR  28          2HG2      THR  28 -11.110  24.213 -11.659
  217   3HG2  THR  28          3HG2      THR  28 -10.751  23.236 -13.096
  218    H    VAL  29           H        VAL  29  -7.291  25.359 -14.249
  219    HA   VAL  29           HA       VAL  29  -4.445  25.419 -13.394
  220    HB   VAL  29           HB       VAL  29  -5.551  26.290 -16.085
  221   1HG1  VAL  29          1HG1      VAL  29  -3.179  26.019 -16.748
  222   2HG1  VAL  29          2HG1      VAL  29  -3.347  27.207 -15.447
  223   3HG1  VAL  29          3HG1      VAL  29  -2.756  25.570 -15.088
  224   1HG2  VAL  29          1HG2      VAL  29  -4.413  23.591 -15.298
  225   2HG2  VAL  29          2HG2      VAL  29  -6.047  23.903 -15.905
  226   3HG2  VAL  29          3HG2      VAL  29  -4.672  24.151 -16.976
  227    H    VAL  30           H        VAL  30  -3.959  27.160 -12.259
  228    HA   VAL  30           HA       VAL  30  -5.458  29.701 -12.736
  229    HB   VAL  30           HB       VAL  30  -4.653  30.507 -10.549
  230   1HG1  VAL  30          1HG1      VAL  30  -6.413  28.052 -10.514
  231   2HG1  VAL  30          2HG1      VAL  30  -6.254  29.190  -9.163
  232   3HG1  VAL  30          3HG1      VAL  30  -6.901  29.747 -10.714
  233   1HG2  VAL  30          1HG2      VAL  30  -3.773  27.637 -10.074
  234   2HG2  VAL  30          2HG2      VAL  30  -2.756  29.099 -10.113
  235   3HG2  VAL  30          3HG2      VAL  30  -3.939  28.882  -8.819
  236    H    MET  31           H        MET  31  -4.329  31.597 -12.955
  237    HA   MET  31           HA       MET  31  -1.414  31.645 -12.946
  238   1HB   MET  31          1HB       MET  31  -1.058  32.182 -15.249
  239   2HB   MET  31          2HB       MET  31  -1.984  30.696 -15.216
  240   1HG   MET  31          1HG       MET  31  -3.997  32.564 -15.279
  241   2HG   MET  31          2HG       MET  31  -2.756  33.384 -16.200
  242   1HE   MET  31          1HE       MET  31  -5.327  30.431 -15.984
  243   2HE   MET  31          2HE       MET  31  -4.760  29.344 -17.274
  244   3HE   MET  31          3HE       MET  31  -3.785  29.565 -15.818
  245    H    GLU  32           H        GLU  32  -0.644  33.919 -13.574
  246    HA   GLU  32           HA       GLU  32  -2.713  35.963 -13.236
  247   1HB   GLU  32          1HB       GLU  32  -1.903  34.887 -10.977
  248   2HB   GLU  32          2HB       GLU  32  -0.485  35.922 -11.199
  249   1HG   GLU  32          1HG       GLU  32  -1.962  37.891 -11.281
  250   2HG   GLU  32          2HG       GLU  32  -3.371  36.852 -11.114
  251    H    VAL  33           H        VAL  33  -2.111  37.990 -13.976
  252    HA   VAL  33           HA       VAL  33   0.720  38.343 -14.886
  253    HB   VAL  33           HB       VAL  33  -0.134  39.330 -16.990
  254   1HG1  VAL  33          1HG1      VAL  33  -0.924  36.420 -16.698
  255   2HG1  VAL  33          2HG1      VAL  33  -0.174  37.256 -18.083
  256   3HG1  VAL  33          3HG1      VAL  33   0.758  36.973 -16.647
  257   1HG2  VAL  33          1HG2      VAL  33  -2.382  38.834 -17.767
  258   2HG2  VAL  33          2HG2      VAL  33  -2.777  38.000 -16.260
  259   3HG2  VAL  33          3HG2      VAL  33  -2.485  39.754 -16.261
  260    H    ALA  34           H        ALA  34   1.428  40.323 -15.492
  261    HA   ALA  34           HA       ALA  34   0.120  42.702 -14.274
  262   1HB   ALA  34          1HB       ALA  34   3.037  41.853 -14.083
  263   2HB   ALA  34          2HB       ALA  34   2.408  43.442 -13.595
  264   3HB   ALA  34          3HB       ALA  34   1.872  41.972 -12.756
  265    H    PHE  35           H        PHE  35   0.316  44.583 -15.510
  266    HA   PHE  35           HA       PHE  35   0.923  44.007 -18.374
  267   1HB   PHE  35          1HB       PHE  35  -1.335  43.303 -17.805
  268   2HB   PHE  35          2HB       PHE  35  -1.667  44.853 -17.032
  269    HD1  PHE  35           HD1      PHE  35  -0.309  43.671 -20.357
  270    HD2  PHE  35           HD2      PHE  35  -3.081  46.256 -18.298
  271    HE1  PHE  35           HE1      PHE  35  -1.002  44.657 -22.491
  272    HE2  PHE  35           HE2      PHE  35  -3.670  47.316 -20.466
  273    HZ   PHE  35           HZ       PHE  35  -2.593  46.567 -22.548
  274    H    SER  36           H        SER  36   1.937  45.570 -19.385
  275    HA   SER  36           HA       SER  36   2.341  48.138 -18.078
  276   1HB   SER  36          1HB       SER  36   3.605  47.462 -20.717
  277   2HB   SER  36          2HB       SER  36   4.240  48.356 -19.343
  278    HG   SER  36           HG       SER  36   3.830  45.527 -19.579
  279    H    GLY  37           H        GLY  37  -0.100  47.309 -20.124
  280   1HA   GLY  37          1HA       GLY  37  -0.125  49.876 -21.653
  281   2HA   GLY  37          2HA       GLY  37  -1.147  48.478 -21.959
  282    H    THR  38           H        THR  38  -3.060  49.762 -21.895
  283    HA   THR  38           HA       THR  38  -3.900  51.658 -20.172
  284    HB   THR  38           HB       THR  38  -5.888  49.587 -21.095
  285    HG1  THR  38           HG1      THR  38  -5.642  50.360 -23.222
  286   1HG2  THR  38          1HG2      THR  38  -6.697  51.793 -20.256
  287   2HG2  THR  38          2HG2      THR  38  -5.710  52.609 -21.492
  288   3HG2  THR  38          3HG2      THR  38  -7.070  51.567 -21.965
  289    H    LYS  39           H        LYS  39  -5.540  51.702 -18.461
  290    HA   LYS  39           HA       LYS  39  -6.440  49.161 -17.361
  291   1HB   LYS  39          1HB       LYS  39  -5.678  51.423 -15.471
  292   2HB   LYS  39          2HB       LYS  39  -6.407  49.883 -15.039
  293   1HG   LYS  39          1HG       LYS  39  -3.619  50.288 -16.152
  294   2HG   LYS  39          2HG       LYS  39  -4.009  50.049 -14.457
  295   1HD   LYS  39          1HD       LYS  39  -4.671  47.787 -14.756
  296   2HD   LYS  39          2HD       LYS  39  -4.764  47.914 -16.494
  297   1HE   LYS  39          HE2       LYS  39  -2.229  48.076 -14.809
  298   2HE   LYS  39          HE3       LYS  39  -2.756  46.707 -15.794
  299   1HZ   LYS  39          HZ1       LYS  39  -2.693  48.360 -17.725
  300   2HZ   LYS  39          HZ2       LYS  39  -1.846  49.345 -16.775
  301   3HZ   LYS  39          HZ3       LYS  39  -1.212  47.875 -17.107
  302    HA   PRO  40           HA       PRO  40  -8.297  48.390 -16.513
  303   1HB   PRO  40          1HB       PRO  40 -10.816  47.739 -17.171
  304   2HB   PRO  40          2HB       PRO  40 -10.493  48.741 -15.723
  305   1HG   PRO  40          1HG       PRO  40 -11.297  49.683 -18.505
  306   2HG   PRO  40          2HG       PRO  40 -12.037  50.137 -16.937
  307   1HD   PRO  40          1HD       PRO  40 -10.097  51.646 -18.188
  308   2HD   PRO  40          2HD       PRO  40 -10.244  51.569 -16.409
  309    H    CYS  41           H        CYS  41  -8.474  46.428 -17.847
  310    HA   CYS  41           HA       CYS  41  -9.700  46.611 -20.454
  311   1HB   CYS  41          1HB       CYS  41  -7.799  45.790 -21.785
  312   2HB   CYS  41          2HB       CYS  41  -7.511  47.381 -21.110
  313    H    ARG  42           H        ARG  42  -9.996  44.505 -21.430
  314    HA   ARG  42           HA       ARG  42 -10.160  42.193 -19.570
  315   1HB   ARG  42          1HB       ARG  42 -12.081  42.459 -20.903
  316   2HB   ARG  42          2HB       ARG  42 -11.139  42.793 -22.368
  317   1HG   ARG  42          1HG       ARG  42 -10.481  40.515 -22.627
  318   2HG   ARG  42          2HG       ARG  42 -10.983  40.082 -20.993
  319   1HD   ARG  42          1HD       ARG  42 -12.487  39.400 -23.023
  320   2HD   ARG  42          2HD       ARG  42 -13.163  39.973 -21.496
  321    HE   ARG  42           HE       ARG  42 -12.748  42.053 -23.525
  322   1HH1  ARG  42          1HH1      ARG  42 -15.187  39.930 -22.001
  323   2HH1  ARG  42          2HH1      ARG  42 -16.434  41.113 -22.413
  324   1HH2  ARG  42          1HH2      ARG  42 -14.427  43.572 -23.429
  325   2HH2  ARG  42          2HH2      ARG  42 -16.053  42.944 -23.158
  326    H    ILE  43           H        ILE  43  -8.842  40.535 -19.607
  327    HA   ILE  43           HA       ILE  43  -6.277  40.837 -20.942
  328    HB   ILE  43           HB       ILE  43  -7.235  38.535 -19.212
  329   1HG1  ILE  43          2HG1      ILE  43  -5.920  41.189 -18.465
  330   2HG1  ILE  43          3HG1      ILE  43  -7.497  40.603 -17.947
  331   1HG2  ILE  43          1HG2      ILE  43  -4.415  39.580 -19.662
  332   2HG2  ILE  43          2HG2      ILE  43  -4.914  38.040 -18.946
  333   3HG2  ILE  43          3HG2      ILE  43  -5.112  38.325 -20.682
  334   1HD1  ILE  43          1HD1      ILE  43  -6.327  38.723 -16.716
  335   2HD1  ILE  43          2HD1      ILE  43  -4.804  39.567 -17.065
  336   3HD1  ILE  43          3HD1      ILE  43  -6.055  40.366 -16.107
  337    HA   PRO  44           HA       PRO  44  -7.845  38.331 -24.441
  338   1HB   PRO  44          1HB       PRO  44  -5.709  38.569 -26.124
  339   2HB   PRO  44          2HB       PRO  44  -6.874  39.897 -25.835
  340   1HG   PRO  44          1HG       PRO  44  -4.178  39.484 -24.506
  341   2HG   PRO  44          2HG       PRO  44  -4.825  40.968 -25.258
  342   1HD   PRO  44          1HD       PRO  44  -4.936  40.484 -22.579
  343   2HD   PRO  44          2HD       PRO  44  -6.247  41.360 -23.435
  344    H    VAL  45           H        VAL  45  -7.873  36.534 -23.094
  345    HA   VAL  45           HA       VAL  45  -5.427  34.857 -22.848
  346    HB   VAL  45           HB       VAL  45  -7.717  35.589 -21.081
  347   1HG1  VAL  45          1HG1      VAL  45  -8.104  33.166 -21.123
  348   2HG1  VAL  45          2HG1      VAL  45  -6.375  32.880 -20.785
  349   3HG1  VAL  45          3HG1      VAL  45  -7.421  33.672 -19.588
  350   1HG2  VAL  45          1HG2      VAL  45  -6.035  36.057 -19.610
  351   2HG2  VAL  45          2HG2      VAL  45  -4.998  34.710 -20.151
  352   3HG2  VAL  45          3HG2      VAL  45  -5.091  36.193 -21.097
  353    H    ARG  46           H        ARG  46  -5.330  32.860 -23.368
  354    HA   ARG  46           HA       ARG  46  -7.568  31.172 -24.160
  355   1HB   ARG  46          1HB       ARG  46  -6.696  30.766 -26.458
  356   2HB   ARG  46          2HB       ARG  46  -7.243  32.432 -26.247
  357   1HG   ARG  46          1HG       ARG  46  -4.829  33.068 -25.807
  358   2HG   ARG  46          2HG       ARG  46  -4.377  31.410 -26.257
  359   1HD   ARG  46          1HD       ARG  46  -4.889  31.757 -28.512
  360   2HD   ARG  46          2HD       ARG  46  -5.927  33.155 -28.168
  361    HE   ARG  46           HE       ARG  46  -3.777  34.286 -27.343
  362   1HH1  ARG  46          1HH1      ARG  46  -3.610  32.111 -30.134
  363   2HH1  ARG  46          2HH1      ARG  46  -2.199  32.965 -30.724
  364   1HH2  ARG  46          1HH2      ARG  46  -1.969  35.203 -28.125
  365   2HH2  ARG  46          2HH2      ARG  46  -1.280  34.718 -29.625
  366    H    ALA  47           H        ALA  47  -6.809  28.977 -24.505
  367    HA   ALA  47           HA       ALA  47  -3.931  28.427 -23.921
  368   1HB   ALA  47          1HB       ALA  47  -5.226  27.816 -21.901
  369   2HB   ALA  47          2HB       ALA  47  -6.327  26.837 -22.902
  370   3HB   ALA  47          3HB       ALA  47  -4.624  26.374 -22.756
  371    H    VAL  48           H        VAL  48  -3.010  27.417 -25.656
  372    HA   VAL  48           HA       VAL  48  -4.922  26.086 -27.540
  373    HB   VAL  48           HB       VAL  48  -3.687  26.775 -29.375
  374   1HG1  VAL  48          1HG1      VAL  48  -5.363  28.346 -28.437
  375   2HG1  VAL  48          2HG1      VAL  48  -4.070  29.185 -27.548
  376   3HG1  VAL  48          3HG1      VAL  48  -4.077  29.181 -29.317
  377   1HG2  VAL  48          1HG2      VAL  48  -1.722  28.145 -27.503
  378   2HG2  VAL  48          2HG2      VAL  48  -1.370  26.807 -28.622
  379   3HG2  VAL  48          3HG2      VAL  48  -1.800  28.404 -29.251
  380    H    ALA  49           H        ALA  49  -4.818  24.015 -27.705
  381    HA   ALA  49           HA       ALA  49  -2.900  22.429 -26.319
  382   1HB   ALA  49          1HB       ALA  49  -4.888  21.660 -28.496
  383   2HB   ALA  49          2HB       ALA  49  -4.036  20.532 -27.419
  384   3HB   ALA  49          3HB       ALA  49  -5.195  21.688 -26.740
  385    H    HIS  50           H        HIS  50  -1.120  21.285 -26.953
  386    HA   HIS  50           HA       HIS  50   0.570  22.290 -28.893
  387   1HB   HIS  50          1HB       HIS  50   1.108  20.977 -26.864
  388   2HB   HIS  50          2HB       HIS  50   0.665  19.495 -27.710
  389    HD1  HIS  50           HD1      HIS  50   3.589  21.311 -26.769
  390    HD2  HIS  50           HD2      HIS  50   2.266  19.389 -30.294
  391    HE1  HIS  50           HE1      HIS  50   5.666  20.902 -28.240
  392    H    GLY  51           H        GLY  51  -0.339  22.499 -30.878
  393   1HA   GLY  51          1HA       GLY  51   0.271  21.136 -33.058
  394   2HA   GLY  51          2HA       GLY  51  -1.042  20.104 -32.500
  395    H    ALA  52           H        ALA  52  -2.401  22.796 -31.458
  396    HA   ALA  52           HA       ALA  52  -3.224  23.893 -34.119
  397   1HB   ALA  52          1HB       ALA  52  -5.570  23.661 -33.520
  398   2HB   ALA  52          2HB       ALA  52  -4.762  22.086 -33.608
  399   3HB   ALA  52          3HB       ALA  52  -5.127  22.809 -32.022
  400    HA   PRO  53           HA       PRO  53  -2.448  27.293 -31.057
  401   1HB   PRO  53          1HB       PRO  53  -1.301  29.095 -32.759
  402   2HB   PRO  53          2HB       PRO  53  -0.402  27.747 -31.996
  403   1HG   PRO  53          1HG       PRO  53  -1.662  27.813 -34.759
  404   2HG   PRO  53          2HG       PRO  53   0.010  27.328 -34.322
  405   1HD   PRO  53          1HD       PRO  53  -1.958  25.501 -34.681
  406   2HD   PRO  53          2HD       PRO  53  -0.739  25.278 -33.389
  407    H    ASP  54           H        ASP  54  -4.255  26.973 -33.937
  408    HA   ASP  54           HA       ASP  54  -5.775  29.379 -33.994
  409   1HB   ASP  54          1HB       ASP  54  -6.824  26.716 -34.947
  410   2HB   ASP  54          2HB       ASP  54  -6.905  28.290 -35.725
  411    H    VAL  55           H        VAL  55  -5.978  26.508 -31.947
  412    HA   VAL  55           HA       VAL  55  -8.873  27.016 -31.398
  413    HB   VAL  55           HB       VAL  55  -7.311  24.425 -31.124
  414   1HG1  VAL  55          1HG1      VAL  55 -10.283  25.056 -30.759
  415   2HG1  VAL  55          2HG1      VAL  55  -9.571  23.428 -30.775
  416   3HG1  VAL  55          3HG1      VAL  55  -9.161  24.553 -29.481
  417   1HG2  VAL  55          1HG2      VAL  55  -9.406  25.329 -33.153
  418   2HG2  VAL  55          2HG2      VAL  55  -7.693  25.002 -33.487
  419   3HG2  VAL  55          3HG2      VAL  55  -8.758  23.678 -33.008
  420    H    ASP  56           H        ASP  56  -9.057  28.279 -29.673
  421    HA   ASP  56           HA       ASP  56  -7.530  27.915 -27.237
  422   1HB   ASP  56          1HB       ASP  56  -8.693  30.040 -27.791
  423   2HB   ASP  56          2HB       ASP  56 -10.250  29.220 -27.604
  424    H    VAL  57           H        VAL  57  -7.829  26.488 -25.714
  425    HA   VAL  57           HA       VAL  57 -10.295  24.800 -25.564
  426    HB   VAL  57           HB       VAL  57  -9.040  22.945 -24.802
  427   1HG1  VAL  57          1HG1      VAL  57  -7.720  22.351 -26.742
  428   2HG1  VAL  57          2HG1      VAL  57  -9.149  23.265 -27.262
  429   3HG1  VAL  57          3HG1      VAL  57  -7.556  24.051 -27.217
  430   1HG2  VAL  57          1HG2      VAL  57  -6.481  24.578 -24.994
  431   2HG2  VAL  57          2HG2      VAL  57  -7.243  24.026 -23.489
  432   3HG2  VAL  57          3HG2      VAL  57  -6.605  22.865 -24.665
  433    H    ALA  58           H        ALA  58  -9.025  27.410 -24.065
  434    HA   ALA  58           HA       ALA  58  -9.015  26.652 -21.290
  435   1HB   ALA  58          1HB       ALA  58  -9.309  29.351 -22.675
  436   2HB   ALA  58          2HB       ALA  58  -9.047  29.112 -20.946
  437   3HB   ALA  58          3HB       ALA  58  -7.800  28.606 -22.106
  438    H    MET  59           H        MET  59 -10.932  25.572 -20.660
  439    HA   MET  59           HA       MET  59 -13.490  27.074 -20.859
  440   1HB   MET  59          1HB       MET  59 -12.764  24.357 -19.731
  441   2HB   MET  59          2HB       MET  59 -14.366  25.093 -19.558
  442   1HG   MET  59          1HG       MET  59 -14.732  25.182 -21.905
  443   2HG   MET  59          2HG       MET  59 -13.051  24.840 -22.287
  444   1HE   MET  59          1HE       MET  59 -11.982  22.640 -22.577
  445   2HE   MET  59          2HE       MET  59 -12.068  22.383 -20.820
  446   3HE   MET  59          3HE       MET  59 -12.596  21.100 -21.933
  447    H    LEU  60           H        LEU  60 -13.177  28.903 -19.747
  448    HA   LEU  60           HA       LEU  60 -11.721  29.289 -17.378
  449   1HB   LEU  60          1HB       LEU  60 -14.003  30.956 -18.454
  450   2HB   LEU  60          2HB       LEU  60 -12.812  31.473 -17.278
  451    HG   LEU  60           HG       LEU  60 -11.410  30.447 -19.629
  452   1HD1  LEU  60          1HD1      LEU  60 -13.385  32.698 -20.183
  453   2HD1  LEU  60          2HD1      LEU  60 -12.130  32.083 -21.287
  454   3HD1  LEU  60          3HD1      LEU  60 -13.488  31.045 -20.838
  455   1HD2  LEU  60          1HD2      LEU  60 -11.597  33.248 -18.474
  456   2HD2  LEU  60          2HD2      LEU  60 -10.426  31.998 -17.999
  457   3HD2  LEU  60          3HD2      LEU  60 -10.388  32.666 -19.642
  458    H    ILE  61           H        ILE  61 -12.052  28.951 -15.329
  459    HA   ILE  61           HA       ILE  61 -14.664  27.983 -14.263
  460    HB   ILE  61           HB       ILE  61 -11.878  27.918 -13.073
  461   1HG1  ILE  61          2HG1      ILE  61 -11.847  26.463 -14.990
  462   2HG1  ILE  61          3HG1      ILE  61 -11.808  25.518 -13.527
  463   1HG2  ILE  61          1HG2      ILE  61 -13.486  27.837 -11.282
  464   2HG2  ILE  61          2HG2      ILE  61 -14.430  26.581 -12.109
  465   3HG2  ILE  61          3HG2      ILE  61 -12.800  26.230 -11.486
  466   1HD1  ILE  61          1HD1      ILE  61 -14.240  25.922 -15.323
  467   2HD1  ILE  61          2HD1      ILE  61 -13.234  24.470 -15.208
  468   3HD1  ILE  61          3HD1      ILE  61 -14.222  24.957 -13.823
  469    H    THR  62           H        THR  62 -12.216  30.529 -13.911
  470    HA   THR  62           HA       THR  62 -14.017  32.002 -12.045
  471    HB   THR  62           HB       THR  62 -11.313  31.776 -11.928
  472    HG1  THR  62           HG1      THR  62 -12.427  32.532 -10.294
  473   1HG2  THR  62          1HG2      THR  62 -11.704  34.523 -13.158
  474   2HG2  THR  62          2HG2      THR  62 -10.229  33.832 -12.482
  475   3HG2  THR  62          3HG2      THR  62 -10.925  33.155 -13.979
  476    HA   PRO  63           HA       PRO  63 -15.800  34.513 -15.166
  477   1HB   PRO  63          1HB       PRO  63 -14.687  36.983 -13.832
  478   2HB   PRO  63          2HB       PRO  63 -16.362  36.682 -14.393
  479   1HG   PRO  63          1HG       PRO  63 -15.761  36.469 -11.774
  480   2HG   PRO  63          2HG       PRO  63 -16.763  35.193 -12.546
  481   1HD   PRO  63          1HD       PRO  63 -13.793  35.155 -11.952
  482   2HD   PRO  63          2HD       PRO  63 -15.017  33.883 -11.659
  483    H    ASN  64           H        ASN  64 -15.582  36.025 -16.886
  484    HA   ASN  64           HA       ASN  64 -13.579  36.350 -18.675
  485   1HB   ASN  64          1HB       ASN  64 -15.780  37.096 -19.068
  486   2HB   ASN  64          2HB       ASN  64 -15.789  38.149 -17.659
  487   1HD2  ASN  64          2HD2      ASN  64 -14.228  39.980 -17.735
  488   2HD2  ASN  64          1HD2      ASN  64 -14.389  40.968 -19.189
  489    HA   PRO  65           HA       PRO  65 -10.685  38.101 -15.720
  490   1HB   PRO  65          1HB       PRO  65  -8.305  37.722 -17.014
  491   2HB   PRO  65          2HB       PRO  65  -9.254  36.397 -16.277
  492   1HG   PRO  65          1HG       PRO  65  -9.242  37.280 -19.185
  493   2HG   PRO  65          2HG       PRO  65  -9.044  35.621 -18.533
  494   1HD   PRO  65          1HD       PRO  65 -11.450  36.533 -19.402
  495   2HD   PRO  65          2HD       PRO  65 -11.337  35.485 -17.954
  496    H    THR  66           H        THR  66  -9.869  40.091 -15.278
  497    HA   THR  66           HA       THR  66  -9.297  41.974 -17.499
  498    HB   THR  66           HB       THR  66 -10.367  43.808 -16.299
  499    HG1  THR  66           HG1      THR  66 -11.787  43.324 -14.583
  500   1HG2  THR  66          1HG2      THR  66 -11.687  42.610 -18.008
  501   2HG2  THR  66          2HG2      THR  66 -12.296  41.494 -16.771
  502   3HG2  THR  66          3HG2      THR  66 -12.702  43.219 -16.705
  503    H    MET  67           H        MET  67  -7.984  43.709 -17.025
  504    HA   MET  67           HA       MET  67  -6.284  43.497 -14.593
  505   1HB   MET  67          1HB       MET  67  -5.373  43.140 -17.227
  506   2HB   MET  67          2HB       MET  67  -5.014  44.839 -16.903
  507   1HG   MET  67          1HG       MET  67  -4.285  42.485 -15.114
  508   2HG   MET  67          2HG       MET  67  -3.176  43.265 -16.234
  509   1HE   MET  67          1HE       MET  67  -3.308  42.719 -12.856
  510   2HE   MET  67          2HE       MET  67  -1.801  43.135 -13.687
  511   3HE   MET  67          3HE       MET  67  -2.346  44.106 -12.300
  512    H    GLU  68           H        GLU  68  -6.180  45.375 -13.378
  513    HA   GLU  68           HA       GLU  68  -7.954  47.565 -14.351
  514   1HB   GLU  68          1HB       GLU  68  -8.175  46.156 -11.676
  515   2HB   GLU  68          2HB       GLU  68  -9.220  47.405 -12.315
  516   1HG   GLU  68          1HG       GLU  68 -10.109  45.876 -14.008
  517   2HG   GLU  68          2HG       GLU  68  -8.998  44.595 -13.479
  518    H    ASN  69           H        ASN  69  -8.116  49.326 -12.872
  519    HA   ASN  69           HA       ASN  69  -5.630  50.193 -11.525
  520   1HB   ASN  69          1HB       ASN  69  -7.123  52.294 -11.240
  521   2HB   ASN  69          2HB       ASN  69  -6.594  51.866 -12.869
  522   1HD2  ASN  69          2HD2      ASN  69  -8.320  52.696 -14.131
  523   2HD2  ASN  69          1HD2      ASN  69  -9.962  52.114 -13.892
  524    H    ASN  70           H        ASN  70  -8.422  48.454 -10.754
  525    HA   ASN  70           HA       ASN  70  -8.175  49.014  -7.840
  526   1HB   ASN  70          1HB       ASN  70 -10.563  48.946  -7.625
  527   2HB   ASN  70          2HB       ASN  70 -10.138  50.138  -8.845
  528   1HD2  ASN  70          1HD2      ASN  70 -10.535  49.531 -11.222
  529   2HD2  ASN  70          2HD2      ASN  70 -11.653  48.155 -11.472
  530    H    GLY  71           H        GLY  71  -6.924  46.854  -9.522
  531   1HA   GLY  71          1HA       GLY  71  -6.577  44.755  -7.981
  532   2HA   GLY  71          2HA       GLY  71  -8.211  44.372  -8.541
  533    H    GLY  72           H        GLY  72  -7.385  42.464  -9.558
  534   1HA   GLY  72          1HA       GLY  72  -7.752  41.817 -11.800
  535   2HA   GLY  72          2HA       GLY  72  -6.792  43.165 -12.369
  536    H    GLY  73           H        GLY  73  -6.442  41.052 -13.660
  537   1HA   GLY  73          1HA       GLY  73  -4.487  40.128 -14.609
  538   2HA   GLY  73          2HA       GLY  73  -3.655  40.257 -13.082
  539    H    PHE  74           H        PHE  74  -6.422  38.720 -12.135
  540    HA   PHE  74           HA       PHE  74  -5.016  36.106 -12.219
  541   1HB   PHE  74          1HB       PHE  74  -5.505  37.125 -10.025
  542   2HB   PHE  74          2HB       PHE  74  -7.223  37.144 -10.405
  543    HD1  PHE  74           HD1      PHE  74  -4.283  34.855  -9.910
  544    HD2  PHE  74           HD2      PHE  74  -8.586  35.198 -10.030
  545    HE1  PHE  74           HE1      PHE  74  -4.497  32.520  -9.112
  546    HE2  PHE  74           HE2      PHE  74  -8.788  32.856  -9.239
  547    HZ   PHE  74           HZ       PHE  74  -6.752  31.520  -8.774
  548    H    ILE  75           H        ILE  75  -5.979  34.140 -12.564
  549    HA   ILE  75           HA       ILE  75  -8.551  33.997 -14.024
  550    HB   ILE  75           HB       ILE  75  -6.028  32.835 -15.208
  551   1HG1  ILE  75          2HG1      ILE  75  -7.046  35.641 -15.778
  552   2HG1  ILE  75          3HG1      ILE  75  -5.475  35.196 -15.098
  553   1HG2  ILE  75          1HG2      ILE  75  -8.692  33.592 -16.469
  554   2HG2  ILE  75          2HG2      ILE  75  -7.342  32.752 -17.270
  555   3HG2  ILE  75          3HG2      ILE  75  -8.201  31.954 -15.984
  556   1HD1  ILE  75          1HD1      ILE  75  -6.379  34.637 -17.909
  557   2HD1  ILE  75          2HD1      ILE  75  -5.214  35.856 -17.381
  558   3HD1  ILE  75          3HD1      ILE  75  -4.826  34.134 -17.212
  559    H    GLU  76           H        GLU  76  -9.453  31.903 -13.932
  560    HA   GLU  76           HA       GLU  76  -7.760  29.600 -13.303
  561   1HB   GLU  76          1HB       GLU  76  -9.060  30.176 -11.190
  562   2HB   GLU  76          2HB       GLU  76 -10.536  29.837 -12.102
  563   1HG   GLU  76          1HG       GLU  76  -9.761  27.526 -12.547
  564   2HG   GLU  76          2HG       GLU  76  -8.289  27.835 -11.665
  565    H    MET  77           H        MET  77  -8.072  28.067 -14.843
  566    HA   MET  77           HA       MET  77 -10.638  27.821 -16.320
  567   1HB   MET  77          1HB       MET  77  -9.354  27.664 -18.474
  568   2HB   MET  77          2HB       MET  77  -9.356  29.281 -17.764
  569   1HG   MET  77          1HG       MET  77  -7.109  29.036 -16.940
  570   2HG   MET  77          2HG       MET  77  -7.107  27.313 -17.284
  571   1HE   MET  77          1HE       MET  77  -8.015  30.572 -19.388
  572   2HE   MET  77          2HE       MET  77  -6.412  30.902 -18.681
  573   3HE   MET  77          3HE       MET  77  -6.580  30.649 -20.433
  574    H    GLN  78           H        GLN  78 -10.749  25.709 -17.569
  575    HA   GLN  78           HA       GLN  78  -8.694  23.738 -16.699
  576   1HB   GLN  78          1HB       GLN  78 -10.829  23.510 -15.388
  577   2HB   GLN  78          2HB       GLN  78 -11.639  23.029 -16.886
  578   1HG   GLN  78          1HG       GLN  78 -10.321  21.027 -17.054
  579   2HG   GLN  78          2HG       GLN  78  -9.110  21.633 -15.914
  580   1HE2  GLN  78          2HE2      GLN  78  -9.165  20.393 -14.037
  581   2HE2  GLN  78          1HE2      GLN  78 -10.705  19.945 -13.289
  582    H    LEU  79           H        LEU  79  -8.375  21.952 -18.091
  583    HA   LEU  79           HA       LEU  79  -8.709  22.622 -20.958
  584   1HB   LEU  79          1HB       LEU  79  -6.128  22.398 -19.331
  585   2HB   LEU  79          2HB       LEU  79  -6.186  22.383 -21.076
  586    HG   LEU  79           HG       LEU  79  -7.167  24.724 -21.023
  587   1HD1  LEU  79          1HD1      LEU  79  -7.838  25.476 -18.973
  588   2HD1  LEU  79          2HD1      LEU  79  -6.816  24.316 -18.083
  589   3HD1  LEU  79          3HD1      LEU  79  -6.136  25.814 -18.705
  590   1HD2  LEU  79          1HD2      LEU  79  -4.873  24.252 -21.566
  591   2HD2  LEU  79          2HD2      LEU  79  -4.913  25.692 -20.545
  592   3HD2  LEU  79          3HD2      LEU  79  -4.427  24.136 -19.845
  593    HA   PRO  80           HA       PRO  80  -8.165  18.122 -21.588
  594   1HB   PRO  80          1HB       PRO  80  -6.275  18.881 -23.796
  595   2HB   PRO  80          2HB       PRO  80  -7.695  17.800 -23.842
  596   1HG   PRO  80          1HG       PRO  80  -7.785  20.307 -24.906
  597   2HG   PRO  80          2HG       PRO  80  -9.188  19.643 -24.003
  598   1HD   PRO  80          1HD       PRO  80  -7.013  21.492 -22.996
  599   2HD   PRO  80          2HD       PRO  80  -8.791  21.631 -22.810
  600    HA   PRO  81           HA       PRO  81  -4.159  17.437 -19.396
  601   1HB   PRO  81          1HB       PRO  81  -4.963  14.658 -20.261
  602   2HB   PRO  81          2HB       PRO  81  -4.199  15.182 -18.723
  603   1HG   PRO  81          1HG       PRO  81  -6.856  14.746 -18.777
  604   2HG   PRO  81          2HG       PRO  81  -6.239  16.244 -18.002
  605   1HD   PRO  81          1HD       PRO  81  -7.375  15.916 -20.794
  606   2HD   PRO  81          2HD       PRO  81  -7.741  17.169 -19.565
  607    H    GLY  82           H        GLY  82  -2.127  17.411 -20.143
  608   1HA   GLY  82          1HA       GLY  82  -0.545  16.546 -21.991
  609   2HA   GLY  82          2HA       GLY  82  -1.790  17.114 -23.111
  610    H    ASP  83           H        ASP  83   0.396  18.233 -23.769
  611    HA   ASP  83           HA       ASP  83   1.021  20.671 -22.293
  612   1HB   ASP  83          1HB       ASP  83   2.750  19.491 -23.577
  613   2HB   ASP  83          2HB       ASP  83   1.874  19.800 -25.068
  614    H    ASN  84           H        ASN  84  -0.024  22.435 -22.350
  615    HA   ASN  84           HA       ASN  84  -1.614  23.306 -24.719
  616   1HB   ASN  84          1HB       ASN  84  -2.290  23.649 -21.762
  617   2HB   ASN  84          2HB       ASN  84  -3.170  24.342 -23.124
  618   1HD2  ASN  84          2HD2      ASN  84  -2.315  21.113 -21.608
  619   2HD2  ASN  84          1HD2      ASN  84  -3.891  20.471 -22.071
  620    H    ILE  85           H        ILE  85  -0.675  25.092 -25.540
  621    HA   ILE  85           HA       ILE  85   1.231  26.664 -23.926
  622    HB   ILE  85           HB       ILE  85   0.339  27.053 -26.811
  623   1HG1  ILE  85          2HG1      ILE  85   2.989  26.276 -26.890
  624   2HG1  ILE  85          3HG1      ILE  85   2.426  25.328 -25.525
  625   1HG2  ILE  85          1HG2      ILE  85   2.609  28.274 -25.174
  626   2HG2  ILE  85          2HG2      ILE  85   2.344  28.513 -26.917
  627   3HG2  ILE  85          3HG2      ILE  85   1.159  29.122 -25.759
  628   1HD1  ILE  85          1HD1      ILE  85   2.287  24.059 -27.611
  629   2HD1  ILE  85          2HD1      ILE  85   0.656  24.318 -26.978
  630   3HD1  ILE  85          3HD1      ILE  85   1.247  25.302 -28.338
  631    H    ILE  86           H        ILE  86   0.259  27.840 -22.407
  632    HA   ILE  86           HA       ILE  86  -2.380  29.092 -22.902
  633    HB   ILE  86           HB       ILE  86  -0.763  29.109 -20.341
  634   1HG1  ILE  86          2HG1      ILE  86  -2.870  27.190 -21.420
  635   2HG1  ILE  86          3HG1      ILE  86  -1.250  26.823 -20.854
  636   1HG2  ILE  86          1HG2      ILE  86  -2.957  29.753 -19.363
  637   2HG2  ILE  86          2HG2      ILE  86  -2.435  30.941 -20.540
  638   3HG2  ILE  86          3HG2      ILE  86  -3.690  29.759 -20.975
  639   1HD1  ILE  86          1HD1      ILE  86  -1.951  27.421 -18.535
  640   2HD1  ILE  86          2HD1      ILE  86  -3.622  27.602 -19.125
  641   3HD1  ILE  86          3HD1      ILE  86  -2.814  26.038 -19.226
  642    H    TYR  87           H        TYR  87  -2.688  31.143 -23.380
  643    HA   TYR  87           HA       TYR  87  -0.279  32.890 -23.662
  644   1HB   TYR  87          1HB       TYR  87  -2.707  32.400 -25.336
  645   2HB   TYR  87          2HB       TYR  87  -1.982  33.984 -25.386
  646    HD1  TYR  87           HD1      TYR  87   0.186  34.386 -26.330
  647    HD2  TYR  87           HD2      TYR  87  -1.566  30.455 -26.355
  648    HE1  TYR  87           HE1      TYR  87   1.651  33.762 -28.238
  649    HE2  TYR  87           HE2      TYR  87  -0.037  29.780 -28.194
  650    HH   TYR  87           HH       TYR  87   1.437  30.520 -29.747
  651    H    VAL  88           H        VAL  88  -0.406  34.977 -23.264
  652    HA   VAL  88           HA       VAL  88  -2.906  36.261 -22.294
  653    HB   VAL  88           HB       VAL  88  -0.182  36.605 -20.969
  654   1HG1  VAL  88          1HG1      VAL  88  -2.816  37.717 -20.003
  655   2HG1  VAL  88          2HG1      VAL  88  -1.172  38.267 -19.642
  656   3HG1  VAL  88          3HG1      VAL  88  -1.882  38.625 -21.199
  657   1HG2  VAL  88          1HG2      VAL  88  -2.769  35.298 -19.994
  658   2HG2  VAL  88          2HG2      VAL  88  -1.216  34.495 -20.260
  659   3HG2  VAL  88          3HG2      VAL  88  -1.389  35.659 -18.955
  660    H    GLY  89           H        GLY  89  -3.200  37.132 -24.285
  661   1HA   GLY  89          1HA       GLY  89  -2.849  38.481 -26.134
  662   2HA   GLY  89          2HA       GLY  89  -1.408  39.163 -25.335
  663    H    GLU  90           H        GLU  90   0.471  38.689 -26.256
  664    HA   GLU  90           HA       GLU  90   0.788  36.080 -27.683
  665   1HB   GLU  90          1HB       GLU  90   1.235  38.682 -28.644
  666   2HB   GLU  90          2HB       GLU  90   2.840  38.080 -28.259
  667   1HG   GLU  90          1HG       GLU  90   2.291  37.550 -30.568
  668   2HG   GLU  90          2HG       GLU  90   2.411  36.053 -29.641
  669    H    LEU  91           H        LEU  91   1.642  37.609 -24.792
  670    HA   LEU  91           HA       LEU  91   4.143  36.204 -24.246
  671   1HB   LEU  91          1HB       LEU  91   3.203  38.190 -22.905
  672   2HB   LEU  91          2HB       LEU  91   1.938  37.106 -22.344
  673    HG   LEU  91           HG       LEU  91   3.926  35.593 -21.493
  674   1HD1  LEU  91          1HD1      LEU  91   5.290  38.318 -21.607
  675   2HD1  LEU  91          2HD1      LEU  91   5.917  36.853 -20.826
  676   3HD1  LEU  91          3HD1      LEU  91   5.744  36.906 -22.587
  677   1HD2  LEU  91          1HD2      LEU  91   3.971  36.800 -19.367
  678   2HD2  LEU  91          2HD2      LEU  91   3.238  38.219 -20.148
  679   3HD2  LEU  91          3HD2      LEU  91   2.328  36.697 -20.009
  680    H    LYS  92           H        LYS  92   4.296  34.076 -23.280
  681    HA   LYS  92           HA       LYS  92   1.814  32.544 -22.941
  682   1HB   LYS  92          1HB       LYS  92   2.300  30.885 -24.593
  683   2HB   LYS  92          2HB       LYS  92   2.364  32.458 -25.362
  684   1HG   LYS  92          1HG       LYS  92   4.996  32.258 -24.864
  685   2HG   LYS  92          2HG       LYS  92   4.613  30.541 -24.705
  686   1HD   LYS  92          1HD       LYS  92   5.247  30.802 -26.966
  687   2HD   LYS  92          2HD       LYS  92   3.476  30.742 -27.017
  688   1HE   LYS  92          HE2       LYS  92   3.497  33.298 -26.959
  689   2HE   LYS  92          HE3       LYS  92   5.254  33.235 -27.106
  690   1HZ   LYS  92          HZ1       LYS  92   4.161  33.527 -29.246
  691   2HZ   LYS  92          HZ2       LYS  92   4.959  32.080 -29.228
  692   3HZ   LYS  92          HZ3       LYS  92   3.321  32.130 -29.060
  693    H    HIS  93           H        HIS  93   2.134  30.306 -22.276
  694    HA   HIS  93           HA       HIS  93   4.817  29.450 -21.409
  695   1HB   HIS  93          1HB       HIS  93   3.739  30.707 -19.472
  696   2HB   HIS  93          2HB       HIS  93   2.488  29.471 -19.447
  697    HD1  HIS  93           HD1      HIS  93   3.326  27.004 -18.474
  698    HD2  HIS  93           HD2      HIS  93   6.199  30.095 -18.627
  699    HE1  HIS  93           HE1      HIS  93   5.253  26.276 -17.009
  700    H    GLN  94           H        GLN  94   5.046  27.186 -21.498
  701    HA   GLN  94           HA       GLN  94   2.861  25.527 -22.564
  702   1HB   GLN  94          1HB       GLN  94   5.754  25.001 -21.791
  703   2HB   GLN  94          2HB       GLN  94   4.618  23.695 -22.148
  704   1HG   GLN  94          1HG       GLN  94   4.149  24.614 -24.359
  705   2HG   GLN  94          2HG       GLN  94   5.250  25.971 -24.065
  706   1HE2  GLN  94          2HE2      GLN  94   5.005  22.522 -24.930
  707   2HE2  GLN  94          1HE2      GLN  94   6.767  22.384 -25.178
  708    H    TRP  95           H        TRP  95   1.269  24.902 -21.266
  709    HA   TRP  95           HA       TRP  95   1.912  24.079 -18.466
  710   1HB   TRP  95          1HB       TRP  95   0.261  25.836 -18.536
  711   2HB   TRP  95          2HB       TRP  95  -0.682  24.937 -19.733
  712    HD1  TRP  95           HD1      TRP  95  -2.534  23.551 -18.857
  713    HE1  TRP  95           HE1      TRP  95  -3.152  22.325 -16.639
  714    HE3  TRP  95           HE3      TRP  95   1.622  24.678 -16.058
  715    HZ2  TRP  95           HZ2      TRP  95  -1.898  21.672 -14.209
  716    HZ3  TRP  95           HZ3      TRP  95   1.936  23.617 -13.848
  717    HH2  TRP  95           HH2      TRP  95   0.211  22.076 -12.927
  718    H    PHE  96           H        PHE  96   2.305  22.053 -18.344
  719    HA   PHE  96           HA       PHE  96   1.103  19.980 -20.027
  720   1HB   PHE  96          1HB       PHE  96   3.047  19.856 -17.694
  721   2HB   PHE  96          2HB       PHE  96   2.596  18.507 -18.734
  722    HD1  PHE  96           HD1      PHE  96   4.592  21.607 -18.469
  723    HD2  PHE  96           HD2      PHE  96   3.301  18.475 -21.143
  724    HE1  PHE  96           HE1      PHE  96   6.271  22.335 -20.135
  725    HE2  PHE  96           HE2      PHE  96   5.017  19.192 -22.792
  726    HZ   PHE  96           HZ       PHE  96   6.482  21.135 -22.301
  727    H    GLN  97           H        GLN  97  -1.058  20.149 -19.549
  728    HA   GLN  97           HA       GLN  97  -2.173  20.309 -16.895
  729   1HB   GLN  97          1HB       GLN  97  -3.323  21.207 -18.877
  730   2HB   GLN  97          2HB       GLN  97  -3.309  19.629 -19.631
  731   1HG   GLN  97          1HG       GLN  97  -5.517  20.138 -18.911
  732   2HG   GLN  97          2HG       GLN  97  -4.941  18.783 -17.963
  733   1HE2  GLN  97          2HE2      GLN  97  -7.118  19.975 -17.053
  734   2HE2  GLN  97          1HE2      GLN  97  -6.664  20.713 -15.507
  735    H    LYS  98           H        LYS  98  -3.171  18.845 -15.647
  736    HA   LYS  98           HA       LYS  98  -3.285  16.004 -16.456
  737   1HB   LYS  98          1HB       LYS  98  -2.414  15.177 -14.508
  738   2HB   LYS  98          2HB       LYS  98  -1.426  16.621 -14.676
  739   1HG   LYS  98          1HG       LYS  98  -3.233  17.745 -13.118
  740   2HG   LYS  98          2HG       LYS  98  -3.746  16.073 -12.816
  741   1HD   LYS  98          1HD       LYS  98  -1.177  15.710 -12.247
  742   2HD   LYS  98          2HD       LYS  98  -1.175  17.463 -12.045
  743   1HE   LYS  98          HE2       LYS  98  -2.767  15.369 -10.518
  744   2HE   LYS  98          HE3       LYS  98  -1.533  16.467  -9.882
  745   1HZ   LYS  98          HZ1       LYS  98  -3.750  17.239  -9.295
  746   2HZ   LYS  98          HZ2       LYS  98  -3.156  18.327 -10.379
  747   3HZ   LYS  98          HZ3       LYS  98  -4.252  17.190 -10.832
  748    H    GLY  99           H        GLY  99  -5.128  14.846 -15.450
  749   1HA   GLY  99          1HA       GLY  99  -7.207  15.582 -13.920
  750   2HA   GLY  99          2HA       GLY  99  -7.501  16.494 -15.413
  Start of MODEL    3
    1   1H    ILE   1           H1       ILE   1 -12.117  47.233 -12.148
    2   2H    ILE   1           H2       ILE   1 -13.043  48.348 -12.960
    3   3H    ILE   1           H3       ILE   1 -12.135  48.767 -11.618
    4    HA   ILE   1           HA       ILE   1 -13.441  47.511 -10.167
    5    HB   ILE   1           HB       ILE   1 -15.237  49.123 -12.008
    6   1HG1  ILE   1          2HG1      ILE   1 -13.412  50.468 -11.079
    7   2HG1  ILE   1          3HG1      ILE   1 -14.974  50.941 -10.442
    8   1HG2  ILE   1          1HG2      ILE   1 -16.737  49.314 -10.015
    9   2HG2  ILE   1          2HG2      ILE   1 -16.683  47.697 -10.711
   10   3HG2  ILE   1          3HG2      ILE   1 -15.788  48.044  -9.218
   11   1HD1  ILE   1          1HD1      ILE   1 -13.220  50.959  -8.709
   12   2HD1  ILE   1          2HD1      ILE   1 -14.503  49.811  -8.305
   13   3HD1  ILE   1          3HD1      ILE   1 -12.948  49.223  -8.937
   14    H    SER   2           H        SER   2 -15.217  47.206 -13.317
   15    HA   SER   2           HA       SER   2 -16.588  44.836 -12.580
   16   1HB   SER   2          1HB       SER   2 -17.151  46.402 -14.477
   17   2HB   SER   2          2HB       SER   2 -15.836  45.661 -15.414
   18    HG   SER   2           HG       SER   2 -17.095  43.894 -15.711
   19    H    LYS   3           H        LYS   3 -15.835  42.826 -12.286
   20    HA   LYS   3           HA       LYS   3 -13.188  41.965 -13.297
   21   1HB   LYS   3          1HB       LYS   3 -14.514  41.431 -10.963
   22   2HB   LYS   3          2HB       LYS   3 -15.078  40.077 -11.901
   23   1HG   LYS   3          1HG       LYS   3 -13.121  39.467 -10.629
   24   2HG   LYS   3          2HG       LYS   3 -12.731  39.391 -12.341
   25   1HD   LYS   3          1HD       LYS   3 -10.960  40.321 -10.792
   26   2HD   LYS   3          2HD       LYS   3 -11.292  41.289 -12.212
   27   1HE   LYS   3          HE2       LYS   3 -12.668  41.897  -9.571
   28   2HE   LYS   3          HE3       LYS   3 -11.002  42.424  -9.856
   29   1HZ   LYS   3          HZ1       LYS   3 -11.707  43.675 -11.778
   30   2HZ   LYS   3          HZ2       LYS   3 -13.243  43.120 -11.652
   31   3HZ   LYS   3          HZ3       LYS   3 -12.670  44.141 -10.531
   32    H    GLY   4           H        GLY   4 -14.354  42.658 -15.383
   33   1HA   GLY   4          1HA       GLY   4 -14.243  41.446 -17.503
   34   2HA   GLY   4          2HA       GLY   4 -15.224  40.159 -16.790
   35    H    LEU   5           H        LEU   5 -16.217  40.453 -18.787
   36    HA   LEU   5           HA       LEU   5 -18.053  40.656 -20.023
   37   1HB   LEU   5          1HB       LEU   5 -19.143  41.817 -17.452
   38   2HB   LEU   5          2HB       LEU   5 -20.096  41.802 -18.925
   39    HG   LEU   5           HG       LEU   5 -19.925  39.368 -19.107
   40   1HD1  LEU   5          1HD1      LEU   5 -18.426  39.509 -16.454
   41   2HD1  LEU   5          2HD1      LEU   5 -19.152  38.035 -17.130
   42   3HD1  LEU   5          3HD1      LEU   5 -17.840  38.828 -17.993
   43   1HD2  LEU   5          1HD2      LEU   5 -21.797  40.431 -17.891
   44   2HD2  LEU   5          2HD2      LEU   5 -21.402  38.845 -17.214
   45   3HD2  LEU   5          3HD2      LEU   5 -20.878  40.320 -16.373
   46    H    THR   6           H        THR   6 -17.344  43.778 -18.489
   47    HA   THR   6           HA       THR   6 -18.575  45.265 -20.700
   48    HB   THR   6           HB       THR   6 -18.022  47.236 -19.229
   49    HG1  THR   6           HG1      THR   6 -17.645  45.985 -16.988
   50   1HG2  THR   6          1HG2      THR   6 -20.202  46.040 -19.044
   51   2HG2  THR   6          2HG2      THR   6 -19.504  44.964 -17.817
   52   3HG2  THR   6          3HG2      THR   6 -19.666  46.705 -17.494
   53    H    TYR   7           H        TYR   7 -15.420  45.669 -19.102
   54    HA   TYR   7           HA       TYR   7 -14.372  47.499 -20.827
   55   1HB   TYR   7          1HB       TYR   7 -12.748  45.381 -19.385
   56   2HB   TYR   7          2HB       TYR   7 -12.177  46.971 -19.868
   57    HD1  TYR   7           HD1      TYR   7 -14.735  48.566 -18.936
   58    HD2  TYR   7           HD2      TYR   7 -12.236  45.581 -17.065
   59    HE1  TYR   7           HE1      TYR   7 -15.279  49.500 -16.735
   60    HE2  TYR   7           HE2      TYR   7 -12.773  46.521 -14.847
   61    HH   TYR   7           HH       TYR   7 -14.839  49.442 -14.552
   62    H    THR   8           H        THR   8 -12.521  47.570 -22.325
   63    HA   THR   8           HA       THR   8 -12.892  45.606 -24.474
   64    HB   THR   8           HB       THR   8 -11.575  47.362 -25.760
   65    HG1  THR   8           HG1      THR   8 -10.543  48.424 -24.104
   66   1HG2  THR   8          1HG2      THR   8 -14.101  48.328 -24.351
   67   2HG2  THR   8          2HG2      THR   8 -13.439  48.938 -25.879
   68   3HG2  THR   8          3HG2      THR   8 -14.054  47.277 -25.784
   69    H    MET   9           H        MET   9 -11.056  44.948 -25.808
   70    HA   MET   9           HA       MET   9  -9.408  43.297 -24.293
   71   1HB   MET   9          1HB       MET   9  -9.109  44.087 -27.211
   72   2HB   MET   9          2HB       MET   9  -8.379  42.672 -26.443
   73   1HG   MET   9          1HG       MET   9 -11.362  43.190 -26.754
   74   2HG   MET   9          2HG       MET   9 -10.395  42.085 -27.719
   75   1HE   MET   9          1HE       MET   9 -13.189  41.567 -25.971
   76   2HE   MET   9          2HE       MET   9 -12.486  40.455 -27.169
   77   3HE   MET   9          3HE       MET   9 -12.869  39.875 -25.533
   78    H    CYS  10           H        CYS  10  -7.356  43.278 -23.584
   79    HA   CYS  10           HA       CYS  10  -5.681  45.654 -23.597
   80   1HB   CYS  10          1HB       CYS  10  -4.892  42.808 -22.978
   81   2HB   CYS  10          2HB       CYS  10  -4.105  44.238 -22.408
   82    H    ASP  11           H        ASP  11  -3.547  45.830 -24.503
   83    HA   ASP  11           HA       ASP  11  -2.973  44.869 -27.133
   84   1HB   ASP  11          1HB       ASP  11  -2.160  46.982 -26.197
   85   2HB   ASP  11          2HB       ASP  11  -1.265  46.124 -24.948
   86    H    LYS  12           H        LYS  12  -1.989  43.054 -27.812
   87    HA   LYS  12           HA       LYS  12  -1.657  40.782 -26.176
   88   1HB   LYS  12          1HB       LYS  12  -0.627  41.452 -28.963
   89   2HB   LYS  12          2HB       LYS  12  -0.401  39.866 -28.226
   90   1HG   LYS  12          1HG       LYS  12  -2.788  39.501 -28.058
   91   2HG   LYS  12          2HG       LYS  12  -3.135  41.108 -28.705
   92   1HD   LYS  12          1HD       LYS  12  -2.690  40.508 -30.850
   93   2HD   LYS  12          2HD       LYS  12  -1.298  39.515 -30.432
   94   1HE   LYS  12          HE2       LYS  12  -4.154  38.599 -29.918
   95   2HE   LYS  12          HE3       LYS  12  -3.307  38.328 -31.451
   96   1HZ   LYS  12          HZ1       LYS  12  -2.350  37.318 -28.822
   97   2HZ   LYS  12          HZ2       LYS  12  -2.975  36.419 -30.059
   98   3HZ   LYS  12          HZ3       LYS  12  -1.539  37.190 -30.220
   99    H    ALA  13           H        ALA  13   0.704  43.296 -26.817
  100    HA   ALA  13           HA       ALA  13   2.976  41.473 -26.168
  101   1HB   ALA  13          1HB       ALA  13   3.023  42.789 -28.250
  102   2HB   ALA  13          2HB       ALA  13   2.870  44.293 -27.315
  103   3HB   ALA  13          3HB       ALA  13   4.325  43.282 -27.148
  104    H    LYS  14           H        LYS  14   1.157  43.997 -24.643
  105    HA   LYS  14           HA       LYS  14   3.387  45.058 -23.056
  106   1HB   LYS  14          1HB       LYS  14   0.418  45.646 -23.019
  107   2HB   LYS  14          2HB       LYS  14   1.607  46.583 -22.135
  108   1HG   LYS  14          1HG       LYS  14   1.499  46.253 -25.136
  109   2HG   LYS  14          2HG       LYS  14   0.814  47.618 -24.247
  110   1HD   LYS  14          1HD       LYS  14   3.126  48.177 -23.447
  111   2HD   LYS  14          2HD       LYS  14   3.764  46.875 -24.466
  112   1HE   LYS  14          HE2       LYS  14   2.228  49.348 -25.387
  113   2HE   LYS  14          HE3       LYS  14   3.958  49.047 -25.595
  114   1HZ   LYS  14          HZ1       LYS  14   3.278  47.077 -26.972
  115   2HZ   LYS  14          HZ2       LYS  14   1.714  47.581 -26.896
  116   3HZ   LYS  14          HZ3       LYS  14   2.825  48.522 -27.628
  117    H    PHE  15           H        PHE  15   2.513  42.188 -22.535
  118    HA   PHE  15           HA       PHE  15   1.591  42.407 -19.696
  119   1HB   PHE  15          1HB       PHE  15   1.426  40.198 -21.763
  120   2HB   PHE  15          2HB       PHE  15   1.183  39.891 -20.053
  121    HD1  PHE  15           HD1      PHE  15  -0.582  41.094 -18.749
  122    HD2  PHE  15           HD2      PHE  15  -0.398  41.110 -23.065
  123    HE1  PHE  15           HE1      PHE  15  -3.023  41.557 -18.855
  124    HE2  PHE  15           HE2      PHE  15  -2.815  41.586 -23.166
  125    HZ   PHE  15           HZ       PHE  15  -4.136  41.761 -21.041
  126    H    THR  16           H        THR  16   2.419  41.154 -18.082
  127    HA   THR  16           HA       THR  16   4.834  39.507 -18.536
  128    HB   THR  16           HB       THR  16   5.759  40.371 -16.321
  129    HG1  THR  16           HG1      THR  16   3.856  42.361 -16.921
  130   1HG2  THR  16          1HG2      THR  16   5.710  42.373 -18.620
  131   2HG2  THR  16          2HG2      THR  16   6.902  42.283 -17.309
  132   3HG2  THR  16          3HG2      THR  16   6.788  40.966 -18.492
  133    H    TRP  17           H        TRP  17   5.058  37.800 -17.083
  134    HA   TRP  17           HA       TRP  17   2.640  36.748 -15.910
  135   1HB   TRP  17          1HB       TRP  17   5.519  35.812 -16.037
  136   2HB   TRP  17          2HB       TRP  17   4.303  34.966 -15.093
  137    HD1  TRP  17           HD1      TRP  17   5.814  34.675 -18.330
  138    HE1  TRP  17           HE1      TRP  17   4.361  33.308 -19.973
  139    HE3  TRP  17           HE3      TRP  17   1.382  34.771 -15.758
  140    HZ2  TRP  17           HZ2      TRP  17   1.567  32.550 -20.212
  141    HZ3  TRP  17           HZ3      TRP  17  -0.645  33.805 -16.750
  142    HH2  TRP  17           HH2      TRP  17  -0.577  32.670 -18.958
  143    H    LYS  18           H        LYS  18   1.817  37.484 -14.066
  144    HA   LYS  18           HA       LYS  18   3.512  38.481 -11.842
  145   1HB   LYS  18          1HB       LYS  18   1.163  39.411 -12.655
  146   2HB   LYS  18          2HB       LYS  18   0.516  38.066 -11.713
  147   1HG   LYS  18          1HG       LYS  18   2.109  39.106  -9.832
  148   2HG   LYS  18          2HG       LYS  18   1.984  40.551 -10.838
  149   1HD   LYS  18          1HD       LYS  18  -0.228  39.004  -9.462
  150   2HD   LYS  18          2HD       LYS  18   0.326  40.625  -9.071
  151   1HE   LYS  18          HE2       LYS  18  -0.601  41.466 -11.239
  152   2HE   LYS  18          HE3       LYS  18  -1.138  39.832 -11.628
  153   1HZ   LYS  18          HZ1       LYS  18  -2.103  41.460  -9.351
  154   2HZ   LYS  18          HZ2       LYS  18  -3.006  40.997 -10.649
  155   3HZ   LYS  18          HZ3       LYS  18  -2.469  39.882  -9.550
  156    H    ARG  19           H        ARG  19   1.483  35.776 -12.757
  157    HA   ARG  19           HA       ARG  19   2.900  33.905 -10.953
  158   1HB   ARG  19          1HB       ARG  19   0.792  34.849  -9.835
  159   2HB   ARG  19          2HB       ARG  19  -0.129  34.015 -11.092
  160   1HG   ARG  19          1HG       ARG  19   0.858  31.844 -10.326
  161   2HG   ARG  19          2HG       ARG  19   1.607  32.724  -8.979
  162   1HD   ARG  19          1HD       ARG  19  -1.368  32.445  -9.608
  163   2HD   ARG  19          2HD       ARG  19  -0.521  31.747  -8.231
  164    HE   ARG  19           HE       ARG  19  -1.470  34.552  -8.536
  165   1HH1  ARG  19          1HH1      ARG  19   0.723  32.593  -6.616
  166   2HH1  ARG  19          2HH1      ARG  19   0.878  33.857  -5.416
  167   1HH2  ARG  19          1HH2      ARG  19  -1.284  35.962  -7.174
  168   2HH2  ARG  19          2HH2      ARG  19  -0.320  35.825  -5.685
  169    H    ALA  20           H        ALA  20   3.662  32.474 -12.472
  170    HA   ALA  20           HA       ALA  20   2.540  32.078 -15.060
  171   1HB   ALA  20          1HB       ALA  20   4.893  31.626 -14.529
  172   2HB   ALA  20          2HB       ALA  20   4.413  30.336 -13.397
  173   3HB   ALA  20          3HB       ALA  20   4.118  30.150 -15.133
  174    HA   PRO  21           HA       PRO  21  -0.791  29.198 -14.486
  175   1HB   PRO  21          1HB       PRO  21   0.517  27.481 -16.582
  176   2HB   PRO  21          2HB       PRO  21  -1.194  27.993 -16.417
  177   1HG   PRO  21          1HG       PRO  21   0.446  29.244 -18.163
  178   2HG   PRO  21          2HG       PRO  21  -0.684  30.203 -17.157
  179   1HD   PRO  21          1HD       PRO  21   2.269  29.711 -16.699
  180   2HD   PRO  21          2HD       PRO  21   1.341  31.234 -16.568
  181    H    THR  22           H        THR  22  -1.125  27.862 -12.875
  182    HA   THR  22           HA       THR  22   0.444  25.366 -12.678
  183    HB   THR  22           HB       THR  22   1.526  26.953 -11.111
  184    HG1  THR  22           HG1      THR  22   0.763  25.410  -9.232
  185   1HG2  THR  22          1HG2      THR  22   0.422  27.570  -9.016
  186   2HG2  THR  22          2HG2      THR  22  -0.439  28.278 -10.390
  187   3HG2  THR  22          3HG2      THR  22  -1.105  26.849  -9.565
  188    H    ASP  23           H        ASP  23  -0.633  23.874 -11.035
  189    HA   ASP  23           HA       ASP  23  -3.519  23.748 -11.582
  190   1HB   ASP  23          1HB       ASP  23  -1.924  21.725 -11.421
  191   2HB   ASP  23          2HB       ASP  23  -2.007  21.941  -9.674
  192    H    SER  24           H        SER  24  -5.103  24.252 -10.156
  193    HA   SER  24           HA       SER  24  -4.736  25.894  -7.816
  194   1HB   SER  24          1HB       SER  24  -7.210  25.557  -7.661
  195   2HB   SER  24          2HB       SER  24  -6.694  25.992  -9.302
  196    HG   SER  24           HG       SER  24  -7.882  24.282  -9.736
  197    H    GLY  25           H        GLY  25  -4.327  22.531  -8.172
  198   1HA   GLY  25          1HA       GLY  25  -3.997  20.872  -6.524
  199   2HA   GLY  25          2HA       GLY  25  -4.753  21.896  -5.297
  200    H    HIS  26           H        HIS  26  -6.417  21.912  -8.284
  201    HA   HIS  26           HA       HIS  26  -8.441  19.920  -7.385
  202   1HB   HIS  26          1HB       HIS  26  -9.138  22.778  -8.165
  203   2HB   HIS  26          2HB       HIS  26 -10.240  21.514  -7.706
  204    HD1  HIS  26           HD1      HIS  26  -7.366  23.523  -5.899
  205    HD2  HIS  26           HD2      HIS  26 -11.071  21.579  -5.300
  206    HE1  HIS  26           HE1      HIS  26  -8.059  23.986  -3.515
  207    H    ASP  27           H        ASP  27  -6.387  20.328  -9.779
  208    HA   ASP  27           HA       ASP  27  -6.263  19.591 -11.896
  209   1HB   ASP  27          1HB       ASP  27  -9.161  18.699 -11.657
  210   2HB   ASP  27          2HB       ASP  27  -8.111  18.406 -13.020
  211    H    THR  28           H        THR  28  -7.425  22.302 -11.026
  212    HA   THR  28           HA       THR  28  -8.167  23.268 -13.760
  213    HB   THR  28           HB       THR  28  -9.279  25.162 -12.758
  214    HG1  THR  28           HG1      THR  28  -9.458  25.540 -10.666
  215   1HG2  THR  28          1HG2      THR  28 -10.323  22.604 -11.467
  216   2HG2  THR  28          2HG2      THR  28 -11.238  24.089 -11.770
  217   3HG2  THR  28          3HG2      THR  28 -10.651  23.117 -13.136
  218    H    VAL  29           H        VAL  29  -7.249  25.265 -14.406
  219    HA   VAL  29           HA       VAL  29  -4.460  25.469 -13.455
  220    HB   VAL  29           HB       VAL  29  -5.541  26.283 -16.170
  221   1HG1  VAL  29          1HG1      VAL  29  -3.150  26.000 -16.791
  222   2HG1  VAL  29          2HG1      VAL  29  -3.360  27.243 -15.547
  223   3HG1  VAL  29          3HG1      VAL  29  -2.754  25.630 -15.107
  224   1HG2  VAL  29          1HG2      VAL  29  -4.355  23.613 -15.333
  225   2HG2  VAL  29          2HG2      VAL  29  -6.007  23.884 -15.919
  226   3HG2  VAL  29          3HG2      VAL  29  -4.652  24.145 -17.011
  227    H    VAL  30           H        VAL  30  -4.030  27.164 -12.284
  228    HA   VAL  30           HA       VAL  30  -5.562  29.712 -12.610
  229    HB   VAL  30           HB       VAL  30  -4.715  30.313 -10.372
  230   1HG1  VAL  30          1HG1      VAL  30  -6.324  27.743 -10.523
  231   2HG1  VAL  30          2HG1      VAL  30  -6.204  28.784  -9.088
  232   3HG1  VAL  30          3HG1      VAL  30  -6.938  29.408 -10.568
  233   1HG2  VAL  30          1HG2      VAL  30  -3.755  27.429 -10.151
  234   2HG2  VAL  30          2HG2      VAL  30  -2.722  28.875 -10.202
  235   3HG2  VAL  30          3HG2      VAL  30  -3.823  28.623  -8.845
  236    H    MET  31           H        MET  31  -4.506  31.635 -12.956
  237    HA   MET  31           HA       MET  31  -1.604  31.824 -12.750
  238   1HB   MET  31          1HB       MET  31  -1.066  32.336 -15.014
  239   2HB   MET  31          2HB       MET  31  -1.973  30.840 -15.056
  240   1HG   MET  31          1HG       MET  31  -3.947  32.737 -15.273
  241   2HG   MET  31          2HG       MET  31  -2.660  33.488 -16.168
  242   1HE   MET  31          1HE       MET  31  -5.239  30.582 -15.860
  243   2HE   MET  31          2HE       MET  31  -4.773  29.486 -17.181
  244   3HE   MET  31          3HE       MET  31  -3.731  29.647 -15.762
  245    H    GLU  32           H        GLU  32  -0.870  34.119 -13.396
  246    HA   GLU  32           HA       GLU  32  -2.991  36.134 -13.133
  247   1HB   GLU  32          1HB       GLU  32  -2.155  35.136 -10.839
  248   2HB   GLU  32          2HB       GLU  32  -0.761  36.196 -11.106
  249   1HG   GLU  32          1HG       GLU  32  -2.302  38.128 -11.237
  250   2HG   GLU  32          2HG       GLU  32  -3.662  37.053 -10.951
  251    H    VAL  33           H        VAL  33  -2.371  38.188 -13.923
  252    HA   VAL  33           HA       VAL  33   0.484  38.537 -14.769
  253    HB   VAL  33           HB       VAL  33  -0.288  39.400 -16.954
  254   1HG1  VAL  33          1HG1      VAL  33  -1.116  36.515 -16.589
  255   2HG1  VAL  33          2HG1      VAL  33  -0.256  37.297 -17.945
  256   3HG1  VAL  33          3HG1      VAL  33   0.567  37.050 -16.433
  257   1HG2  VAL  33          1HG2      VAL  33  -2.960  38.112 -16.263
  258   2HG2  VAL  33          2HG2      VAL  33  -2.664  39.863 -16.352
  259   3HG2  VAL  33          3HG2      VAL  33  -2.498  38.858 -17.798
  260    H    ALA  34           H        ALA  34   1.128  40.537 -15.570
  261    HA   ALA  34           HA       ALA  34  -0.239  42.931 -14.444
  262   1HB   ALA  34          1HB       ALA  34   2.720  42.190 -14.297
  263   2HB   ALA  34          2HB       ALA  34   2.038  43.759 -13.820
  264   3HB   ALA  34          3HB       ALA  34   1.592  42.286 -12.932
  265    H    PHE  35           H        PHE  35   0.236  44.900 -15.660
  266    HA   PHE  35           HA       PHE  35   0.860  44.350 -18.523
  267   1HB   PHE  35          1HB       PHE  35  -1.408  43.646 -18.043
  268   2HB   PHE  35          2HB       PHE  35  -1.764  45.190 -17.275
  269    HD1  PHE  35           HD1      PHE  35  -0.590  43.814 -20.580
  270    HD2  PHE  35           HD2      PHE  35  -2.968  46.752 -18.517
  271    HE1  PHE  35           HE1      PHE  35  -1.473  44.628 -22.736
  272    HE2  PHE  35           HE2      PHE  35  -3.768  47.620 -20.693
  273    HZ   PHE  35           HZ       PHE  35  -2.993  46.608 -22.800
  274    H    SER  36           H        SER  36   1.959  45.921 -19.425
  275    HA   SER  36           HA       SER  36   2.345  48.531 -18.238
  276   1HB   SER  36          1HB       SER  36   3.240  47.449 -20.938
  277   2HB   SER  36          2HB       SER  36   3.916  48.841 -20.084
  278    HG   SER  36           HG       SER  36   4.633  47.422 -18.467
  279    H    GLY  37           H        GLY  37  -0.171  47.511 -20.292
  280   1HA   GLY  37          1HA       GLY  37  -0.289  49.989 -21.901
  281   2HA   GLY  37          2HA       GLY  37  -1.329  48.581 -22.045
  282    H    THR  38           H        THR  38  -3.265  49.693 -22.044
  283    HA   THR  38           HA       THR  38  -4.206  51.795 -20.511
  284    HB   THR  38           HB       THR  38  -6.434  50.204 -20.928
  285    HG1  THR  38           HG1      THR  38  -6.069  49.246 -22.960
  286   1HG2  THR  38          1HG2      THR  38  -6.137  52.492 -21.761
  287   2HG2  THR  38          2HG2      THR  38  -5.046  51.893 -23.036
  288   3HG2  THR  38          3HG2      THR  38  -6.759  51.409 -23.014
  289    H    LYS  39           H        LYS  39  -5.837  51.872 -18.890
  290    HA   LYS  39           HA       LYS  39  -6.373  49.500 -17.276
  291   1HB   LYS  39          1HB       LYS  39  -5.629  52.163 -15.996
  292   2HB   LYS  39          2HB       LYS  39  -6.224  50.741 -15.145
  293   1HG   LYS  39          1HG       LYS  39  -3.586  50.949 -16.641
  294   2HG   LYS  39          2HG       LYS  39  -3.785  51.088 -14.902
  295   1HD   LYS  39          1HD       LYS  39  -4.404  48.816 -14.626
  296   2HD   LYS  39          2HD       LYS  39  -4.649  48.545 -16.341
  297   1HE   LYS  39          HE2       LYS  39  -1.985  49.045 -14.959
  298   2HE   LYS  39          HE3       LYS  39  -2.589  47.515 -15.603
  299   1HZ   LYS  39          HZ1       LYS  39  -2.714  48.764 -17.817
  300   2HZ   LYS  39          HZ2       LYS  39  -1.766  49.889 -17.169
  301   3HZ   LYS  39          HZ3       LYS  39  -1.190  48.354 -17.251
  302    HA   PRO  40           HA       PRO  40  -8.101  48.521 -16.577
  303   1HB   PRO  40          1HB       PRO  40 -10.532  47.574 -17.144
  304   2HB   PRO  40          2HB       PRO  40 -10.309  48.674 -15.750
  305   1HG   PRO  40          1HG       PRO  40 -11.261  49.398 -18.548
  306   2HG   PRO  40          2HG       PRO  40 -12.020  49.827 -16.980
  307   1HD   PRO  40          1HD       PRO  40 -10.287  51.495 -18.325
  308   2HD   PRO  40          2HD       PRO  40 -10.414  51.476 -16.542
  309    H    CYS  41           H        CYS  41  -8.242  46.480 -17.926
  310    HA   CYS  41           HA       CYS  41  -9.423  46.744 -20.567
  311   1HB   CYS  41          1HB       CYS  41  -7.554  45.994 -21.886
  312   2HB   CYS  41          2HB       CYS  41  -7.087  47.435 -20.996
  313    H    ARG  42           H        ARG  42  -9.609  44.650 -21.657
  314    HA   ARG  42           HA       ARG  42 -10.118  42.390 -19.785
  315   1HB   ARG  42          1HB       ARG  42 -11.918  43.361 -21.281
  316   2HB   ARG  42          2HB       ARG  42 -11.007  42.758 -22.676
  317   1HG   ARG  42          1HG       ARG  42 -11.120  40.433 -21.542
  318   2HG   ARG  42          2HG       ARG  42 -12.248  41.169 -20.403
  319   1HD   ARG  42          1HD       ARG  42 -12.551  40.937 -23.424
  320   2HD   ARG  42          2HD       ARG  42 -13.408  39.968 -22.251
  321    HE   ARG  42           HE       ARG  42 -13.710  42.965 -22.417
  322   1HH1  ARG  42          1HH1      ARG  42 -15.571  39.907 -22.229
  323   2HH1  ARG  42          2HH1      ARG  42 -17.028  40.839 -22.549
  324   1HH2  ARG  42          1HH2      ARG  42 -15.523  43.917 -22.618
  325   2HH2  ARG  42          2HH2      ARG  42 -17.030  43.025 -22.446
  326    H    ILE  43           H        ILE  43  -8.915  40.582 -19.844
  327    HA   ILE  43           HA       ILE  43  -6.412  40.861 -21.244
  328    HB   ILE  43           HB       ILE  43  -7.367  38.683 -19.372
  329   1HG1  ILE  43          2HG1      ILE  43  -5.679  41.198 -18.951
  330   2HG1  ILE  43          3HG1      ILE  43  -7.325  40.962 -18.374
  331   1HG2  ILE  43          1HG2      ILE  43  -4.559  39.381 -20.333
  332   2HG2  ILE  43          2HG2      ILE  43  -4.974  38.109 -19.170
  333   3HG2  ILE  43          3HG2      ILE  43  -5.470  37.948 -20.847
  334   1HD1  ILE  43          1HD1      ILE  43  -6.543  39.097 -16.916
  335   2HD1  ILE  43          2HD1      ILE  43  -4.878  39.479 -17.402
  336   3HD1  ILE  43          3HD1      ILE  43  -5.837  40.679 -16.537
  337    HA   PRO  44           HA       PRO  44  -7.683  38.258 -24.760
  338   1HB   PRO  44          1HB       PRO  44  -5.468  38.523 -26.310
  339   2HB   PRO  44          2HB       PRO  44  -6.597  39.882 -26.033
  340   1HG   PRO  44          1HG       PRO  44  -4.018  39.312 -24.528
  341   2HG   PRO  44          2HG       PRO  44  -4.511  40.839 -25.321
  342   1HD   PRO  44          1HD       PRO  44  -4.893  40.366 -22.676
  343   2HD   PRO  44          2HD       PRO  44  -6.109  41.272 -23.643
  344    H    VAL  45           H        VAL  45  -7.601  36.690 -22.946
  345    HA   VAL  45           HA       VAL  45  -5.236  34.942 -22.892
  346    HB   VAL  45           HB       VAL  45  -7.214  35.839 -20.988
  347   1HG1  VAL  45          1HG1      VAL  45  -6.997  32.825 -21.011
  348   2HG1  VAL  45          2HG1      VAL  45  -7.673  33.823 -19.709
  349   3HG1  VAL  45          3HG1      VAL  45  -8.470  33.782 -21.287
  350   1HG2  VAL  45          1HG2      VAL  45  -4.482  35.194 -21.034
  351   2HG2  VAL  45          2HG2      VAL  45  -5.424  35.815 -19.720
  352   3HG2  VAL  45          3HG2      VAL  45  -5.185  34.056 -19.886
  353    H    ARG  46           H        ARG  46  -5.118  32.894 -23.372
  354    HA   ARG  46           HA       ARG  46  -7.394  31.253 -24.159
  355   1HB   ARG  46          1HB       ARG  46  -6.553  30.761 -26.448
  356   2HB   ARG  46          2HB       ARG  46  -7.055  32.448 -26.285
  357   1HG   ARG  46          1HG       ARG  46  -4.652  33.057 -25.908
  358   2HG   ARG  46          2HG       ARG  46  -4.216  31.362 -26.233
  359   1HD   ARG  46          1HD       ARG  46  -4.672  31.550 -28.514
  360   2HD   ARG  46          2HD       ARG  46  -5.689  32.986 -28.297
  361    HE   ARG  46           HE       ARG  46  -3.573  34.146 -27.501
  362   1HH1  ARG  46          1HH1      ARG  46  -3.176  31.648 -30.003
  363   2HH1  ARG  46          2HH1      ARG  46  -1.706  32.420 -30.545
  364   1HH2  ARG  46          1HH2      ARG  46  -1.681  34.945 -28.207
  365   2HH2  ARG  46          2HH2      ARG  46  -0.856  34.271 -29.555
  366    H    ALA  47           H        ALA  47  -6.692  29.022 -24.505
  367    HA   ALA  47           HA       ALA  47  -3.810  28.452 -23.961
  368   1HB   ALA  47          1HB       ALA  47  -6.173  26.909 -22.804
  369   2HB   ALA  47          2HB       ALA  47  -4.462  26.451 -22.702
  370   3HB   ALA  47          3HB       ALA  47  -5.039  27.926 -21.882
  371    H    VAL  48           H        VAL  48  -2.935  27.226 -25.565
  372    HA   VAL  48           HA       VAL  48  -4.900  26.041 -27.492
  373    HB   VAL  48           HB       VAL  48  -3.633  26.765 -29.309
  374   1HG1  VAL  48          1HG1      VAL  48  -5.239  28.363 -28.286
  375   2HG1  VAL  48          2HG1      VAL  48  -3.906  29.105 -27.372
  376   3HG1  VAL  48          3HG1      VAL  48  -3.925  29.182 -29.136
  377   1HG2  VAL  48          1HG2      VAL  48  -1.664  28.267 -29.129
  378   2HG2  VAL  48          2HG2      VAL  48  -1.616  27.987 -27.381
  379   3HG2  VAL  48          3HG2      VAL  48  -1.316  26.647 -28.509
  380    H    ALA  49           H        ALA  49  -4.814  23.994 -27.889
  381    HA   ALA  49           HA       ALA  49  -3.025  22.303 -26.456
  382   1HB   ALA  49          1HB       ALA  49  -5.321  21.672 -26.978
  383   2HB   ALA  49          2HB       ALA  49  -4.961  21.681 -28.725
  384   3HB   ALA  49          3HB       ALA  49  -4.193  20.485 -27.653
  385    H    HIS  50           H        HIS  50  -1.279  21.130 -27.014
  386    HA   HIS  50           HA       HIS  50   0.579  22.062 -28.799
  387   1HB   HIS  50          1HB       HIS  50   0.916  20.590 -26.854
  388   2HB   HIS  50          2HB       HIS  50   0.342  19.206 -27.787
  389    HD1  HIS  50           HD1      HIS  50   3.414  20.696 -26.697
  390    HD2  HIS  50           HD2      HIS  50   1.998  18.951 -30.277
  391    HE1  HIS  50           HE1      HIS  50   5.482  20.044 -28.101
  392    H    GLY  51           H        GLY  51   0.279  22.361 -30.895
  393   1HA   GLY  51          1HA       GLY  51   0.747  21.307 -33.073
  394   2HA   GLY  51          2HA       GLY  51  -0.416  20.049 -32.675
  395    H    ALA  52           H        ALA  52  -2.115  22.534 -31.504
  396    HA   ALA  52           HA       ALA  52  -3.052  23.614 -34.135
  397   1HB   ALA  52          1HB       ALA  52  -4.800  22.414 -31.963
  398   2HB   ALA  52          2HB       ALA  52  -5.367  23.255 -33.426
  399   3HB   ALA  52          3HB       ALA  52  -4.476  21.729 -33.573
  400    HA   PRO  53           HA       PRO  53  -2.093  26.771 -30.876
  401   1HB   PRO  53          1HB       PRO  53  -0.743  28.604 -32.381
  402   2HB   PRO  53          2HB       PRO  53   0.003  27.086 -31.790
  403   1HG   PRO  53          1HG       PRO  53  -1.263  27.594 -34.508
  404   2HG   PRO  53          2HG       PRO  53   0.360  26.909 -34.160
  405   1HD   PRO  53          1HD       PRO  53  -1.780  25.320 -34.667
  406   2HD   PRO  53          2HD       PRO  53  -0.569  24.854 -33.434
  407    H    ASP  54           H        ASP  54  -3.951  26.896 -33.745
  408    HA   ASP  54           HA       ASP  54  -5.082  29.513 -33.576
  409   1HB   ASP  54          1HB       ASP  54  -6.420  27.100 -34.827
  410   2HB   ASP  54          2HB       ASP  54  -6.379  28.765 -35.399
  411    H    VAL  55           H        VAL  55  -5.823  26.456 -31.974
  412    HA   VAL  55           HA       VAL  55  -8.645  27.255 -31.478
  413    HB   VAL  55           HB       VAL  55  -7.324  24.557 -30.989
  414   1HG1  VAL  55          1HG1      VAL  55  -9.669  23.754 -30.887
  415   2HG1  VAL  55          2HG1      VAL  55  -9.370  24.950 -29.627
  416   3HG1  VAL  55          3HG1      VAL  55 -10.259  25.418 -31.090
  417   1HG2  VAL  55          1HG2      VAL  55  -8.564  23.821 -33.012
  418   2HG2  VAL  55          2HG2      VAL  55  -9.024  25.507 -33.336
  419   3HG2  VAL  55          3HG2      VAL  55  -7.318  25.011 -33.397
  420    H    ASP  56           H        ASP  56  -8.886  28.489 -29.702
  421    HA   ASP  56           HA       ASP  56  -7.443  28.037 -27.232
  422   1HB   ASP  56          1HB       ASP  56  -8.537  30.199 -27.773
  423   2HB   ASP  56          2HB       ASP  56 -10.116  29.418 -27.633
  424    H    VAL  57           H        VAL  57  -7.773  26.544 -25.793
  425    HA   VAL  57           HA       VAL  57 -10.255  24.867 -25.778
  426    HB   VAL  57           HB       VAL  57  -9.000  22.981 -25.063
  427   1HG1  VAL  57          1HG1      VAL  57  -7.688  22.477 -27.019
  428   2HG1  VAL  57          2HG1      VAL  57  -9.078  23.459 -27.520
  429   3HG1  VAL  57          3HG1      VAL  57  -7.468  24.194 -27.392
  430   1HG2  VAL  57          1HG2      VAL  57  -6.433  24.608 -25.196
  431   2HG2  VAL  57          2HG2      VAL  57  -7.225  24.086 -23.695
  432   3HG2  VAL  57          3HG2      VAL  57  -6.583  22.903 -24.848
  433    H    ALA  58           H        ALA  58  -9.022  27.394 -24.112
  434    HA   ALA  58           HA       ALA  58  -9.031  26.488 -21.392
  435   1HB   ALA  58          1HB       ALA  58  -9.371  29.253 -22.628
  436   2HB   ALA  58          2HB       ALA  58  -9.055  28.920 -20.917
  437   3HB   ALA  58          3HB       ALA  58  -7.840  28.491 -22.144
  438    H    MET  59           H        MET  59 -10.818  25.569 -20.492
  439    HA   MET  59           HA       MET  59 -13.488  26.832 -20.746
  440   1HB   MET  59          1HB       MET  59 -12.577  24.470 -19.057
  441   2HB   MET  59          2HB       MET  59 -14.238  24.992 -19.342
  442   1HG   MET  59          1HG       MET  59 -13.977  24.535 -21.756
  443   2HG   MET  59          2HG       MET  59 -12.319  23.994 -21.494
  444   1HE   MET  59          1HE       MET  59 -12.218  22.207 -19.024
  445   2HE   MET  59          2HE       MET  59 -12.658  20.614 -19.665
  446   3HE   MET  59          3HE       MET  59 -11.593  21.686 -20.605
  447    H    LEU  60           H        LEU  60 -13.064  28.883 -19.841
  448    HA   LEU  60           HA       LEU  60 -11.646  29.485 -17.498
  449   1HB   LEU  60          1HB       LEU  60 -14.003  30.948 -18.697
  450   2HB   LEU  60          2HB       LEU  60 -12.888  31.628 -17.526
  451    HG   LEU  60           HG       LEU  60 -11.676  30.529 -20.061
  452   1HD1  LEU  60          1HD1      LEU  60 -12.132  32.604 -21.264
  453   2HD1  LEU  60          2HD1      LEU  60 -13.636  31.765 -20.866
  454   3HD1  LEU  60          3HD1      LEU  60 -13.144  33.187 -19.916
  455   1HD2  LEU  60          1HD2      LEU  60 -10.253  31.509 -18.257
  456   2HD2  LEU  60          2HD2      LEU  60 -10.153  32.406 -19.784
  457   3HD2  LEU  60          3HD2      LEU  60 -11.120  33.049 -18.439
  458    H    ILE  61           H        ILE  61 -11.955  29.150 -15.429
  459    HA   ILE  61           HA       ILE  61 -14.590  28.253 -14.336
  460    HB   ILE  61           HB       ILE  61 -11.834  28.167 -13.082
  461   1HG1  ILE  61          2HG1      ILE  61 -11.722  26.677 -14.953
  462   2HG1  ILE  61          3HG1      ILE  61 -11.804  25.738 -13.486
  463   1HG2  ILE  61          1HG2      ILE  61 -12.826  26.511 -11.508
  464   2HG2  ILE  61          2HG2      ILE  61 -13.510  28.124 -11.352
  465   3HG2  ILE  61          3HG2      ILE  61 -14.430  26.862 -12.195
  466   1HD1  ILE  61          1HD1      ILE  61 -14.104  26.207 -15.438
  467   2HD1  ILE  61          2HD1      ILE  61 -13.156  24.724 -15.248
  468   3HD1  ILE  61          3HD1      ILE  61 -14.217  25.257 -13.933
  469    H    THR  62           H        THR  62 -12.199  30.825 -14.171
  470    HA   THR  62           HA       THR  62 -13.953  32.339 -12.280
  471    HB   THR  62           HB       THR  62 -11.276  32.131 -12.139
  472    HG1  THR  62           HG1      THR  62 -12.370  33.105 -10.595
  473   1HG2  THR  62          1HG2      THR  62 -11.618  34.751 -13.643
  474   2HG2  THR  62          2HG2      THR  62 -10.162  34.104 -12.894
  475   3HG2  THR  62          3HG2      THR  62 -10.866  33.294 -14.326
  476    HA   PRO  63           HA       PRO  63 -15.741  34.670 -15.548
  477   1HB   PRO  63          1HB       PRO  63 -14.632  37.257 -14.478
  478   2HB   PRO  63          2HB       PRO  63 -16.322  36.860 -14.917
  479   1HG   PRO  63          1HG       PRO  63 -15.565  36.946 -12.323
  480   2HG   PRO  63          2HG       PRO  63 -16.624  35.615 -12.902
  481   1HD   PRO  63          1HD       PRO  63 -13.628  35.582 -12.471
  482   2HD   PRO  63          2HD       PRO  63 -14.848  34.371 -11.967
  483    H    ASN  64           H        ASN  64 -15.454  35.996 -17.371
  484    HA   ASN  64           HA       ASN  64 -13.348  36.215 -19.111
  485   1HB   ASN  64          1HB       ASN  64 -15.625  36.776 -19.594
  486   2HB   ASN  64          2HB       ASN  64 -15.681  37.982 -18.315
  487   1HD2  ASN  64          2HD2      ASN  64 -13.905  39.762 -18.671
  488   2HD2  ASN  64          1HD2      ASN  64 -14.086  40.519 -20.270
  489    HA   PRO  65           HA       PRO  65 -10.938  38.264 -15.943
  490   1HB   PRO  65          1HB       PRO  65  -8.366  37.795 -16.764
  491   2HB   PRO  65          2HB       PRO  65  -9.452  36.541 -16.100
  492   1HG   PRO  65          1HG       PRO  65  -8.911  37.157 -19.025
  493   2HG   PRO  65          2HG       PRO  65  -8.878  35.567 -18.204
  494   1HD   PRO  65          1HD       PRO  65 -11.053  36.447 -19.583
  495   2HD   PRO  65          2HD       PRO  65 -11.227  35.488 -18.083
  496    H    THR  66           H        THR  66  -9.832  40.148 -15.435
  497    HA   THR  66           HA       THR  66  -9.330  42.123 -17.601
  498    HB   THR  66           HB       THR  66 -10.252  43.817 -15.919
  499    HG1  THR  66           HG1      THR  66 -10.874  43.080 -14.054
  500   1HG2  THR  66          1HG2      THR  66 -12.603  43.360 -16.556
  501   2HG2  THR  66          2HG2      THR  66 -11.485  43.216 -17.926
  502   3HG2  THR  66          3HG2      THR  66 -12.115  41.754 -17.136
  503    H    MET  67           H        MET  67  -7.875  43.742 -17.205
  504    HA   MET  67           HA       MET  67  -6.097  43.434 -14.833
  505   1HB   MET  67          1HB       MET  67  -5.218  42.926 -17.346
  506   2HB   MET  67          2HB       MET  67  -4.948  44.669 -17.307
  507   1HG   MET  67          1HG       MET  67  -3.993  42.673 -15.200
  508   2HG   MET  67          2HG       MET  67  -3.015  43.240 -16.535
  509   1HE   MET  67          1HE       MET  67  -3.020  44.970 -12.471
  510   2HE   MET  67          2HE       MET  67  -4.296  43.852 -12.985
  511   3HE   MET  67          3HE       MET  67  -2.587  43.378 -13.146
  512    H    GLU  68           H        GLU  68  -5.907  45.209 -13.587
  513    HA   GLU  68           HA       GLU  68  -7.384  47.663 -14.341
  514   1HB   GLU  68          1HB       GLU  68  -7.993  45.686 -12.100
  515   2HB   GLU  68          2HB       GLU  68  -8.622  47.330 -12.116
  516   1HG   GLU  68          1HG       GLU  68  -9.950  46.932 -14.055
  517   2HG   GLU  68          2HG       GLU  68  -9.125  45.418 -14.427
  518    H    ASN  69           H        ASN  69  -7.335  49.138 -12.280
  519    HA   ASN  69           HA       ASN  69  -4.574  49.261 -11.174
  520   1HB   ASN  69          1HB       ASN  69  -5.380  51.578 -10.462
  521   2HB   ASN  69          2HB       ASN  69  -5.127  51.303 -12.185
  522   1HD2  ASN  69          2HD2      ASN  69  -6.505  53.359 -12.307
  523   2HD2  ASN  69          1HD2      ASN  69  -8.242  53.046 -12.331
  524    H    ASN  70           H        ASN  70  -7.980  49.451 -10.189
  525    HA   ASN  70           HA       ASN  70  -7.684  49.063  -7.399
  526   1HB   ASN  70          1HB       ASN  70 -10.118  48.705  -7.490
  527   2HB   ASN  70          2HB       ASN  70  -9.635  50.038  -8.528
  528   1HD2  ASN  70          1HD2      ASN  70 -10.136  46.503  -8.740
  529   2HD2  ASN  70          2HD2      ASN  70 -10.785  46.527 -10.416
  530    H    GLY  71           H        GLY  71  -6.087  46.979  -8.802
  531   1HA   GLY  71          1HA       GLY  71  -5.727  44.708  -7.834
  532   2HA   GLY  71          2HA       GLY  71  -7.469  44.443  -7.955
  533    H    GLY  72           H        GLY  72  -7.210  42.620  -9.291
  534   1HA   GLY  72          1HA       GLY  72  -7.847  41.984 -11.480
  535   2HA   GLY  72          2HA       GLY  72  -6.952  43.335 -12.155
  536    H    GLY  73           H        GLY  73  -6.723  41.165 -13.476
  537   1HA   GLY  73          1HA       GLY  73  -4.910  40.239 -14.589
  538   2HA   GLY  73          2HA       GLY  73  -3.905  40.394 -13.163
  539    H    PHE  74           H        PHE  74  -6.584  38.852 -11.937
  540    HA   PHE  74           HA       PHE  74  -5.199  36.249 -12.063
  541   1HB   PHE  74          1HB       PHE  74  -5.903  37.171  -9.870
  542   2HB   PHE  74          2HB       PHE  74  -7.585  37.138 -10.400
  543    HD1  PHE  74           HD1      PHE  74  -4.580  34.919  -9.911
  544    HD2  PHE  74           HD2      PHE  74  -8.888  35.130 -10.147
  545    HE1  PHE  74           HE1      PHE  74  -4.733  32.511  -9.369
  546    HE2  PHE  74           HE2      PHE  74  -9.026  32.713  -9.598
  547    HZ   PHE  74           HZ       PHE  74  -6.962  31.406  -9.208
  548    H    ILE  75           H        ILE  75  -6.000  34.317 -12.623
  549    HA   ILE  75           HA       ILE  75  -8.487  34.158 -14.235
  550    HB   ILE  75           HB       ILE  75  -5.816  33.211 -15.213
  551   1HG1  ILE  75          2HG1      ILE  75  -7.051  35.916 -15.773
  552   2HG1  ILE  75          3HG1      ILE  75  -5.475  35.578 -15.040
  553   1HG2  ILE  75          1HG2      ILE  75  -8.401  33.683 -16.717
  554   2HG2  ILE  75          2HG2      ILE  75  -6.889  33.015 -17.383
  555   3HG2  ILE  75          3HG2      ILE  75  -7.773  32.105 -16.189
  556   1HD1  ILE  75          1HD1      ILE  75  -6.270  35.140 -17.885
  557   2HD1  ILE  75          2HD1      ILE  75  -5.106  36.320 -17.253
  558   3HD1  ILE  75          3HD1      ILE  75  -4.719  34.583 -17.191
  559    H    GLU  76           H        GLU  76  -9.371  32.090 -14.193
  560    HA   GLU  76           HA       GLU  76  -7.661  29.801 -13.579
  561   1HB   GLU  76          1HB       GLU  76  -8.857  30.384 -11.451
  562   2HB   GLU  76          2HB       GLU  76 -10.394  30.086 -12.281
  563   1HG   GLU  76          1HG       GLU  76  -9.688  27.754 -12.773
  564   2HG   GLU  76          2HG       GLU  76  -8.147  28.037 -12.003
  565    H    MET  77           H        MET  77  -8.072  28.122 -14.924
  566    HA   MET  77           HA       MET  77 -10.588  27.897 -16.456
  567   1HB   MET  77          1HB       MET  77  -9.228  27.654 -18.583
  568   2HB   MET  77          2HB       MET  77  -9.325  29.295 -17.944
  569   1HG   MET  77          1HG       MET  77  -7.099  29.192 -17.041
  570   2HG   MET  77          2HG       MET  77  -7.004  27.461 -17.314
  571   1HE   MET  77          1HE       MET  77  -6.479  31.022 -18.825
  572   2HE   MET  77          2HE       MET  77  -6.530  30.696 -20.572
  573   3HE   MET  77          3HE       MET  77  -8.016  30.570 -19.604
  574    H    GLN  78           H        GLN  78 -10.790  25.760 -17.514
  575    HA   GLN  78           HA       GLN  78  -8.720  23.772 -16.662
  576   1HB   GLN  78          1HB       GLN  78 -10.864  23.507 -15.432
  577   2HB   GLN  78          2HB       GLN  78 -11.680  23.164 -16.964
  578   1HG   GLN  78          1HG       GLN  78 -10.322  21.161 -17.295
  579   2HG   GLN  78          2HG       GLN  78  -9.247  21.610 -15.964
  580   1HE2  GLN  78          2HE2      GLN  78  -9.590  20.440 -14.101
  581   2HE2  GLN  78          1HE2      GLN  78 -11.186  19.777 -13.692
  582    H    LEU  79           H        LEU  79  -8.281  22.060 -18.093
  583    HA   LEU  79           HA       LEU  79  -8.576  22.780 -20.966
  584   1HB   LEU  79          1HB       LEU  79  -6.081  22.522 -19.216
  585   2HB   LEU  79          2HB       LEU  79  -6.019  22.419 -20.956
  586    HG   LEU  79           HG       LEU  79  -7.013  24.772 -21.059
  587   1HD1  LEU  79          1HD1      LEU  79  -7.766  25.614 -19.075
  588   2HD1  LEU  79          2HD1      LEU  79  -6.814  24.473 -18.093
  589   3HD1  LEU  79          3HD1      LEU  79  -6.072  25.932 -18.727
  590   1HD2  LEU  79          1HD2      LEU  79  -4.691  24.276 -21.481
  591   2HD2  LEU  79          2HD2      LEU  79  -4.790  25.762 -20.531
  592   3HD2  LEU  79          3HD2      LEU  79  -4.332  24.250 -19.734
  593    HA   PRO  80           HA       PRO  80  -8.402  18.326 -21.547
  594   1HB   PRO  80          1HB       PRO  80  -7.198  18.039 -23.975
  595   2HB   PRO  80          2HB       PRO  80  -8.850  18.698 -23.761
  596   1HG   PRO  80          1HG       PRO  80  -6.266  20.227 -24.137
  597   2HG   PRO  80          2HG       PRO  80  -7.836  20.487 -24.957
  598   1HD   PRO  80          1HD       PRO  80  -7.024  21.938 -22.785
  599   2HD   PRO  80          2HD       PRO  80  -8.746  21.563 -23.075
  600    HA   PRO  81           HA       PRO  81  -4.318  17.410 -19.767
  601   1HB   PRO  81          1HB       PRO  81  -5.335  14.611 -20.244
  602   2HB   PRO  81          2HB       PRO  81  -4.463  15.272 -18.819
  603   1HG   PRO  81          1HG       PRO  81  -7.143  14.995 -18.692
  604   2HG   PRO  81          2HG       PRO  81  -6.399  16.535 -18.146
  605   1HD   PRO  81          1HD       PRO  81  -7.694  15.957 -20.815
  606   2HD   PRO  81          2HD       PRO  81  -7.938  17.342 -19.703
  607    H    GLY  82           H        GLY  82  -2.336  16.887 -20.470
  608   1HA   GLY  82          1HA       GLY  82  -0.937  15.916 -22.432
  609   2HA   GLY  82          2HA       GLY  82  -2.150  16.723 -23.444
  610    H    ASP  83           H        ASP  83  -0.579  18.202 -24.316
  611    HA   ASP  83           HA       ASP  83   0.524  20.207 -22.390
  612   1HB   ASP  83          1HB       ASP  83   2.258  18.955 -23.532
  613   2HB   ASP  83          2HB       ASP  83   1.552  19.328 -25.101
  614    H    ASN  84           H        ASN  84  -0.095  22.225 -22.517
  615    HA   ASN  84           HA       ASN  84  -1.585  23.241 -24.885
  616   1HB   ASN  84          1HB       ASN  84  -2.458  23.551 -21.984
  617   2HB   ASN  84          2HB       ASN  84  -3.250  24.243 -23.405
  618   1HD2  ASN  84          2HD2      ASN  84  -2.823  21.328 -21.485
  619   2HD2  ASN  84          1HD2      ASN  84  -4.123  20.437 -22.297
  620    H    ILE  85           H        ILE  85  -0.746  25.147 -25.515
  621    HA   ILE  85           HA       ILE  85   1.174  26.540 -23.720
  622    HB   ILE  85           HB       ILE  85   0.546  27.067 -26.648
  623   1HG1  ILE  85          2HG1      ILE  85   3.140  26.163 -26.559
  624   2HG1  ILE  85          3HG1      ILE  85   2.474  25.230 -25.230
  625   1HG2  ILE  85          1HG2      ILE  85   1.372  29.061 -25.458
  626   2HG2  ILE  85          2HG2      ILE  85   2.725  28.122 -24.784
  627   3HG2  ILE  85          3HG2      ILE  85   2.620  28.422 -26.534
  628   1HD1  ILE  85          1HD1      ILE  85   1.538  25.253 -28.135
  629   2HD1  ILE  85          2HD1      ILE  85   2.353  23.930 -27.275
  630   3HD1  ILE  85          3HD1      ILE  85   0.695  24.367 -26.848
  631    H    ILE  86           H        ILE  86   0.360  27.905 -22.309
  632    HA   ILE  86           HA       ILE  86  -2.290  29.124 -22.798
  633    HB   ILE  86           HB       ILE  86  -0.645  29.128 -20.254
  634   1HG1  ILE  86          2HG1      ILE  86  -2.777  27.245 -21.343
  635   2HG1  ILE  86          3HG1      ILE  86  -1.155  26.855 -20.802
  636   1HG2  ILE  86          1HG2      ILE  86  -2.813  29.792 -19.248
  637   2HG2  ILE  86          2HG2      ILE  86  -2.302  30.981 -20.430
  638   3HG2  ILE  86          3HG2      ILE  86  -3.573  29.810 -20.849
  639   1HD1  ILE  86          1HD1      ILE  86  -3.510  27.628 -19.049
  640   2HD1  ILE  86          2HD1      ILE  86  -2.694  26.065 -19.161
  641   3HD1  ILE  86          3HD1      ILE  86  -1.833  27.450 -18.469
  642    H    TYR  87           H        TYR  87  -2.559  31.109 -23.390
  643    HA   TYR  87           HA       TYR  87  -0.190  32.914 -23.615
  644   1HB   TYR  87          1HB       TYR  87  -2.601  32.352 -25.294
  645   2HB   TYR  87          2HB       TYR  87  -1.883  33.943 -25.368
  646    HD1  TYR  87           HD1      TYR  87   0.250  34.347 -26.258
  647    HD2  TYR  87           HD2      TYR  87  -1.379  30.372 -26.228
  648    HE1  TYR  87           HE1      TYR  87   1.816  33.703 -28.077
  649    HE2  TYR  87           HE2      TYR  87   0.308  29.654 -27.911
  650    HH   TYR  87           HH       TYR  87   1.980  30.404 -29.363
  651    H    VAL  88           H        VAL  88  -0.291  34.879 -22.967
  652    HA   VAL  88           HA       VAL  88  -2.862  36.218 -22.284
  653    HB   VAL  88           HB       VAL  88  -0.189  36.432 -20.844
  654   1HG1  VAL  88          1HG1      VAL  88  -2.675  38.181 -20.618
  655   2HG1  VAL  88          2HG1      VAL  88  -1.256  38.270 -19.556
  656   3HG1  VAL  88          3HG1      VAL  88  -1.100  38.668 -21.250
  657   1HG2  VAL  88          1HG2      VAL  88  -1.978  34.631 -20.158
  658   2HG2  VAL  88          2HG2      VAL  88  -1.317  35.668 -18.913
  659   3HG2  VAL  88          3HG2      VAL  88  -2.917  36.018 -19.570
  660    H    GLY  89           H        GLY  89  -3.064  36.890 -24.399
  661   1HA   GLY  89          1HA       GLY  89  -2.712  38.347 -26.161
  662   2HA   GLY  89          2HA       GLY  89  -1.281  38.985 -25.326
  663    H    GLU  90           H        GLU  90   0.672  38.406 -26.042
  664    HA   GLU  90           HA       GLU  90   0.992  35.851 -27.567
  665   1HB   GLU  90          1HB       GLU  90   1.432  38.330 -28.684
  666   2HB   GLU  90          2HB       GLU  90   3.043  37.896 -28.125
  667   1HG   GLU  90          1HG       GLU  90   2.739  37.115 -30.411
  668   2HG   GLU  90          2HG       GLU  90   2.857  35.714 -29.343
  669    H    LEU  91           H        LEU  91   1.975  37.632 -24.819
  670    HA   LEU  91           HA       LEU  91   4.342  36.165 -24.045
  671   1HB   LEU  91          1HB       LEU  91   3.515  38.264 -22.913
  672   2HB   LEU  91          2HB       LEU  91   2.070  37.391 -22.430
  673    HG   LEU  91           HG       LEU  91   3.811  35.723 -21.277
  674   1HD1  LEU  91          1HD1      LEU  91   5.753  36.898 -20.368
  675   2HD1  LEU  91          2HD1      LEU  91   5.834  36.902 -22.139
  676   3HD1  LEU  91          3HD1      LEU  91   5.328  38.367 -21.270
  677   1HD2  LEU  91          1HD2      LEU  91   3.092  38.429 -20.122
  678   2HD2  LEU  91          2HD2      LEU  91   2.061  36.982 -20.111
  679   3HD2  LEU  91          3HD2      LEU  91   3.576  36.982 -19.205
  680    H    LYS  92           H        LYS  92   4.429  34.086 -23.223
  681    HA   LYS  92           HA       LYS  92   1.898  32.576 -22.920
  682   1HB   LYS  92          1HB       LYS  92   2.540  30.918 -24.503
  683   2HB   LYS  92          2HB       LYS  92   2.705  32.483 -25.293
  684   1HG   LYS  92          1HG       LYS  92   5.214  32.385 -24.719
  685   2HG   LYS  92          2HG       LYS  92   4.928  30.738 -24.159
  686   1HD   LYS  92          1HD       LYS  92   5.498  30.154 -26.233
  687   2HD   LYS  92          2HD       LYS  92   3.833  30.531 -26.651
  688   1HE   LYS  92          HE2       LYS  92   6.142  32.536 -26.808
  689   2HE   LYS  92          HE3       LYS  92   5.690  31.467 -28.139
  690   1HZ   LYS  92          HZ1       LYS  92   3.477  32.460 -28.111
  691   2HZ   LYS  92          HZ2       LYS  92   3.946  33.587 -26.979
  692   3HZ   LYS  92          HZ3       LYS  92   4.640  33.566 -28.453
  693    H    HIS  93           H        HIS  93   2.173  30.411 -22.096
  694    HA   HIS  93           HA       HIS  93   4.780  29.604 -20.994
  695   1HB   HIS  93          1HB       HIS  93   3.702  30.892 -19.159
  696   2HB   HIS  93          2HB       HIS  93   2.301  29.831 -19.248
  697    HD1  HIS  93           HD1      HIS  93   2.968  27.089 -18.587
  698    HD2  HIS  93           HD2      HIS  93   5.661  30.188 -17.612
  699    HE1  HIS  93           HE1      HIS  93   4.498  26.180 -16.791
  700    H    GLN  94           H        GLN  94   5.047  27.465 -21.383
  701    HA   GLN  94           HA       GLN  94   2.955  25.840 -22.587
  702   1HB   GLN  94          1HB       GLN  94   5.351  25.798 -23.250
  703   2HB   GLN  94          2HB       GLN  94   5.774  25.154 -21.655
  704   1HG   GLN  94          1HG       GLN  94   4.395  23.141 -22.109
  705   2HG   GLN  94          2HG       GLN  94   3.907  23.835 -23.668
  706   1HE2  GLN  94          2HE2      GLN  94   4.776  21.839 -24.687
  707   2HE2  GLN  94          1HE2      GLN  94   6.553  21.784 -24.885
  708    H    TRP  95           H        TRP  95   1.398  24.771 -21.408
  709    HA   TRP  95           HA       TRP  95   2.040  23.953 -18.610
  710   1HB   TRP  95          1HB       TRP  95   0.471  25.748 -18.540
  711   2HB   TRP  95          2HB       TRP  95  -0.504  25.005 -19.812
  712    HD1  TRP  95           HD1      TRP  95  -2.353  23.489 -19.171
  713    HE1  TRP  95           HE1      TRP  95  -3.205  22.306 -16.995
  714    HE3  TRP  95           HE3      TRP  95   1.507  24.636 -15.999
  715    HZ2  TRP  95           HZ2      TRP  95  -2.231  21.734 -14.424
  716    HZ3  TRP  95           HZ3      TRP  95   1.586  23.619 -13.744
  717    HH2  TRP  95           HH2      TRP  95  -0.260  22.160 -12.950
  718    H    PHE  96           H        PHE  96   2.375  21.917 -18.523
  719    HA   PHE  96           HA       PHE  96   1.021  19.886 -20.118
  720   1HB   PHE  96          1HB       PHE  96   2.916  19.750 -17.744
  721   2HB   PHE  96          2HB       PHE  96   2.281  18.351 -18.606
  722    HD1  PHE  96           HD1      PHE  96   2.892  17.926 -20.983
  723    HD2  PHE  96           HD2      PHE  96   4.673  21.165 -18.758
  724    HE1  PHE  96           HE1      PHE  96   4.658  18.153 -22.714
  725    HE2  PHE  96           HE2      PHE  96   6.419  21.401 -20.504
  726    HZ   PHE  96           HZ       PHE  96   6.418  19.894 -22.477
  727    H    GLN  97           H        GLN  97  -1.044  19.540 -19.741
  728    HA   GLN  97           HA       GLN  97  -2.305  20.238 -17.171
  729   1HB   GLN  97          1HB       GLN  97  -3.286  21.121 -19.212
  730   2HB   GLN  97          2HB       GLN  97  -3.319  19.526 -19.944
  731   1HG   GLN  97          1HG       GLN  97  -5.526  20.222 -19.358
  732   2HG   GLN  97          2HG       GLN  97  -5.105  18.809 -18.408
  733   1HE2  GLN  97          2HE2      GLN  97  -7.226  19.982 -17.501
  734   2HE2  GLN  97          1HE2      GLN  97  -6.736  20.664 -15.928
  735    H    LYS  98           H        LYS  98  -3.335  18.957 -15.860
  736    HA   LYS  98           HA       LYS  98  -3.765  16.074 -16.414
  737   1HB   LYS  98          1HB       LYS  98  -2.025  15.936 -14.854
  738   2HB   LYS  98          2HB       LYS  98  -2.489  17.424 -14.044
  739   1HG   LYS  98          1HG       LYS  98  -2.852  15.647 -12.531
  740   2HG   LYS  98          2HG       LYS  98  -4.396  16.326 -12.991
  741   1HD   LYS  98          1HD       LYS  98  -4.593  14.302 -14.641
  742   2HD   LYS  98          2HD       LYS  98  -3.170  13.671 -13.823
  743   1HE   LYS  98          HE2       LYS  98  -5.057  12.656 -12.777
  744   2HE   LYS  98          HE3       LYS  98  -4.431  13.855 -11.631
  745   1HZ   LYS  98          HZ1       LYS  98  -6.850  13.984 -11.809
  746   2HZ   LYS  98          HZ2       LYS  98  -6.209  15.369 -12.347
  747   3HZ   LYS  98          HZ3       LYS  98  -6.780  14.243 -13.431
  748    H    GLY  99           H        GLY  99  -5.759  15.377 -15.859
  749   1HA   GLY  99          1HA       GLY  99  -7.741  16.625 -14.267
  750   2HA   GLY  99          2HA       GLY  99  -8.013  17.025 -15.976
  Start of MODEL    4
    1   1H    ILE   1           H1       ILE   1 -11.564  46.304  -8.701
    2   2H    ILE   1           H2       ILE   1 -11.658  45.497 -10.129
    3   3H    ILE   1           H3       ILE   1 -12.779  46.634  -9.728
    4    HA   ILE   1           HA       ILE   1 -12.294  44.136  -8.226
    5    HB   ILE   1           HB       ILE   1 -14.702  45.974  -8.057
    6   1HG1  ILE   1          2HG1      ILE   1 -12.786  47.022  -6.969
    7   2HG1  ILE   1          3HG1      ILE   1 -13.988  46.507  -5.804
    8   1HG2  ILE   1          1HG2      ILE   1 -15.295  44.488  -6.100
    9   2HG2  ILE   1          2HG2      ILE   1 -15.413  43.685  -7.662
   10   3HG2  ILE   1          3HG2      ILE   1 -14.017  43.371  -6.615
   11   1HD1  ILE   1          1HD1      ILE   1 -11.692  46.076  -5.016
   12   2HD1  ILE   1          2HD1      ILE   1 -12.608  44.571  -5.156
   13   3HD1  ILE   1          3HD1      ILE   1 -11.398  44.999  -6.392
   14    H    SER   2           H        SER   2 -15.172  45.348 -10.086
   15    HA   SER   2           HA       SER   2 -16.003  42.754 -10.702
   16   1HB   SER   2          1HB       SER   2 -17.438  44.762 -10.848
   17   2HB   SER   2          2HB       SER   2 -16.576  45.259 -12.326
   18    HG   SER   2           HG       SER   2 -18.513  44.003 -12.710
   19    H    LYS   3           H        LYS   3 -15.833  41.404 -12.387
   20    HA   LYS   3           HA       LYS   3 -13.407  41.543 -14.062
   21   1HB   LYS   3          1HB       LYS   3 -15.463  39.395 -13.447
   22   2HB   LYS   3          2HB       LYS   3 -14.140  39.149 -14.575
   23   1HG   LYS   3          1HG       LYS   3 -13.745  39.944 -11.655
   24   2HG   LYS   3          2HG       LYS   3 -13.688  38.299 -12.250
   25   1HD   LYS   3          1HD       LYS   3 -11.580  38.474 -12.930
   26   2HD   LYS   3          2HD       LYS   3 -11.884  39.916 -13.869
   27   1HE   LYS   3          HE2       LYS   3 -11.351  39.874 -10.859
   28   2HE   LYS   3          HE3       LYS   3 -10.140  40.181 -12.110
   29   1HZ   LYS   3          HZ1       LYS   3 -11.583  42.098 -12.820
   30   2HZ   LYS   3          HZ2       LYS   3 -12.423  41.937 -11.387
   31   3HZ   LYS   3          HZ3       LYS   3 -10.843  42.319 -11.427
   32    H    GLY   4           H        GLY   4 -14.521  43.458 -14.839
   33   1HA   GLY   4          1HA       GLY   4 -16.570  44.128 -16.293
   34   2HA   GLY   4          2HA       GLY   4 -14.969  44.620 -16.804
   35    H    LEU   5           H        LEU   5 -17.683  42.592 -17.470
   36    HA   LEU   5           HA       LEU   5 -16.838  41.145 -19.728
   37   1HB   LEU   5          1HB       LEU   5 -19.565  42.388 -19.123
   38   2HB   LEU   5          2HB       LEU   5 -19.256  41.190 -20.359
   39    HG   LEU   5           HG       LEU   5 -20.283  40.055 -18.628
   40   1HD1  LEU   5          1HD1      LEU   5 -18.701  38.347 -17.979
   41   2HD1  LEU   5          2HD1      LEU   5 -18.318  38.887 -19.625
   42   3HD1  LEU   5          3HD1      LEU   5 -17.338  39.451 -18.248
   43   1HD2  LEU   5          1HD2      LEU   5 -19.720  40.003 -16.325
   44   2HD2  LEU   5          2HD2      LEU   5 -18.256  40.958 -16.556
   45   3HD2  LEU   5          3HD2      LEU   5 -19.865  41.704 -16.785
   46    H    THR   6           H        THR   6 -17.445  44.594 -19.492
   47    HA   THR   6           HA       THR   6 -17.864  44.932 -22.387
   48    HB   THR   6           HB       THR   6 -18.362  47.305 -21.616
   49    HG1  THR   6           HG1      THR   6 -18.687  47.511 -19.383
   50   1HG2  THR   6          1HG2      THR   6 -20.537  46.753 -20.645
   51   2HG2  THR   6          2HG2      THR   6 -20.164  45.637 -21.970
   52   3HG2  THR   6          3HG2      THR   6 -19.995  45.100 -20.284
   53    H    TYR   7           H        TYR   7 -15.116  45.143 -20.284
   54    HA   TYR   7           HA       TYR   7 -13.961  47.490 -21.526
   55   1HB   TYR   7          1HB       TYR   7 -12.597  45.270 -19.968
   56   2HB   TYR   7          2HB       TYR   7 -11.902  46.837 -20.366
   57    HD1  TYR   7           HD1      TYR   7 -14.312  48.650 -19.730
   58    HD2  TYR   7           HD2      TYR   7 -12.468  45.374 -17.600
   59    HE1  TYR   7           HE1      TYR   7 -15.086  49.608 -17.604
   60    HE2  TYR   7           HE2      TYR   7 -13.245  46.365 -15.441
   61    HH   TYR   7           HH       TYR   7 -15.147  49.376 -15.320
   62    H    THR   8           H        THR   8 -12.103  47.657 -22.896
   63    HA   THR   8           HA       THR   8 -12.177  45.962 -25.209
   64    HB   THR   8           HB       THR   8 -10.042  47.344 -25.735
   65    HG1  THR   8           HG1      THR   8  -9.898  49.220 -24.435
   66   1HG2  THR   8          1HG2      THR   8 -12.639  48.838 -25.171
   67   2HG2  THR   8          2HG2      THR   8 -11.331  49.365 -26.254
   68   3HG2  THR   8          3HG2      THR   8 -12.268  47.913 -26.645
   69    H    MET   9           H        MET   9 -10.374  44.774 -26.087
   70    HA   MET   9           HA       MET   9  -9.143  42.948 -24.232
   71   1HB   MET   9          1HB       MET   9  -8.453  43.476 -27.153
   72   2HB   MET   9          2HB       MET   9  -8.019  42.051 -26.208
   73   1HG   MET   9          1HG       MET   9 -10.822  42.919 -27.020
   74   2HG   MET   9          2HG       MET   9  -9.904  41.596 -27.714
   75   1HE   MET   9          1HE       MET   9  -8.736  39.893 -25.388
   76   2HE   MET   9          2HE       MET   9 -10.087  38.771 -25.123
   77   3HE   MET   9          3HE       MET   9  -9.662  39.271 -26.775
   78    H    CYS  10           H        CYS  10  -7.240  43.132 -23.156
   79    HA   CYS  10           HA       CYS  10  -5.599  45.470 -23.193
   80   1HB   CYS  10          1HB       CYS  10  -4.857  42.648 -22.419
   81   2HB   CYS  10          2HB       CYS  10  -4.003  44.077 -21.929
   82    H    ASP  11           H        ASP  11  -3.595  45.896 -24.143
   83    HA   ASP  11           HA       ASP  11  -2.895  44.986 -26.686
   84   1HB   ASP  11          1HB       ASP  11  -2.176  47.092 -25.662
   85   2HB   ASP  11          2HB       ASP  11  -1.148  46.220 -24.528
   86    H    LYS  12           H        LYS  12  -2.200  43.130 -27.391
   87    HA   LYS  12           HA       LYS  12  -1.449  40.882 -25.897
   88   1HB   LYS  12          1HB       LYS  12  -0.855  41.590 -28.805
   89   2HB   LYS  12          2HB       LYS  12  -0.583  40.005 -28.100
   90   1HG   LYS  12          1HG       LYS  12  -3.081  39.940 -27.511
   91   2HG   LYS  12          2HG       LYS  12  -3.254  41.412 -28.465
   92   1HD   LYS  12          1HD       LYS  12  -3.842  39.568 -29.888
   93   2HD   LYS  12          2HD       LYS  12  -2.277  40.186 -30.442
   94   1HE   LYS  12          HE2       LYS  12  -1.170  38.359 -29.066
   95   2HE   LYS  12          HE3       LYS  12  -2.766  37.707 -28.708
   96   1HZ   LYS  12          HZ1       LYS  12  -3.055  37.202 -31.015
   97   2HZ   LYS  12          HZ2       LYS  12  -1.705  38.043 -31.453
   98   3HZ   LYS  12          HZ3       LYS  12  -1.541  36.657 -30.602
   99    H    ALA  13           H        ALA  13   0.602  43.565 -26.644
  100    HA   ALA  13           HA       ALA  13   3.089  41.954 -26.366
  101   1HB   ALA  13          1HB       ALA  13   2.664  43.170 -28.481
  102   2HB   ALA  13          2HB       ALA  13   2.582  44.698 -27.579
  103   3HB   ALA  13          3HB       ALA  13   4.100  43.779 -27.641
  104    H    LYS  14           H        LYS  14   1.296  43.593 -24.172
  105    HA   LYS  14           HA       LYS  14   3.685  44.930 -22.903
  106   1HB   LYS  14          1HB       LYS  14   0.769  45.683 -22.615
  107   2HB   LYS  14          2HB       LYS  14   2.124  46.550 -21.930
  108   1HG   LYS  14          1HG       LYS  14   1.608  46.165 -24.885
  109   2HG   LYS  14          2HG       LYS  14   1.113  47.580 -23.973
  110   1HD   LYS  14          1HD       LYS  14   3.173  48.522 -24.057
  111   2HD   LYS  14          2HD       LYS  14   3.998  47.010 -23.686
  112   1HE   LYS  14          HE2       LYS  14   4.664  47.702 -25.895
  113   2HE   LYS  14          HE3       LYS  14   3.699  46.227 -26.003
  114   1HZ   LYS  14          HZ1       LYS  14   3.001  47.807 -27.682
  115   2HZ   LYS  14          HZ2       LYS  14   1.766  47.623 -26.629
  116   3HZ   LYS  14          HZ3       LYS  14   2.690  48.966 -26.550
  117    H    PHE  15           H        PHE  15   2.145  42.155 -22.442
  118    HA   PHE  15           HA       PHE  15   1.607  42.293 -19.561
  119   1HB   PHE  15          1HB       PHE  15   1.466  40.143 -21.697
  120   2HB   PHE  15          2HB       PHE  15   1.323  39.731 -19.998
  121    HD1  PHE  15           HD1      PHE  15  -0.408  40.811 -18.545
  122    HD2  PHE  15           HD2      PHE  15  -0.457  41.078 -22.856
  123    HE1  PHE  15           HE1      PHE  15  -2.840  41.320 -18.488
  124    HE2  PHE  15           HE2      PHE  15  -2.858  41.611 -22.796
  125    HZ   PHE  15           HZ       PHE  15  -4.064  41.682 -20.581
  126    H    THR  16           H        THR  16   2.475  40.998 -17.975
  127    HA   THR  16           HA       THR  16   4.965  39.486 -18.457
  128    HB   THR  16           HB       THR  16   5.948  40.342 -16.380
  129    HG1  THR  16           HG1      THR  16   3.633  41.983 -16.371
  130   1HG2  THR  16          1HG2      THR  16   6.543  41.468 -18.536
  131   2HG2  THR  16          2HG2      THR  16   5.294  42.690 -18.208
  132   3HG2  THR  16          3HG2      THR  16   6.676  42.522 -17.114
  133    H    TRP  17           H        TRP  17   5.067  37.601 -17.234
  134    HA   TRP  17           HA       TRP  17   2.658  36.628 -15.935
  135   1HB   TRP  17          1HB       TRP  17   5.449  35.477 -16.268
  136   2HB   TRP  17          2HB       TRP  17   4.159  34.660 -15.408
  137    HD1  TRP  17           HD1      TRP  17   5.738  34.430 -18.560
  138    HE1  TRP  17           HE1      TRP  17   4.268  33.297 -20.346
  139    HE3  TRP  17           HE3      TRP  17   1.188  34.819 -16.220
  140    HZ2  TRP  17           HZ2      TRP  17   1.457  32.743 -20.740
  141    HZ3  TRP  17           HZ3      TRP  17  -0.858  34.011 -17.348
  142    HH2  TRP  17           HH2      TRP  17  -0.736  32.954 -19.590
  143    H    LYS  18           H        LYS  18   2.089  37.283 -13.970
  144    HA   LYS  18           HA       LYS  18   4.038  38.018 -11.852
  145   1HB   LYS  18          1HB       LYS  18   1.703  39.131 -12.324
  146   2HB   LYS  18          2HB       LYS  18   1.035  37.693 -11.546
  147   1HG   LYS  18          1HG       LYS  18   2.792  38.374  -9.633
  148   2HG   LYS  18          2HG       LYS  18   2.660  39.957 -10.402
  149   1HD   LYS  18          1HD       LYS  18   0.471  38.276  -9.142
  150   2HD   LYS  18          2HD       LYS  18   1.092  39.818  -8.559
  151   1HE   LYS  18          HE2       LYS  18   0.116  40.969 -10.549
  152   2HE   LYS  18          HE3       LYS  18  -0.468  39.414 -11.150
  153   1HZ   LYS  18          HZ1       LYS  18  -1.351  40.752  -8.666
  154   2HZ   LYS  18          HZ2       LYS  18  -2.262  40.411 -10.004
  155   3HZ   LYS  18          HZ3       LYS  18  -1.719  39.199  -9.018
  156    H    ARG  19           H        ARG  19   1.757  35.518 -12.745
  157    HA   ARG  19           HA       ARG  19   3.237  33.430 -11.246
  158   1HB   ARG  19          1HB       ARG  19   1.234  34.215  -9.866
  159   2HB   ARG  19          2HB       ARG  19   0.218  33.667 -11.205
  160   1HG   ARG  19          1HG       ARG  19   1.274  31.348 -10.882
  161   2HG   ARG  19          2HG       ARG  19   1.859  31.975  -9.329
  162   1HD   ARG  19          1HD       ARG  19  -1.029  31.801 -10.311
  163   2HD   ARG  19          2HD       ARG  19  -0.303  30.821  -9.049
  164    HE   ARG  19           HE       ARG  19  -1.012  33.762  -8.846
  165   1HH1  ARG  19          1HH1      ARG  19  -0.115  30.870  -7.058
  166   2HH1  ARG  19          2HH1      ARG  19  -0.492  31.640  -5.535
  167   1HH2  ARG  19          1HH2      ARG  19  -1.416  34.621  -7.109
  168   2HH2  ARG  19          2HH2      ARG  19  -1.249  33.825  -5.527
  169    H    ALA  20           H        ALA  20   3.977  32.388 -13.078
  170    HA   ALA  20           HA       ALA  20   2.539  32.213 -15.531
  171   1HB   ALA  20          1HB       ALA  20   4.224  30.510 -16.118
  172   2HB   ALA  20          2HB       ALA  20   4.968  31.943 -15.393
  173   3HB   ALA  20          3HB       ALA  20   4.769  30.455 -14.431
  174    HA   PRO  21           HA       PRO  21  -0.651  29.340 -14.882
  175   1HB   PRO  21          1HB       PRO  21   0.381  27.761 -17.228
  176   2HB   PRO  21          2HB       PRO  21  -1.293  28.281 -16.846
  177   1HG   PRO  21          1HG       PRO  21   0.292  29.661 -18.615
  178   2HG   PRO  21          2HG       PRO  21  -0.866  30.489 -17.542
  179   1HD   PRO  21          1HD       PRO  21   2.104  30.353 -17.355
  180   2HD   PRO  21          2HD       PRO  21   0.964  31.592 -16.775
  181    H    THR  22           H        THR  22  -0.985  27.938 -13.369
  182    HA   THR  22           HA       THR  22   0.538  25.396 -13.218
  183    HB   THR  22           HB       THR  22   1.735  26.818 -11.690
  184    HG1  THR  22           HG1      THR  22  -0.030  25.297 -10.072
  185   1HG2  THR  22          1HG2      THR  22   0.751  27.873  -9.732
  186   2HG2  THR  22          2HG2      THR  22   0.018  28.553 -11.195
  187   3HG2  THR  22          3HG2      THR  22  -0.874  27.355 -10.221
  188    H    ASP  23           H        ASP  23  -0.517  23.766 -11.993
  189    HA   ASP  23           HA       ASP  23  -3.395  23.673 -11.893
  190   1HB   ASP  23          1HB       ASP  23  -2.126  21.635 -12.058
  191   2HB   ASP  23          2HB       ASP  23  -1.184  22.036 -10.623
  192    H    SER  24           H        SER  24  -4.719  23.931 -10.206
  193    HA   SER  24           HA       SER  24  -4.123  25.680  -7.920
  194   1HB   SER  24          1HB       SER  24  -6.588  25.547  -7.675
  195   2HB   SER  24          2HB       SER  24  -6.148  25.915  -9.355
  196    HG   SER  24           HG       SER  24  -7.519  24.291  -9.638
  197    H    GLY  25           H        GLY  25  -3.926  22.339  -8.457
  198   1HA   GLY  25          1HA       GLY  25  -3.597  20.573  -6.963
  199   2HA   GLY  25          2HA       GLY  25  -4.184  21.554  -5.613
  200    H    HIS  26           H        HIS  26  -6.226  21.992  -8.248
  201    HA   HIS  26           HA       HIS  26  -8.167  19.908  -7.358
  202   1HB   HIS  26          1HB       HIS  26  -8.738  22.851  -7.891
  203   2HB   HIS  26          2HB       HIS  26  -9.916  21.623  -7.486
  204    HD1  HIS  26           HD1      HIS  26  -6.824  23.311  -5.736
  205    HD2  HIS  26           HD2      HIS  26 -10.436  21.241  -4.981
  206    HE1  HIS  26           HE1      HIS  26  -7.197  23.357  -3.222
  207    H    ASP  27           H        ASP  27  -6.275  20.277  -9.796
  208    HA   ASP  27           HA       ASP  27  -6.239  19.732 -11.957
  209   1HB   ASP  27          1HB       ASP  27  -9.020  18.620 -11.427
  210   2HB   ASP  27          2HB       ASP  27  -8.186  18.471 -12.961
  211    H    THR  28           H        THR  28  -7.239  22.351 -11.017
  212    HA   THR  28           HA       THR  28  -8.208  23.392 -13.645
  213    HB   THR  28           HB       THR  28  -9.136  25.317 -12.500
  214    HG1  THR  28           HG1      THR  28  -9.101  25.645 -10.398
  215   1HG2  THR  28          1HG2      THR  28 -10.653  23.385 -12.847
  216   2HG2  THR  28          2HG2      THR  28 -10.213  22.757 -11.243
  217   3HG2  THR  28          3HG2      THR  28 -11.064  24.302 -11.380
  218    H    VAL  29           H        VAL  29  -7.238  25.378 -14.298
  219    HA   VAL  29           HA       VAL  29  -4.405  25.528 -13.442
  220    HB   VAL  29           HB       VAL  29  -5.525  26.236 -16.169
  221   1HG1  VAL  29          1HG1      VAL  29  -2.705  25.669 -15.135
  222   2HG1  VAL  29          2HG1      VAL  29  -3.140  25.990 -16.818
  223   3HG1  VAL  29          3HG1      VAL  29  -3.342  27.262 -15.603
  224   1HG2  VAL  29          1HG2      VAL  29  -4.252  23.633 -15.242
  225   2HG2  VAL  29          2HG2      VAL  29  -5.920  23.834 -15.806
  226   3HG2  VAL  29          3HG2      VAL  29  -4.592  24.083 -16.934
  227    H    VAL  30           H        VAL  30  -3.943  27.246 -12.342
  228    HA   VAL  30           HA       VAL  30  -5.449  29.800 -12.707
  229    HB   VAL  30           HB       VAL  30  -4.427  30.529 -10.594
  230   1HG1  VAL  30          1HG1      VAL  30  -6.012  27.942 -10.393
  231   2HG1  VAL  30          2HG1      VAL  30  -5.792  29.120  -9.084
  232   3HG1  VAL  30          3HG1      VAL  30  -6.657  29.590 -10.553
  233   1HG2  VAL  30          1HG2      VAL  30  -2.416  29.112 -10.518
  234   2HG2  VAL  30          2HG2      VAL  30  -3.381  28.947  -9.048
  235   3HG2  VAL  30          3HG2      VAL  30  -3.428  27.669 -10.275
  236    H    MET  31           H        MET  31  -4.349  31.706 -13.091
  237    HA   MET  31           HA       MET  31  -1.449  31.778 -13.111
  238   1HB   MET  31          1HB       MET  31  -1.097  32.488 -15.402
  239   2HB   MET  31          2HB       MET  31  -1.884  30.920 -15.397
  240   1HG   MET  31          1HG       MET  31  -4.039  32.547 -15.451
  241   2HG   MET  31          2HG       MET  31  -2.897  33.532 -16.354
  242   1HE   MET  31          1HE       MET  31  -5.152  30.391 -16.076
  243   2HE   MET  31          2HE       MET  31  -4.617  29.364 -17.428
  244   3HE   MET  31          3HE       MET  31  -3.553  29.617 -16.037
  245    H    GLU  32           H        GLU  32  -0.654  34.012 -13.515
  246    HA   GLU  32           HA       GLU  32  -2.663  36.118 -12.970
  247   1HB   GLU  32          1HB       GLU  32  -1.748  34.739 -10.877
  248   2HB   GLU  32          2HB       GLU  32  -0.348  35.815 -11.064
  249   1HG   GLU  32          1HG       GLU  32  -1.838  37.751 -10.828
  250   2HG   GLU  32          2HG       GLU  32  -3.225  36.672 -10.647
  251    H    VAL  33           H        VAL  33  -1.918  38.214 -13.426
  252    HA   VAL  33           HA       VAL  33   0.820  38.450 -14.610
  253    HB   VAL  33           HB       VAL  33  -0.116  39.541 -16.603
  254   1HG1  VAL  33          1HG1      VAL  33  -0.607  37.534 -17.781
  255   2HG1  VAL  33          2HG1      VAL  33   0.559  37.137 -16.532
  256   3HG1  VAL  33          3HG1      VAL  33  -1.150  36.704 -16.307
  257   1HG2  VAL  33          1HG2      VAL  33  -2.812  38.498 -15.650
  258   2HG2  VAL  33          2HG2      VAL  33  -2.337  40.207 -15.768
  259   3HG2  VAL  33          3HG2      VAL  33  -2.457  39.215 -17.230
  260    H    ALA  34           H        ALA  34   1.533  40.485 -15.181
  261    HA   ALA  34           HA       ALA  34   0.186  42.826 -13.942
  262   1HB   ALA  34          1HB       ALA  34   2.445  43.728 -13.378
  263   2HB   ALA  34          2HB       ALA  34   2.020  42.271 -12.456
  264   3HB   ALA  34          3HB       ALA  34   3.153  42.159 -13.811
  265    H    PHE  35           H        PHE  35  -0.010  44.515 -15.318
  266    HA   PHE  35           HA       PHE  35   0.774  43.952 -18.135
  267   1HB   PHE  35          1HB       PHE  35  -1.511  43.304 -17.620
  268   2HB   PHE  35          2HB       PHE  35  -1.846  44.893 -16.930
  269    HD1  PHE  35           HD1      PHE  35  -0.342  43.564 -20.133
  270    HD2  PHE  35           HD2      PHE  35  -3.192  46.246 -18.327
  271    HE1  PHE  35           HE1      PHE  35  -0.950  44.418 -22.349
  272    HE2  PHE  35           HE2      PHE  35  -3.690  47.191 -20.573
  273    HZ   PHE  35           HZ       PHE  35  -2.538  46.326 -22.566
  274    H    SER  36           H        SER  36   1.945  45.442 -19.074
  275    HA   SER  36           HA       SER  36   2.366  48.032 -17.875
  276   1HB   SER  36          1HB       SER  36   3.552  47.357 -20.541
  277   2HB   SER  36          2HB       SER  36   4.265  48.156 -19.145
  278    HG   SER  36           HG       SER  36   3.778  45.389 -19.591
  279    H    GLY  37           H        GLY  37  -0.040  47.144 -20.027
  280   1HA   GLY  37          1HA       GLY  37   0.022  49.614 -21.672
  281   2HA   GLY  37          2HA       GLY  37  -1.040  48.230 -21.888
  282    H    THR  38           H        THR  38  -2.940  49.461 -21.992
  283    HA   THR  38           HA       THR  38  -3.829  51.557 -20.404
  284    HB   THR  38           HB       THR  38  -6.145  50.231 -21.044
  285    HG1  THR  38           HG1      THR  38  -5.798  49.166 -22.978
  286   1HG2  THR  38          1HG2      THR  38  -5.523  52.470 -21.834
  287   2HG2  THR  38          2HG2      THR  38  -4.415  51.750 -23.029
  288   3HG2  THR  38          3HG2      THR  38  -6.170  51.471 -23.142
  289    H    LYS  39           H        LYS  39  -5.522  51.679 -18.858
  290    HA   LYS  39           HA       LYS  39  -6.494  49.231 -17.622
  291   1HB   LYS  39          1HB       LYS  39  -5.796  51.649 -15.906
  292   2HB   LYS  39          2HB       LYS  39  -6.535  50.148 -15.362
  293   1HG   LYS  39          1HG       LYS  39  -3.706  50.463 -16.420
  294   2HG   LYS  39          2HG       LYS  39  -4.148  50.387 -14.725
  295   1HD   LYS  39          1HD       LYS  39  -4.777  48.109 -14.812
  296   2HD   LYS  39          2HD       LYS  39  -4.862  48.067 -16.560
  297   1HE   LYS  39          HE2       LYS  39  -2.324  48.394 -14.897
  298   2HE   LYS  39          HE3       LYS  39  -2.862  46.929 -15.725
  299   1HZ   LYS  39          HZ1       LYS  39  -2.792  48.329 -17.825
  300   2HZ   LYS  39          HZ2       LYS  39  -1.949  49.434 -17.014
  301   3HZ   LYS  39          HZ3       LYS  39  -1.310  47.930 -17.146
  302    HA   PRO  40           HA       PRO  40  -8.430  48.567 -16.793
  303   1HB   PRO  40          1HB       PRO  40 -10.937  47.931 -17.497
  304   2HB   PRO  40          2HB       PRO  40 -10.657  49.081 -16.156
  305   1HG   PRO  40          1HG       PRO  40 -11.272  49.732 -19.067
  306   2HG   PRO  40          2HG       PRO  40 -12.095  50.364 -17.606
  307   1HD   PRO  40          1HD       PRO  40 -10.043  51.697 -18.869
  308   2HD   PRO  40          2HD       PRO  40 -10.298  51.796 -17.102
  309    H    CYS  41           H        CYS  41  -8.608  46.486 -17.981
  310    HA   CYS  41           HA       CYS  41  -9.709  46.487 -20.644
  311   1HB   CYS  41          1HB       CYS  41  -7.762  45.551 -21.816
  312   2HB   CYS  41          2HB       CYS  41  -7.495  47.194 -21.273
  313    H    ARG  42           H        ARG  42  -9.901  44.323 -21.511
  314    HA   ARG  42           HA       ARG  42 -10.153  42.096 -19.548
  315   1HB   ARG  42          1HB       ARG  42 -12.054  42.223 -20.880
  316   2HB   ARG  42          2HB       ARG  42 -11.147  42.659 -22.337
  317   1HG   ARG  42          1HG       ARG  42 -10.364  40.435 -22.682
  318   2HG   ARG  42          2HG       ARG  42 -10.858  39.905 -21.072
  319   1HD   ARG  42          1HD       ARG  42 -12.279  39.251 -23.182
  320   2HD   ARG  42          2HD       ARG  42 -13.024  39.658 -21.638
  321    HE   ARG  42           HE       ARG  42 -12.706  41.787 -23.692
  322   1HH1  ARG  42          1HH1      ARG  42 -15.070  39.752 -21.913
  323   2HH1  ARG  42          2HH1      ARG  42 -16.282  41.020 -22.156
  324   1HH2  ARG  42          1HH2      ARG  42 -14.306  43.390 -23.413
  325   2HH2  ARG  42          2HH2      ARG  42 -15.919  42.816 -22.989
  326    H    ILE  43           H        ILE  43  -8.771  40.473 -19.457
  327    HA   ILE  43           HA       ILE  43  -6.213  40.747 -20.805
  328    HB   ILE  43           HB       ILE  43  -7.240  38.599 -18.920
  329   1HG1  ILE  43          2HG1      ILE  43  -5.334  40.958 -18.491
  330   2HG1  ILE  43          3HG1      ILE  43  -7.014  40.944 -17.985
  331   1HG2  ILE  43          1HG2      ILE  43  -4.452  39.156 -20.032
  332   2HG2  ILE  43          2HG2      ILE  43  -4.807  37.972 -18.771
  333   3HG2  ILE  43          3HG2      ILE  43  -5.437  37.718 -20.386
  334   1HD1  ILE  43          1HD1      ILE  43  -4.872  39.103 -16.879
  335   2HD1  ILE  43          2HD1      ILE  43  -5.568  40.525 -16.097
  336   3HD1  ILE  43          3HD1      ILE  43  -6.583  39.109 -16.409
  337    HA   PRO  44           HA       PRO  44  -7.606  38.107 -24.289
  338   1HB   PRO  44          1HB       PRO  44  -5.397  38.313 -25.871
  339   2HB   PRO  44          2HB       PRO  44  -6.518  39.683 -25.644
  340   1HG   PRO  44          1HG       PRO  44  -3.959  39.156 -24.097
  341   2HG   PRO  44          2HG       PRO  44  -4.418  40.643 -24.976
  342   1HD   PRO  44          1HD       PRO  44  -4.825  40.340 -22.323
  343   2HD   PRO  44          2HD       PRO  44  -6.057  41.161 -23.341
  344    H    VAL  45           H        VAL  45  -7.462  36.624 -22.365
  345    HA   VAL  45           HA       VAL  45  -5.187  34.792 -22.298
  346    HB   VAL  45           HB       VAL  45  -6.830  35.496 -20.357
  347   1HG1  VAL  45          1HG1      VAL  45  -8.257  32.972 -21.294
  348   2HG1  VAL  45          2HG1      VAL  45  -8.579  33.931 -19.847
  349   3HG1  VAL  45          3HG1      VAL  45  -8.917  34.617 -21.446
  350   1HG2  VAL  45          1HG2      VAL  45  -6.288  33.362 -19.212
  351   2HG2  VAL  45          2HG2      VAL  45  -5.704  32.705 -20.747
  352   3HG2  VAL  45          3HG2      VAL  45  -4.909  34.105 -20.020
  353    H    ARG  46           H        ARG  46  -5.210  32.635 -22.920
  354    HA   ARG  46           HA       ARG  46  -7.472  31.164 -23.815
  355   1HB   ARG  46          1HB       ARG  46  -6.769  30.717 -26.180
  356   2HB   ARG  46          2HB       ARG  46  -7.336  32.362 -25.924
  357   1HG   ARG  46          1HG       ARG  46  -4.909  33.052 -25.684
  358   2HG   ARG  46          2HG       ARG  46  -4.474  31.408 -26.208
  359   1HD   ARG  46          1HD       ARG  46  -5.205  31.796 -28.397
  360   2HD   ARG  46          2HD       ARG  46  -6.213  33.178 -27.920
  361    HE   ARG  46           HE       ARG  46  -4.056  34.328 -27.271
  362   1HH1  ARG  46          1HH1      ARG  46  -3.896  32.066 -29.998
  363   2HH1  ARG  46          2HH1      ARG  46  -2.445  32.830 -30.581
  364   1HH2  ARG  46          1HH2      ARG  46  -2.159  35.129 -28.014
  365   2HH2  ARG  46          2HH2      ARG  46  -1.541  34.637 -29.548
  366    H    ALA  47           H        ALA  47  -6.790  28.934 -24.426
  367    HA   ALA  47           HA       ALA  47  -3.923  28.278 -23.855
  368   1HB   ALA  47          1HB       ALA  47  -5.267  27.638 -21.884
  369   2HB   ALA  47          2HB       ALA  47  -6.388  26.738 -22.930
  370   3HB   ALA  47          3HB       ALA  47  -4.704  26.201 -22.778
  371    H    VAL  48           H        VAL  48  -2.999  27.083 -25.492
  372    HA   VAL  48           HA       VAL  48  -4.885  25.996 -27.548
  373    HB   VAL  48           HB       VAL  48  -3.616  26.866 -29.285
  374   1HG1  VAL  48          1HG1      VAL  48  -5.271  28.380 -28.209
  375   2HG1  VAL  48          2HG1      VAL  48  -3.964  29.104 -27.250
  376   3HG1  VAL  48          3HG1      VAL  48  -3.963  29.258 -29.011
  377   1HG2  VAL  48          1HG2      VAL  48  -1.701  28.419 -29.008
  378   2HG2  VAL  48          2HG2      VAL  48  -1.650  28.046 -27.291
  379   3HG2  VAL  48          3HG2      VAL  48  -1.308  26.777 -28.494
  380    H    ALA  49           H        ALA  49  -4.762  23.925 -27.812
  381    HA   ALA  49           HA       ALA  49  -2.840  22.335 -26.455
  382   1HB   ALA  49          1HB       ALA  49  -3.957  20.446 -27.605
  383   2HB   ALA  49          2HB       ALA  49  -5.099  21.568 -26.857
  384   3HB   ALA  49          3HB       ALA  49  -4.846  21.604 -28.622
  385    H    HIS  50           H        HIS  50  -1.242  20.993 -27.142
  386    HA   HIS  50           HA       HIS  50   0.701  21.840 -28.854
  387   1HB   HIS  50          1HB       HIS  50   0.822  20.184 -27.025
  388   2HB   HIS  50          2HB       HIS  50   0.139  18.954 -28.082
  389    HD1  HIS  50           HD1      HIS  50   3.329  20.230 -26.884
  390    HD2  HIS  50           HD2      HIS  50   1.824  18.560 -30.464
  391    HE1  HIS  50           HE1      HIS  50   5.357  19.404 -28.251
  392    H    GLY  51           H        GLY  51   0.084  22.472 -30.865
  393   1HA   GLY  51          1HA       GLY  51   0.636  21.499 -33.152
  394   2HA   GLY  51          2HA       GLY  51  -0.689  20.379 -32.869
  395    H    ALA  52           H        ALA  52  -2.097  22.970 -31.517
  396    HA   ALA  52           HA       ALA  52  -2.902  24.254 -34.105
  397   1HB   ALA  52          1HB       ALA  52  -4.784  23.005 -32.084
  398   2HB   ALA  52          2HB       ALA  52  -5.251  23.960 -33.511
  399   3HB   ALA  52          3HB       ALA  52  -4.420  22.407 -33.721
  400    HA   PRO  53           HA       PRO  53  -2.183  27.448 -30.860
  401   1HB   PRO  53          1HB       PRO  53  -1.041  29.387 -32.411
  402   2HB   PRO  53          2HB       PRO  53  -0.143  27.973 -31.781
  403   1HG   PRO  53          1HG       PRO  53  -1.442  28.284 -34.510
  404   2HG   PRO  53          2HG       PRO  53   0.235  27.762 -34.141
  405   1HD   PRO  53          1HD       PRO  53  -1.742  25.971 -34.624
  406   2HD   PRO  53          2HD       PRO  53  -0.501  25.642 -33.376
  407    H    ASP  54           H        ASP  54  -4.039  27.401 -33.725
  408    HA   ASP  54           HA       ASP  54  -5.338  29.915 -33.642
  409   1HB   ASP  54          1HB       ASP  54  -6.382  27.342 -34.873
  410   2HB   ASP  54          2HB       ASP  54  -6.591  28.992 -35.457
  411    H    VAL  55           H        VAL  55  -5.900  27.102 -31.694
  412    HA   VAL  55           HA       VAL  55  -8.800  27.774 -31.324
  413    HB   VAL  55           HB       VAL  55  -7.478  25.038 -31.193
  414   1HG1  VAL  55          1HG1      VAL  55  -9.421  25.182 -29.677
  415   2HG1  VAL  55          2HG1      VAL  55 -10.405  25.895 -30.973
  416   3HG1  VAL  55          3HG1      VAL  55  -9.831  24.217 -31.093
  417   1HG2  VAL  55          1HG2      VAL  55  -9.298  26.293 -33.296
  418   2HG2  VAL  55          2HG2      VAL  55  -7.606  25.791 -33.514
  419   3HG2  VAL  55          3HG2      VAL  55  -8.849  24.572 -33.227
  420    H    ASP  56           H        ASP  56  -9.214  28.654 -29.416
  421    HA   ASP  56           HA       ASP  56  -7.651  28.140 -27.048
  422   1HB   ASP  56          1HB       ASP  56  -8.942  30.241 -27.437
  423   2HB   ASP  56          2HB       ASP  56 -10.436  29.326 -27.203
  424    H    VAL  57           H        VAL  57  -7.806  26.513 -25.721
  425    HA   VAL  57           HA       VAL  57 -10.148  24.651 -25.715
  426    HB   VAL  57           HB       VAL  57  -8.765  22.902 -24.990
  427   1HG1  VAL  57          1HG1      VAL  57  -7.216  22.594 -26.808
  428   2HG1  VAL  57          2HG1      VAL  57  -8.640  23.452 -27.424
  429   3HG1  VAL  57          3HG1      VAL  57  -7.133  24.340 -27.118
  430   1HG2  VAL  57          1HG2      VAL  57  -6.367  24.761 -24.777
  431   2HG2  VAL  57          2HG2      VAL  57  -7.257  24.092 -23.402
  432   3HG2  VAL  57          3HG2      VAL  57  -6.391  23.025 -24.514
  433    H    ALA  58           H        ALA  58  -9.066  27.268 -23.965
  434    HA   ALA  58           HA       ALA  58  -9.231  26.273 -21.268
  435   1HB   ALA  58          1HB       ALA  58  -7.999  28.319 -21.921
  436   2HB   ALA  58          2HB       ALA  58  -9.526  29.089 -22.402
  437   3HB   ALA  58          3HB       ALA  58  -9.248  28.672 -20.705
  438    H    MET  59           H        MET  59 -10.978  25.711 -20.151
  439    HA   MET  59           HA       MET  59 -13.619  27.042 -20.666
  440   1HB   MET  59          1HB       MET  59 -12.961  24.529 -19.093
  441   2HB   MET  59          2HB       MET  59 -14.574  25.185 -19.382
  442   1HG   MET  59          1HG       MET  59 -14.465  24.712 -21.725
  443   2HG   MET  59          2HG       MET  59 -12.741  24.358 -21.670
  444   1HE   MET  59          1HE       MET  59 -12.291  22.432 -19.193
  445   2HE   MET  59          2HE       MET  59 -12.422  20.897 -20.071
  446   3HE   MET  59          3HE       MET  59 -11.614  22.290 -20.831
  447    H    LEU  60           H        LEU  60 -13.459  28.947 -19.530
  448    HA   LEU  60           HA       LEU  60 -11.798  29.334 -17.267
  449   1HB   LEU  60          1HB       LEU  60 -14.075  30.964 -18.404
  450   2HB   LEU  60          2HB       LEU  60 -13.070  31.497 -17.067
  451    HG   LEU  60           HG       LEU  60 -11.389  30.530 -19.283
  452   1HD1  LEU  60          1HD1      LEU  60 -13.201  32.901 -19.864
  453   2HD1  LEU  60          2HD1      LEU  60 -11.825  32.344 -20.850
  454   3HD1  LEU  60          3HD1      LEU  60 -13.254  31.318 -20.677
  455   1HD2  LEU  60          1HD2      LEU  60 -10.292  32.695 -18.943
  456   2HD2  LEU  60          2HD2      LEU  60 -11.619  33.211 -17.876
  457   3HD2  LEU  60          3HD2      LEU  60 -10.561  31.869 -17.395
  458    H    ILE  61           H        ILE  61 -12.025  29.231 -15.170
  459    HA   ILE  61           HA       ILE  61 -14.544  28.131 -13.977
  460    HB   ILE  61           HB       ILE  61 -11.717  28.188 -12.882
  461   1HG1  ILE  61          2HG1      ILE  61 -11.679  26.659 -14.719
  462   2HG1  ILE  61          3HG1      ILE  61 -11.665  25.744 -13.234
  463   1HG2  ILE  61          1HG2      ILE  61 -12.536  26.581 -11.185
  464   2HG2  ILE  61          2HG2      ILE  61 -13.311  28.153 -11.056
  465   3HG2  ILE  61          3HG2      ILE  61 -14.194  26.803 -11.792
  466   1HD1  ILE  61          1HD1      ILE  61 -14.145  25.300 -13.554
  467   2HD1  ILE  61          2HD1      ILE  61 -14.019  26.113 -15.133
  468   3HD1  ILE  61          3HD1      ILE  61 -13.106  24.631 -14.819
  469    H    THR  62           H        THR  62 -12.067  30.674 -13.634
  470    HA   THR  62           HA       THR  62 -13.874  32.184 -11.818
  471    HB   THR  62           HB       THR  62 -11.158  32.057 -11.784
  472    HG1  THR  62           HG1      THR  62 -12.246  32.853 -10.149
  473   1HG2  THR  62          1HG2      THR  62 -11.684  34.758 -13.059
  474   2HG2  THR  62          2HG2      THR  62 -10.153  34.099 -12.477
  475   3HG2  THR  62          3HG2      THR  62 -10.929  33.396 -13.920
  476    HA   PRO  63           HA       PRO  63 -15.747  34.434 -15.105
  477   1HB   PRO  63          1HB       PRO  63 -14.939  37.016 -13.798
  478   2HB   PRO  63          2HB       PRO  63 -16.558  36.519 -14.372
  479   1HG   PRO  63          1HG       PRO  63 -15.962  36.469 -11.730
  480   2HG   PRO  63          2HG       PRO  63 -16.860  35.099 -12.466
  481   1HD   PRO  63          1HD       PRO  63 -13.906  35.287 -11.830
  482   2HD   PRO  63          2HD       PRO  63 -15.048  33.944 -11.522
  483    H    ASN  64           H        ASN  64 -15.518  35.983 -16.793
  484    HA   ASN  64           HA       ASN  64 -13.475  36.179 -18.541
  485   1HB   ASN  64          1HB       ASN  64 -15.705  36.908 -18.964
  486   2HB   ASN  64          2HB       ASN  64 -15.637  38.104 -17.671
  487   1HD2  ASN  64          2HD2      ASN  64 -14.043  39.887 -17.982
  488   2HD2  ASN  64          1HD2      ASN  64 -14.064  40.642 -19.581
  489    HA   PRO  65           HA       PRO  65 -10.679  38.136 -15.631
  490   1HB   PRO  65          1HB       PRO  65  -8.254  37.675 -16.805
  491   2HB   PRO  65          2HB       PRO  65  -9.238  36.406 -16.007
  492   1HG   PRO  65          1HG       PRO  65  -9.122  37.072 -18.970
  493   2HG   PRO  65          2HG       PRO  65  -8.930  35.471 -18.181
  494   1HD   PRO  65          1HD       PRO  65 -11.321  36.264 -19.188
  495   2HD   PRO  65          2HD       PRO  65 -11.236  35.366 -17.637
  496    H    THR  66           H        THR  66  -9.753  40.080 -15.292
  497    HA   THR  66           HA       THR  66  -9.292  41.954 -17.546
  498    HB   THR  66           HB       THR  66 -10.395  43.716 -16.091
  499    HG1  THR  66           HG1      THR  66 -10.646  42.962 -14.131
  500   1HG2  THR  66          1HG2      THR  66 -12.671  43.183 -16.734
  501   2HG2  THR  66          2HG2      THR  66 -11.565  42.830 -18.055
  502   3HG2  THR  66          3HG2      THR  66 -12.228  41.498 -17.074
  503    H    MET  67           H        MET  67  -8.118  43.839 -16.962
  504    HA   MET  67           HA       MET  67  -6.465  43.665 -14.498
  505   1HB   MET  67          1HB       MET  67  -5.433  43.100 -17.015
  506   2HB   MET  67          2HB       MET  67  -5.070  44.819 -16.858
  507   1HG   MET  67          1HG       MET  67  -4.450  42.693 -14.766
  508   2HG   MET  67          2HG       MET  67  -3.302  43.223 -15.985
  509   1HE   MET  67          1HE       MET  67  -1.953  43.268 -13.572
  510   2HE   MET  67          2HE       MET  67  -2.138  44.593 -12.398
  511   3HE   MET  67          3HE       MET  67  -3.358  43.305 -12.483
  512    H    GLU  68           H        GLU  68  -7.016  45.387 -13.251
  513    HA   GLU  68           HA       GLU  68  -8.162  47.771 -14.624
  514   1HB   GLU  68          1HB       GLU  68  -8.897  46.753 -11.864
  515   2HB   GLU  68          2HB       GLU  68  -9.638  48.031 -12.779
  516   1HG   GLU  68          1HG       GLU  68 -11.190  46.596 -13.426
  517   2HG   GLU  68          2HG       GLU  68  -9.996  45.843 -14.466
  518    H    ASN  69           H        ASN  69  -8.129  49.751 -13.168
  519    HA   ASN  69           HA       ASN  69  -5.566  50.082 -11.722
  520   1HB   ASN  69          1HB       ASN  69  -6.264  52.438 -11.604
  521   2HB   ASN  69          2HB       ASN  69  -6.212  51.844 -13.263
  522   1HD2  ASN  69          2HD2      ASN  69  -7.560  54.100 -13.120
  523   2HD2  ASN  69          1HD2      ASN  69  -9.293  53.773 -13.113
  524    H    ASN  70           H        ASN  70  -8.546  48.851 -11.071
  525    HA   ASN  70           HA       ASN  70  -8.466  49.478  -8.162
  526   1HB   ASN  70          1HB       ASN  70 -10.880  49.747  -8.171
  527   2HB   ASN  70          2HB       ASN  70 -10.133  50.890  -9.275
  528   1HD2  ASN  70          1HD2      ASN  70 -10.439  50.574 -11.661
  529   2HD2  ASN  70          2HD2      ASN  70 -11.806  49.545 -12.114
  530    H    GLY  71           H        GLY  71  -7.514  47.093  -9.787
  531   1HA   GLY  71          1HA       GLY  71  -7.757  44.936  -8.248
  532   2HA   GLY  71          2HA       GLY  71  -9.346  44.918  -9.032
  533    H    GLY  72           H        GLY  72  -8.444  42.777  -9.746
  534   1HA   GLY  72          1HA       GLY  72  -8.434  41.781 -11.903
  535   2HA   GLY  72          2HA       GLY  72  -7.577  43.166 -12.547
  536    H    GLY  73           H        GLY  73  -6.598  41.184 -13.558
  537   1HA   GLY  73          1HA       GLY  73  -4.421  40.469 -14.023
  538   2HA   GLY  73          2HA       GLY  73  -3.920  40.852 -12.386
  539    H    PHE  74           H        PHE  74  -6.649  38.866 -12.109
  540    HA   PHE  74           HA       PHE  74  -4.983  36.385 -11.956
  541   1HB   PHE  74          1HB       PHE  74  -5.545  37.225  -9.716
  542   2HB   PHE  74          2HB       PHE  74  -7.256  37.262 -10.139
  543    HD1  PHE  74           HD1      PHE  74  -4.326  34.978  -9.623
  544    HD2  PHE  74           HD2      PHE  74  -8.613  35.247 -10.080
  545    HE1  PHE  74           HE1      PHE  74  -4.537  32.575  -9.091
  546    HE2  PHE  74           HE2      PHE  74  -8.809  32.831  -9.548
  547    HZ   PHE  74           HZ       PHE  74  -6.782  31.498  -9.052
  548    H    ILE  75           H        ILE  75  -5.886  34.418 -12.460
  549    HA   ILE  75           HA       ILE  75  -8.394  34.316 -14.052
  550    HB   ILE  75           HB       ILE  75  -5.653  33.475 -14.962
  551   1HG1  ILE  75          2HG1      ILE  75  -7.023  36.060 -15.636
  552   2HG1  ILE  75          3HG1      ILE  75  -5.436  35.806 -14.930
  553   1HG2  ILE  75          1HG2      ILE  75  -8.160  33.716 -16.653
  554   2HG2  ILE  75          2HG2      ILE  75  -6.573  33.055 -17.127
  555   3HG2  ILE  75          3HG2      ILE  75  -7.539  32.191 -15.977
  556   1HD1  ILE  75          1HD1      ILE  75  -6.228  35.385 -17.807
  557   2HD1  ILE  75          2HD1      ILE  75  -5.043  36.505 -17.112
  558   3HD1  ILE  75          3HD1      ILE  75  -4.700  34.769 -17.116
  559    H    GLU  76           H        GLU  76  -9.279  32.210 -14.070
  560    HA   GLU  76           HA       GLU  76  -7.565  29.905 -13.501
  561   1HB   GLU  76          1HB       GLU  76  -8.689  30.502 -11.315
  562   2HB   GLU  76          2HB       GLU  76 -10.242  30.200 -12.115
  563   1HG   GLU  76          1HG       GLU  76  -9.520  27.860 -12.610
  564   2HG   GLU  76          2HG       GLU  76  -8.011  28.157 -11.776
  565    H    MET  77           H        MET  77  -8.006  28.247 -14.844
  566    HA   MET  77           HA       MET  77 -10.596  27.996 -16.261
  567   1HB   MET  77          1HB       MET  77  -9.331  27.738 -18.428
  568   2HB   MET  77          2HB       MET  77  -9.329  29.381 -17.781
  569   1HG   MET  77          1HG       MET  77  -7.067  29.150 -16.955
  570   2HG   MET  77          2HG       MET  77  -7.068  27.425 -17.276
  571   1HE   MET  77          1HE       MET  77  -6.554  31.008 -18.721
  572   2HE   MET  77          2HE       MET  77  -6.640  30.725 -20.476
  573   3HE   MET  77          3HE       MET  77  -8.106  30.584 -19.486
  574    H    GLN  78           H        GLN  78 -10.778  25.884 -17.430
  575    HA   GLN  78           HA       GLN  78  -8.821  23.823 -16.506
  576   1HB   GLN  78          1HB       GLN  78 -10.933  23.686 -15.255
  577   2HB   GLN  78          2HB       GLN  78 -11.831  23.457 -16.765
  578   1HG   GLN  78          1HG       GLN  78 -10.799  21.314 -17.142
  579   2HG   GLN  78          2HG       GLN  78  -9.542  21.622 -15.932
  580   1HE2  GLN  78          2HE2      GLN  78  -9.855  20.702 -13.907
  581   2HE2  GLN  78          1HE2      GLN  78 -11.471  20.204 -13.362
  582    H    LEU  79           H        LEU  79  -8.504  22.041 -17.921
  583    HA   LEU  79           HA       LEU  79  -8.742  22.740 -20.804
  584   1HB   LEU  79          1HB       LEU  79  -6.266  22.458 -19.030
  585   2HB   LEU  79          2HB       LEU  79  -6.194  22.280 -20.762
  586    HG   LEU  79           HG       LEU  79  -7.143  24.667 -20.950
  587   1HD1  LEU  79          1HD1      LEU  79  -7.798  25.585 -18.959
  588   2HD1  LEU  79          2HD1      LEU  79  -6.808  24.477 -17.979
  589   3HD1  LEU  79          3HD1      LEU  79  -6.084  25.898 -18.728
  590   1HD2  LEU  79          1HD2      LEU  79  -4.862  24.037 -21.457
  591   2HD2  LEU  79          2HD2      LEU  79  -4.851  25.563 -20.564
  592   3HD2  LEU  79          3HD2      LEU  79  -4.429  24.055 -19.728
  593    HA   PRO  80           HA       PRO  80  -8.566  18.273 -21.389
  594   1HB   PRO  80          1HB       PRO  80  -7.254  18.024 -23.776
  595   2HB   PRO  80          2HB       PRO  80  -8.932  18.627 -23.623
  596   1HG   PRO  80          1HG       PRO  80  -6.385  20.254 -23.871
  597   2HG   PRO  80          2HG       PRO  80  -7.916  20.449 -24.779
  598   1HD   PRO  80          1HD       PRO  80  -7.329  21.953 -22.594
  599   2HD   PRO  80          2HD       PRO  80  -9.001  21.422 -22.921
  600    HA   PRO  81           HA       PRO  81  -4.496  17.246 -19.548
  601   1HB   PRO  81          1HB       PRO  81  -5.643  14.520 -20.133
  602   2HB   PRO  81          2HB       PRO  81  -4.725  15.080 -18.694
  603   1HG   PRO  81          1HG       PRO  81  -7.414  14.909 -18.551
  604   2HG   PRO  81          2HG       PRO  81  -6.593  16.378 -17.926
  605   1HD   PRO  81          1HD       PRO  81  -7.954  16.009 -20.604
  606   2HD   PRO  81          2HD       PRO  81  -8.105  17.353 -19.429
  607    H    GLY  82           H        GLY  82  -2.603  17.120 -20.500
  608   1HA   GLY  82          1HA       GLY  82  -1.424  15.997 -22.639
  609   2HA   GLY  82          2HA       GLY  82  -2.666  16.985 -23.435
  610    H    ASP  83           H        ASP  83  -0.689  18.073 -24.357
  611    HA   ASP  83           HA       ASP  83   0.542  20.044 -22.484
  612   1HB   ASP  83          1HB       ASP  83   2.142  18.652 -23.648
  613   2HB   ASP  83          2HB       ASP  83   1.423  19.045 -25.209
  614    H    ASN  84           H        ASN  84  -0.102  22.065 -22.530
  615    HA   ASN  84           HA       ASN  84  -1.589  23.146 -24.884
  616   1HB   ASN  84          1HB       ASN  84  -2.374  23.401 -21.951
  617   2HB   ASN  84          2HB       ASN  84  -3.200  24.136 -23.327
  618   1HD2  ASN  84          2HD2      ASN  84  -2.976  21.297 -21.363
  619   2HD2  ASN  84          1HD2      ASN  84  -4.221  20.393 -22.231
  620    H    ILE  85           H        ILE  85  -0.654  24.974 -25.590
  621    HA   ILE  85           HA       ILE  85   1.234  26.488 -23.882
  622    HB   ILE  85           HB       ILE  85   0.343  26.913 -26.756
  623   1HG1  ILE  85          2HG1      ILE  85   3.082  26.367 -26.737
  624   2HG1  ILE  85          3HG1      ILE  85   2.495  25.288 -25.483
  625   1HG2  ILE  85          1HG2      ILE  85   0.955  29.050 -25.761
  626   2HG2  ILE  85          2HG2      ILE  85   2.461  28.352 -25.106
  627   3HG2  ILE  85          3HG2      ILE  85   2.223  28.524 -26.862
  628   1HD1  ILE  85          1HD1      ILE  85   2.511  24.170 -27.663
  629   2HD1  ILE  85          2HD1      ILE  85   0.831  24.350 -27.125
  630   3HD1  ILE  85          3HD1      ILE  85   1.492  25.444 -28.363
  631    H    ILE  86           H        ILE  86   0.390  27.796 -22.399
  632    HA   ILE  86           HA       ILE  86  -2.308  28.958 -22.844
  633    HB   ILE  86           HB       ILE  86  -0.667  28.771 -20.319
  634   1HG1  ILE  86          2HG1      ILE  86  -2.966  27.120 -21.437
  635   2HG1  ILE  86          3HG1      ILE  86  -1.343  26.574 -21.053
  636   1HG2  ILE  86          1HG2      ILE  86  -2.233  30.726 -20.335
  637   2HG2  ILE  86          2HG2      ILE  86  -3.568  29.645 -20.794
  638   3HG2  ILE  86          3HG2      ILE  86  -2.772  29.491 -19.217
  639   1HD1  ILE  86          1HD1      ILE  86  -3.494  27.357 -19.064
  640   2HD1  ILE  86          2HD1      ILE  86  -2.791  25.766 -19.357
  641   3HD1  ILE  86          3HD1      ILE  86  -1.789  27.027 -18.638
  642    H    TYR  87           H        TYR  87  -2.682  30.987 -23.120
  643    HA   TYR  87           HA       TYR  87  -0.381  32.829 -23.585
  644   1HB   TYR  87          1HB       TYR  87  -2.973  32.163 -24.913
  645   2HB   TYR  87          2HB       TYR  87  -2.476  33.835 -24.987
  646    HD1  TYR  87           HD1      TYR  87  -0.028  34.297 -25.667
  647    HD2  TYR  87           HD2      TYR  87  -2.235  30.748 -26.729
  648    HE1  TYR  87           HE1      TYR  87   1.322  34.039 -27.712
  649    HE2  TYR  87           HE2      TYR  87  -0.953  30.605 -28.878
  650    HH   TYR  87           HH       TYR  87   1.167  33.328 -29.868
  651    H    VAL  88           H        VAL  88  -0.431  34.824 -22.864
  652    HA   VAL  88           HA       VAL  88  -3.002  36.123 -22.254
  653    HB   VAL  88           HB       VAL  88  -0.572  36.217 -20.438
  654   1HG1  VAL  88          1HG1      VAL  88  -0.879  38.463 -20.698
  655   2HG1  VAL  88          2HG1      VAL  88  -2.621  38.358 -21.007
  656   3HG1  VAL  88          3HG1      VAL  88  -1.992  38.170 -19.361
  657   1HG2  VAL  88          1HG2      VAL  88  -2.426  34.641 -19.862
  658   2HG2  VAL  88          2HG2      VAL  88  -2.259  35.935 -18.677
  659   3HG2  VAL  88          3HG2      VAL  88  -3.565  36.003 -19.880
  660    H    GLY  89           H        GLY  89  -3.025  36.905 -24.304
  661   1HA   GLY  89          1HA       GLY  89  -2.564  38.601 -25.865
  662   2HA   GLY  89          2HA       GLY  89  -1.048  38.982 -25.029
  663    H    GLU  90           H        GLU  90   0.656  38.657 -26.400
  664    HA   GLU  90           HA       GLU  90   0.774  35.961 -27.652
  665   1HB   GLU  90          1HB       GLU  90   2.162  38.480 -28.483
  666   2HB   GLU  90          2HB       GLU  90   3.029  36.967 -28.649
  667   1HG   GLU  90          1HG       GLU  90   0.506  37.781 -30.048
  668   2HG   GLU  90          2HG       GLU  90   2.053  37.351 -30.740
  669    H    LEU  91           H        LEU  91   1.693  37.593 -24.850
  670    HA   LEU  91           HA       LEU  91   4.132  36.111 -24.308
  671   1HB   LEU  91          1HB       LEU  91   3.418  38.212 -23.067
  672   2HB   LEU  91          2HB       LEU  91   2.096  37.274 -22.370
  673    HG   LEU  91           HG       LEU  91   3.913  35.646 -21.497
  674   1HD1  LEU  91          1HD1      LEU  91   6.135  36.642 -21.130
  675   2HD1  LEU  91          2HD1      LEU  91   5.809  36.506 -22.862
  676   3HD1  LEU  91          3HD1      LEU  91   5.663  38.082 -22.056
  677   1HD2  LEU  91          1HD2      LEU  91   2.643  37.152 -20.045
  678   2HD2  LEU  91          2HD2      LEU  91   4.332  37.049 -19.527
  679   3HD2  LEU  91          3HD2      LEU  91   3.769  38.478 -20.424
  680    H    LYS  92           H        LYS  92   4.268  34.000 -23.731
  681    HA   LYS  92           HA       LYS  92   1.798  32.506 -23.076
  682   1HB   LYS  92          1HB       LYS  92   2.218  30.871 -24.821
  683   2HB   LYS  92          2HB       LYS  92   1.987  32.486 -25.455
  684   1HG   LYS  92          1HG       LYS  92   4.484  32.719 -25.711
  685   2HG   LYS  92          2HG       LYS  92   4.629  31.019 -25.259
  686   1HD   LYS  92          1HD       LYS  92   4.027  30.308 -27.303
  687   2HD   LYS  92          2HD       LYS  92   2.633  31.362 -27.407
  688   1HE   LYS  92          HE2       LYS  92   5.479  32.333 -27.869
  689   2HE   LYS  92          HE3       LYS  92   4.494  31.640 -29.159
  690   1HZ   LYS  92          HZ1       LYS  92   3.665  34.056 -27.618
  691   2HZ   LYS  92          HZ2       LYS  92   4.416  34.092 -29.071
  692   3HZ   LYS  92          HZ3       LYS  92   2.936  33.460 -28.968
  693    H    HIS  93           H        HIS  93   2.172  30.266 -22.504
  694    HA   HIS  93           HA       HIS  93   4.798  29.493 -21.378
  695   1HB   HIS  93          1HB       HIS  93   3.789  30.880 -19.631
  696   2HB   HIS  93          2HB       HIS  93   2.276  29.986 -19.750
  697    HD1  HIS  93           HD1      HIS  93   2.175  27.675 -18.406
  698    HD2  HIS  93           HD2      HIS  93   5.920  29.602 -18.471
  699    HE1  HIS  93           HE1      HIS  93   3.615  26.534 -16.634
  700    H    GLN  94           H        GLN  94   5.069  27.345 -21.728
  701    HA   GLN  94           HA       GLN  94   2.939  25.666 -22.765
  702   1HB   GLN  94          1HB       GLN  94   5.289  25.651 -23.555
  703   2HB   GLN  94          2HB       GLN  94   5.813  25.025 -21.984
  704   1HG   GLN  94          1HG       GLN  94   4.531  22.968 -22.337
  705   2HG   GLN  94          2HG       GLN  94   3.797  23.648 -23.803
  706   1HE2  GLN  94          2HE2      GLN  94   4.621  21.702 -25.005
  707   2HE2  GLN  94          1HE2      GLN  94   6.349  21.780 -25.441
  708    H    TRP  95           H        TRP  95   1.443  24.671 -21.497
  709    HA   TRP  95           HA       TRP  95   2.191  23.850 -18.731
  710   1HB   TRP  95          1HB       TRP  95   0.626  25.650 -18.641
  711   2HB   TRP  95          2HB       TRP  95  -0.393  24.896 -19.869
  712    HD1  TRP  95           HD1      TRP  95  -2.314  23.527 -19.076
  713    HE1  TRP  95           HE1      TRP  95  -3.061  22.347 -16.877
  714    HE3  TRP  95           HE3      TRP  95   1.831  24.413 -16.196
  715    HZ2  TRP  95           HZ2      TRP  95  -1.902  21.637 -14.411
  716    HZ3  TRP  95           HZ3      TRP  95   2.040  23.335 -13.973
  717    HH2  TRP  95           HH2      TRP  95   0.204  21.911 -13.085
  718    H    PHE  96           H        PHE  96   2.505  21.798 -18.611
  719    HA   PHE  96           HA       PHE  96   1.125  19.748 -20.148
  720   1HB   PHE  96          1HB       PHE  96   2.844  19.486 -17.655
  721   2HB   PHE  96          2HB       PHE  96   2.434  18.218 -18.803
  722    HD1  PHE  96           HD1      PHE  96   3.105  18.868 -21.379
  723    HD2  PHE  96           HD2      PHE  96   4.971  20.459 -17.830
  724    HE1  PHE  96           HE1      PHE  96   5.113  19.477 -22.702
  725    HE2  PHE  96           HE2      PHE  96   6.976  21.057 -19.157
  726    HZ   PHE  96           HZ       PHE  96   7.053  20.568 -21.594
  727    H    GLN  97           H        GLN  97  -1.028  19.661 -19.789
  728    HA   GLN  97           HA       GLN  97  -2.213  20.291 -17.201
  729   1HB   GLN  97          1HB       GLN  97  -3.297  21.090 -19.207
  730   2HB   GLN  97          2HB       GLN  97  -3.345  19.469 -19.891
  731   1HG   GLN  97          1HG       GLN  97  -5.544  20.161 -19.179
  732   2HG   GLN  97          2HG       GLN  97  -5.027  18.769 -18.245
  733   1HE2  GLN  97          2HE2      GLN  97  -7.092  19.833 -17.151
  734   2HE2  GLN  97          1HE2      GLN  97  -6.554  20.659 -15.681
  735    H    LYS  98           H        LYS  98  -2.737  19.031 -15.689
  736    HA   LYS  98           HA       LYS  98  -3.278  16.125 -16.066
  737   1HB   LYS  98          1HB       LYS  98  -1.538  16.168 -14.503
  738   2HB   LYS  98          2HB       LYS  98  -2.037  17.711 -13.827
  739   1HG   LYS  98          1HG       LYS  98  -2.361  16.046 -12.170
  740   2HG   LYS  98          2HG       LYS  98  -3.911  16.673 -12.671
  741   1HD   LYS  98          1HD       LYS  98  -4.122  14.531 -14.147
  742   2HD   LYS  98          2HD       LYS  98  -2.674  13.971 -13.312
  743   1HE   LYS  98          HE2       LYS  98  -4.507  13.028 -12.124
  744   2HE   LYS  98          HE3       LYS  98  -3.917  14.358 -11.112
  745   1HZ   LYS  98          HZ1       LYS  98  -6.362  14.424 -11.303
  746   2HZ   LYS  98          HZ2       LYS  98  -5.742  15.735 -11.984
  747   3HZ   LYS  98          HZ3       LYS  98  -6.271  14.490 -12.944
  748    H    GLY  99           H        GLY  99  -5.286  15.508 -15.707
  749   1HA   GLY  99          1HA       GLY  99  -7.221  16.772 -14.026
  750   2HA   GLY  99          2HA       GLY  99  -7.609  17.010 -15.741
  Start of MODEL    5
    1   1H    ILE   1           H1       ILE   1 -12.679  46.248  -6.274
    2   2H    ILE   1           H2       ILE   1 -11.089  46.629  -6.663
    3   3H    ILE   1           H3       ILE   1 -12.299  47.067  -7.667
    4    HA   ILE   1           HA       ILE   1 -11.101  45.230  -8.540
    5    HB   ILE   1           HB       ILE   1 -12.243  43.648  -6.199
    6   1HG1  ILE   1          2HG1      ILE   1  -9.317  44.423  -6.619
    7   2HG1  ILE   1          3HG1      ILE   1 -10.385  45.159  -5.426
    8   1HG2  ILE   1          1HG2      ILE   1 -10.883  41.808  -7.131
    9   2HG2  ILE   1          2HG2      ILE   1 -11.982  42.407  -8.357
   10   3HG2  ILE   1          3HG2      ILE   1 -10.267  42.874  -8.407
   11   1HD1  ILE   1          1HD1      ILE   1  -9.046  43.550  -4.295
   12   2HD1  ILE   1          2HD1      ILE   1 -10.710  42.935  -4.345
   13   3HD1  ILE   1          3HD1      ILE   1  -9.470  42.269  -5.439
   14    H    SER   2           H        SER   2 -12.364  44.697 -10.337
   15    HA   SER   2           HA       SER   2 -15.086  43.698  -9.814
   16   1HB   SER   2          1HB       SER   2 -16.156  45.158 -11.219
   17   2HB   SER   2          2HB       SER   2 -14.978  46.226 -10.464
   18    HG   SER   2           HG       SER   2 -13.574  45.667 -12.446
   19    H    LYS   3           H        LYS   3 -15.892  43.136 -12.304
   20    HA   LYS   3           HA       LYS   3 -13.745  41.886 -13.872
   21   1HB   LYS   3          1HB       LYS   3 -16.096  40.337 -12.750
   22   2HB   LYS   3          2HB       LYS   3 -15.427  39.898 -14.321
   23   1HG   LYS   3          1HG       LYS   3 -13.744  40.081 -11.798
   24   2HG   LYS   3          2HG       LYS   3 -14.504  38.604 -12.356
   25   1HD   LYS   3          1HD       LYS   3 -13.010  38.236 -14.010
   26   2HD   LYS   3          2HD       LYS   3 -12.910  39.920 -14.499
   27   1HE   LYS   3          HE2       LYS   3 -11.613  38.863 -11.959
   28   2HE   LYS   3          HE3       LYS   3 -10.792  38.873 -13.524
   29   1HZ   LYS   3          HZ1       LYS   3 -11.098  41.277 -13.629
   30   2HZ   LYS   3          HZ2       LYS   3 -11.887  41.307 -12.201
   31   3HZ   LYS   3          HZ3       LYS   3 -10.295  40.882 -12.242
   32    H    GLY   4           H        GLY   4 -13.968  43.664 -15.121
   33   1HA   GLY   4          1HA       GLY   4 -16.341  44.592 -16.380
   34   2HA   GLY   4          2HA       GLY   4 -14.705  44.815 -16.973
   35    H    LEU   5           H        LEU   5 -17.371  42.549 -17.013
   36    HA   LEU   5           HA       LEU   5 -16.681  40.852 -19.107
   37   1HB   LEU   5          1HB       LEU   5 -19.488  41.948 -18.845
   38   2HB   LEU   5          2HB       LEU   5 -18.985  40.339 -19.340
   39    HG   LEU   5           HG       LEU   5 -18.892  41.498 -16.523
   40   1HD1  LEU   5          1HD1      LEU   5 -20.612  39.300 -17.737
   41   2HD1  LEU   5          2HD1      LEU   5 -20.640  39.850 -16.046
   42   3HD1  LEU   5          3HD1      LEU   5 -21.146  40.948 -17.340
   43   1HD2  LEU   5          1HD2      LEU   5 -17.022  39.873 -16.863
   44   2HD2  LEU   5          2HD2      LEU   5 -18.246  39.283 -15.739
   45   3HD2  LEU   5          3HD2      LEU   5 -18.206  38.656 -17.404
   46    H    THR   6           H        THR   6 -17.285  44.220 -19.433
   47    HA   THR   6           HA       THR   6 -17.982  44.197 -22.296
   48    HB   THR   6           HB       THR   6 -18.371  46.668 -21.741
   49    HG1  THR   6           HG1      THR   6 -18.590  47.036 -19.483
   50   1HG2  THR   6          1HG2      THR   6 -19.958  44.599 -20.160
   51   2HG2  THR   6          2HG2      THR   6 -20.481  46.255 -20.536
   52   3HG2  THR   6          3HG2      THR   6 -20.244  45.087 -21.845
   53    H    TYR   7           H        TYR   7 -15.083  44.771 -20.375
   54    HA   TYR   7           HA       TYR   7 -14.165  47.028 -21.904
   55   1HB   TYR   7          1HB       TYR   7 -12.471  45.094 -20.301
   56   2HB   TYR   7          2HB       TYR   7 -12.053  46.740 -20.758
   57    HD1  TYR   7           HD1      TYR   7 -15.077  47.769 -19.958
   58    HD2  TYR   7           HD2      TYR   7 -11.895  45.603 -17.989
   59    HE1  TYR   7           HE1      TYR   7 -15.938  48.489 -17.754
   60    HE2  TYR   7           HE2      TYR   7 -12.737  46.397 -15.791
   61    HH   TYR   7           HH       TYR   7 -14.604  47.289 -14.693
   62    H    THR   8           H        THR   8 -12.299  47.215 -23.346
   63    HA   THR   8           HA       THR   8 -12.214  45.111 -25.369
   64    HB   THR   8           HB       THR   8 -10.653  46.761 -26.493
   65    HG1  THR   8           HG1      THR   8 -10.628  48.833 -25.586
   66   1HG2  THR   8          1HG2      THR   8 -13.352  47.904 -25.663
   67   2HG2  THR   8          2HG2      THR   8 -12.406  48.335 -27.102
   68   3HG2  THR   8          3HG2      THR   8 -13.101  46.713 -26.956
   69    H    MET   9           H        MET   9 -10.037  44.544 -26.314
   70    HA   MET   9           HA       MET   9  -8.713  42.985 -24.328
   71   1HB   MET   9          1HB       MET   9  -8.128  43.485 -27.273
   72   2HB   MET   9          2HB       MET   9  -7.257  42.307 -26.285
   73   1HG   MET   9          1HG       MET   9 -10.261  42.277 -26.780
   74   2HG   MET   9          2HG       MET   9  -9.071  41.280 -27.612
   75   1HE   MET   9          1HE       MET   9 -10.330  39.092 -27.113
   76   2HE   MET   9          2HE       MET   9 -10.869  38.579 -25.498
   77   3HE   MET   9          3HE       MET   9 -11.619  39.993 -26.276
   78    H    CYS  10           H        CYS  10  -6.827  43.152 -23.304
   79    HA   CYS  10           HA       CYS  10  -5.242  45.551 -23.230
   80   1HB   CYS  10          1HB       CYS  10  -4.431  42.725 -22.543
   81   2HB   CYS  10          2HB       CYS  10  -3.672  44.165 -21.946
   82    H    ASP  11           H        ASP  11  -2.999  45.792 -23.889
   83    HA   ASP  11           HA       ASP  11  -2.258  44.980 -26.516
   84   1HB   ASP  11          1HB       ASP  11  -1.435  47.014 -25.408
   85   2HB   ASP  11          2HB       ASP  11  -0.545  46.039 -24.243
   86    H    LYS  12           H        LYS  12  -1.793  43.044 -27.136
   87    HA   LYS  12           HA       LYS  12  -1.308  40.814 -25.538
   88   1HB   LYS  12          1HB       LYS  12  -0.695  41.218 -28.504
   89   2HB   LYS  12          2HB       LYS  12  -0.769  39.663 -27.689
   90   1HG   LYS  12          1HG       LYS  12  -3.185  40.575 -26.936
   91   2HG   LYS  12          2HG       LYS  12  -3.021  41.532 -28.403
   92   1HD   LYS  12          1HD       LYS  12  -2.747  38.492 -28.234
   93   2HD   LYS  12          2HD       LYS  12  -4.236  39.336 -28.663
   94   1HE   LYS  12          HE2       LYS  12  -3.324  40.184 -30.691
   95   2HE   LYS  12          HE3       LYS  12  -1.665  39.762 -30.222
   96   1HZ   LYS  12          HZ1       LYS  12  -2.042  37.530 -30.517
   97   2HZ   LYS  12          HZ2       LYS  12  -3.697  37.656 -30.555
   98   3HZ   LYS  12          HZ3       LYS  12  -2.765  38.188 -31.816
   99    H    ALA  13           H        ALA  13   1.078  43.174 -26.185
  100    HA   ALA  13           HA       ALA  13   3.269  41.218 -25.581
  101   1HB   ALA  13          1HB       ALA  13   4.707  42.710 -26.888
  102   2HB   ALA  13          2HB       ALA  13   3.325  42.151 -27.854
  103   3HB   ALA  13          3HB       ALA  13   3.334  43.799 -27.184
  104    H    LYS  14           H        LYS  14   1.566  43.733 -24.062
  105    HA   LYS  14           HA       LYS  14   3.984  44.776 -22.631
  106   1HB   LYS  14          1HB       LYS  14   1.125  45.751 -22.552
  107   2HB   LYS  14          2HB       LYS  14   2.481  46.545 -21.773
  108   1HG   LYS  14          1HG       LYS  14   2.504  46.065 -24.758
  109   2HG   LYS  14          2HG       LYS  14   1.569  47.389 -24.048
  110   1HD   LYS  14          1HD       LYS  14   3.515  48.477 -23.236
  111   2HD   LYS  14          2HD       LYS  14   4.534  47.059 -23.536
  112   1HE   LYS  14          HE2       LYS  14   4.816  48.870 -25.247
  113   2HE   LYS  14          HE3       LYS  14   4.374  47.293 -25.910
  114   1HZ   LYS  14          HZ1       LYS  14   2.110  48.035 -26.194
  115   2HZ   LYS  14          HZ2       LYS  14   2.417  49.468 -25.455
  116   3HZ   LYS  14          HZ3       LYS  14   3.100  49.114 -26.915
  117    H    PHE  15           H        PHE  15   2.522  42.116 -22.135
  118    HA   PHE  15           HA       PHE  15   1.762  42.312 -19.280
  119   1HB   PHE  15          1HB       PHE  15   1.690  40.118 -21.385
  120   2HB   PHE  15          2HB       PHE  15   1.409  39.778 -19.687
  121    HD1  PHE  15           HD1      PHE  15  -0.371  41.077 -18.415
  122    HD2  PHE  15           HD2      PHE  15  -0.161  40.858 -22.722
  123    HE1  PHE  15           HE1      PHE  15  -2.816  41.516 -18.558
  124    HE2  PHE  15           HE2      PHE  15  -2.577  41.313 -22.863
  125    HZ   PHE  15           HZ       PHE  15  -3.920  41.564 -20.750
  126    H    THR  16           H        THR  16   2.588  40.990 -17.688
  127    HA   THR  16           HA       THR  16   5.078  39.454 -18.141
  128    HB   THR  16           HB       THR  16   5.969  40.266 -15.971
  129    HG1  THR  16           HG1      THR  16   3.702  41.952 -16.134
  130   1HG2  THR  16          1HG2      THR  16   6.836  42.389 -16.713
  131   2HG2  THR  16          2HG2      THR  16   6.736  41.305 -18.114
  132   3HG2  THR  16          3HG2      THR  16   5.525  42.587 -17.891
  133    H    TRP  17           H        TRP  17   5.113  37.542 -17.012
  134    HA   TRP  17           HA       TRP  17   2.707  36.552 -15.757
  135   1HB   TRP  17          1HB       TRP  17   5.496  35.425 -16.120
  136   2HB   TRP  17          2HB       TRP  17   4.233  34.580 -15.244
  137    HD1  TRP  17           HD1      TRP  17   5.735  34.332 -18.410
  138    HE1  TRP  17           HE1      TRP  17   4.198  33.244 -20.179
  139    HE3  TRP  17           HE3      TRP  17   1.222  34.883 -16.022
  140    HZ2  TRP  17           HZ2      TRP  17   1.377  32.785 -20.535
  141    HZ3  TRP  17           HZ3      TRP  17  -0.855  34.139 -17.119
  142    HH2  TRP  17           HH2      TRP  17  -0.793  33.054 -19.354
  143    H    LYS  18           H        LYS  18   2.121  37.464 -13.907
  144    HA   LYS  18           HA       LYS  18   3.933  38.059 -11.658
  145   1HB   LYS  18          1HB       LYS  18   1.673  39.230 -12.268
  146   2HB   LYS  18          2HB       LYS  18   0.907  37.808 -11.552
  147   1HG   LYS  18          1HG       LYS  18   2.523  38.418  -9.506
  148   2HG   LYS  18          2HG       LYS  18   2.529  40.008 -10.271
  149   1HD   LYS  18          1HD       LYS  18   0.169  38.427  -9.210
  150   2HD   LYS  18          2HD       LYS  18   0.818  39.921  -8.545
  151   1HE   LYS  18          HE2       LYS  18   0.062  41.160 -10.578
  152   2HE   LYS  18          HE3       LYS  18  -0.550  39.649 -11.257
  153   1HZ   LYS  18          HZ1       LYS  18  -2.385  40.705 -10.245
  154   2HZ   LYS  18          HZ2       LYS  18  -1.976  39.471  -9.223
  155   3HZ   LYS  18          HZ3       LYS  18  -1.572  41.003  -8.838
  156    H    ARG  19           H        ARG  19   1.699  35.563 -12.692
  157    HA   ARG  19           HA       ARG  19   3.183  33.512 -11.182
  158   1HB   ARG  19          1HB       ARG  19   1.073  34.287  -9.846
  159   2HB   ARG  19          2HB       ARG  19   0.146  33.470 -11.109
  160   1HG   ARG  19          1HG       ARG  19   1.680  31.409 -10.571
  161   2HG   ARG  19          2HG       ARG  19   2.081  32.302  -9.099
  162   1HD   ARG  19          1HD       ARG  19  -0.568  31.146  -9.993
  163   2HD   ARG  19          2HD       ARG  19   0.319  30.858  -8.490
  164    HE   ARG  19           HE       ARG  19  -0.572  33.637  -8.743
  165   1HH1  ARG  19          1HH1      ARG  19  -1.729  30.485  -7.777
  166   2HH1  ARG  19          2HH1      ARG  19  -3.084  31.150  -6.898
  167   1HH2  ARG  19          1HH2      ARG  19  -2.292  34.449  -7.753
  168   2HH2  ARG  19          2HH2      ARG  19  -3.392  33.407  -6.863
  169    H    ALA  20           H        ALA  20   3.911  32.365 -12.969
  170    HA   ALA  20           HA       ALA  20   2.517  32.310 -15.451
  171   1HB   ALA  20          1HB       ALA  20   4.671  30.434 -14.400
  172   2HB   ALA  20          2HB       ALA  20   4.170  30.609 -16.093
  173   3HB   ALA  20          3HB       ALA  20   4.941  31.969 -15.265
  174    HA   PRO  21           HA       PRO  21  -0.697  29.353 -15.030
  175   1HB   PRO  21          1HB       PRO  21   0.423  27.994 -17.479
  176   2HB   PRO  21          2HB       PRO  21  -1.274  28.421 -17.080
  177   1HG   PRO  21          1HG       PRO  21   0.201  30.034 -18.711
  178   2HG   PRO  21          2HG       PRO  21  -0.884  30.723 -17.485
  179   1HD   PRO  21          1HD       PRO  21   2.104  30.447 -17.394
  180   2HD   PRO  21          2HD       PRO  21   1.047  31.746 -16.794
  181    H    THR  22           H        THR  22  -0.898  28.002 -13.509
  182    HA   THR  22           HA       THR  22   0.716  25.512 -13.326
  183    HB   THR  22           HB       THR  22   1.842  27.077 -11.876
  184    HG1  THR  22           HG1      THR  22   0.152  25.611 -10.154
  185   1HG2  THR  22          1HG2      THR  22  -0.810  27.575 -10.469
  186   2HG2  THR  22          2HG2      THR  22   0.780  28.188  -9.974
  187   3HG2  THR  22          3HG2      THR  22   0.053  28.759 -11.482
  188    H    ASP  23           H        ASP  23  -0.283  23.921 -11.868
  189    HA   ASP  23           HA       ASP  23  -3.148  23.730 -12.022
  190   1HB   ASP  23          1HB       ASP  23  -1.322  21.870 -11.631
  191   2HB   ASP  23          2HB       ASP  23  -1.487  22.291  -9.939
  192    H    SER  24           H        SER  24  -4.672  24.051 -10.408
  193    HA   SER  24           HA       SER  24  -4.251  26.023  -8.293
  194   1HB   SER  24          1HB       SER  24  -6.688  25.594  -7.950
  195   2HB   SER  24          2HB       SER  24  -6.304  25.903  -9.653
  196    HG   SER  24           HG       SER  24  -7.467  24.150  -9.808
  197    H    GLY  25           H        GLY  25  -3.730  22.650  -8.437
  198   1HA   GLY  25          1HA       GLY  25  -3.243  21.147  -6.669
  199   2HA   GLY  25          2HA       GLY  25  -4.031  22.217  -5.504
  200    H    HIS  26           H        HIS  26  -5.910  22.119  -8.292
  201    HA   HIS  26           HA       HIS  26  -7.688  19.947  -7.285
  202   1HB   HIS  26          1HB       HIS  26  -8.599  22.725  -8.128
  203   2HB   HIS  26          2HB       HIS  26  -9.587  21.425  -7.519
  204    HD1  HIS  26           HD1      HIS  26  -6.742  23.751  -6.083
  205    HD2  HIS  26           HD2      HIS  26 -10.140  21.473  -5.013
  206    HE1  HIS  26           HE1      HIS  26  -7.249  24.280  -3.664
  207    H    ASP  27           H        ASP  27  -5.804  20.479  -9.815
  208    HA   ASP  27           HA       ASP  27  -5.741  19.654 -11.920
  209   1HB   ASP  27          1HB       ASP  27  -8.536  18.526 -11.571
  210   2HB   ASP  27          2HB       ASP  27  -7.361  18.112 -12.806
  211    H    THR  28           H        THR  28  -7.340  22.166 -11.025
  212    HA   THR  28           HA       THR  28  -8.083  23.108 -13.757
  213    HB   THR  28           HB       THR  28  -9.082  25.053 -12.684
  214    HG1  THR  28           HG1      THR  28  -9.087  25.430 -10.575
  215   1HG2  THR  28          1HG2      THR  28 -10.104  22.502 -11.353
  216   2HG2  THR  28          2HG2      THR  28 -10.980  24.033 -11.489
  217   3HG2  THR  28          3HG2      THR  28 -10.587  23.108 -12.950
  218    H    VAL  29           H        VAL  29  -7.270  25.393 -14.146
  219    HA   VAL  29           HA       VAL  29  -4.389  25.493 -13.448
  220    HB   VAL  29           HB       VAL  29  -5.633  26.220 -16.120
  221   1HG1  VAL  29          1HG1      VAL  29  -3.291  26.001 -16.892
  222   2HG1  VAL  29          2HG1      VAL  29  -3.430  27.249 -15.645
  223   3HG1  VAL  29          3HG1      VAL  29  -2.765  25.651 -15.239
  224   1HG2  VAL  29          1HG2      VAL  29  -4.357  23.607 -15.234
  225   2HG2  VAL  29          2HG2      VAL  29  -6.028  23.831 -15.792
  226   3HG2  VAL  29          3HG2      VAL  29  -4.707  24.058 -16.921
  227    H    VAL  30           H        VAL  30  -3.789  27.252 -12.499
  228    HA   VAL  30           HA       VAL  30  -5.390  29.765 -12.761
  229    HB   VAL  30           HB       VAL  30  -4.515  30.427 -10.570
  230   1HG1  VAL  30          1HG1      VAL  30  -6.057  27.814 -10.600
  231   2HG1  VAL  30          2HG1      VAL  30  -5.920  28.891  -9.196
  232   3HG1  VAL  30          3HG1      VAL  30  -6.710  29.460 -10.669
  233   1HG2  VAL  30          1HG2      VAL  30  -3.549  28.760  -9.022
  234   2HG2  VAL  30          2HG2      VAL  30  -3.409  27.600 -10.353
  235   3HG2  VAL  30          3HG2      VAL  30  -2.480  29.118 -10.386
  236    H    MET  31           H        MET  31  -4.317  31.687 -13.049
  237    HA   MET  31           HA       MET  31  -1.412  31.793 -13.053
  238   1HB   MET  31          1HB       MET  31  -1.052  32.453 -15.339
  239   2HB   MET  31          2HB       MET  31  -1.928  30.931 -15.352
  240   1HG   MET  31          1HG       MET  31  -3.987  32.652 -15.370
  241   2HG   MET  31          2HG       MET  31  -2.818  33.618 -16.239
  242   1HE   MET  31          1HE       MET  31  -4.666  29.551 -17.501
  243   2HE   MET  31          2HE       MET  31  -3.494  29.649 -16.182
  244   3HE   MET  31          3HE       MET  31  -5.067  30.459 -16.026
  245    H    GLU  32           H        GLU  32  -0.646  34.023 -13.489
  246    HA   GLU  32           HA       GLU  32  -2.670  36.107 -13.041
  247   1HB   GLU  32          1HB       GLU  32  -1.845  34.864 -10.864
  248   2HB   GLU  32          2HB       GLU  32  -0.397  35.861 -11.057
  249   1HG   GLU  32          1HG       GLU  32  -1.786  37.885 -11.003
  250   2HG   GLU  32          2HG       GLU  32  -3.247  36.909 -10.914
  251    H    VAL  33           H        VAL  33  -1.980  38.184 -13.590
  252    HA   VAL  33           HA       VAL  33   0.830  38.499 -14.557
  253    HB   VAL  33           HB       VAL  33  -0.017  39.666 -16.571
  254   1HG1  VAL  33          1HG1      VAL  33  -0.922  36.775 -16.451
  255   2HG1  VAL  33          2HG1      VAL  33  -0.318  37.688 -17.852
  256   3HG1  VAL  33          3HG1      VAL  33   0.773  37.294 -16.542
  257   1HG2  VAL  33          1HG2      VAL  33  -2.286  39.350 -17.343
  258   2HG2  VAL  33          2HG2      VAL  33  -2.708  38.415 -15.898
  259   3HG2  VAL  33          3HG2      VAL  33  -2.335  40.150 -15.768
  260    H    ALA  34           H        ALA  34   1.575  40.534 -15.007
  261    HA   ALA  34           HA       ALA  34   0.086  42.854 -13.912
  262   1HB   ALA  34          1HB       ALA  34   2.204  43.811 -13.087
  263   2HB   ALA  34          2HB       ALA  34   1.832  42.276 -12.277
  264   3HB   ALA  34          3HB       ALA  34   3.065  42.328 -13.550
  265    H    PHE  35           H        PHE  35   0.251  44.706 -15.189
  266    HA   PHE  35           HA       PHE  35   1.099  44.146 -17.996
  267   1HB   PHE  35          1HB       PHE  35  -1.167  43.372 -17.588
  268   2HB   PHE  35          2HB       PHE  35  -1.594  44.904 -16.833
  269    HD1  PHE  35           HD1      PHE  35  -0.070  43.754 -20.102
  270    HD2  PHE  35           HD2      PHE  35  -2.944  46.300 -18.132
  271    HE1  PHE  35           HE1      PHE  35  -0.744  44.693 -22.276
  272    HE2  PHE  35           HE2      PHE  35  -3.559  47.269 -20.333
  273    HZ   PHE  35           HZ       PHE  35  -2.422  46.546 -22.374
  274    H    SER  36           H        SER  36   2.257  45.731 -18.827
  275    HA   SER  36           HA       SER  36   2.384  48.383 -17.566
  276   1HB   SER  36          1HB       SER  36   3.866  47.111 -19.894
  277   2HB   SER  36          2HB       SER  36   4.177  48.751 -19.291
  278    HG   SER  36           HG       SER  36   4.292  46.404 -17.695
  279    H    GLY  37           H        GLY  37   0.245  47.231 -19.896
  280   1HA   GLY  37          1HA       GLY  37   0.220  49.687 -21.545
  281   2HA   GLY  37          2HA       GLY  37  -0.777  48.262 -21.769
  282    H    THR  38           H        THR  38  -2.719  49.339 -21.913
  283    HA   THR  38           HA       THR  38  -3.699  51.536 -20.518
  284    HB   THR  38           HB       THR  38  -5.965  50.575 -21.199
  285    HG1  THR  38           HG1      THR  38  -5.964  48.733 -22.374
  286   1HG2  THR  38          1HG2      THR  38  -4.690  52.036 -22.744
  287   2HG2  THR  38          2HG2      THR  38  -3.873  50.602 -23.413
  288   3HG2  THR  38          3HG2      THR  38  -5.627  50.797 -23.595
  289    H    LYS  39           H        LYS  39  -5.502  51.716 -19.050
  290    HA   LYS  39           HA       LYS  39  -6.414  49.335 -17.660
  291   1HB   LYS  39          1HB       LYS  39  -5.895  51.874 -16.066
  292   2HB   LYS  39          2HB       LYS  39  -6.537  50.350 -15.465
  293   1HG   LYS  39          1HG       LYS  39  -3.703  50.764 -16.493
  294   2HG   LYS  39          2HG       LYS  39  -4.177  50.855 -14.807
  295   1HD   LYS  39          1HD       LYS  39  -4.692  48.559 -14.641
  296   2HD   LYS  39          2HD       LYS  39  -4.720  48.311 -16.378
  297   1HE   LYS  39          HE2       LYS  39  -2.238  49.003 -14.735
  298   2HE   LYS  39          HE3       LYS  39  -2.690  47.392 -15.303
  299   1HZ   LYS  39          HZ1       LYS  39  -1.800  49.675 -16.963
  300   2HZ   LYS  39          HZ2       LYS  39  -1.199  48.147 -16.908
  301   3HZ   LYS  39          HZ3       LYS  39  -2.675  48.503 -17.615
  302    HA   PRO  40           HA       PRO  40  -8.362  48.614 -16.976
  303   1HB   PRO  40          1HB       PRO  40 -10.789  47.866 -17.788
  304   2HB   PRO  40          2HB       PRO  40 -10.645  49.086 -16.487
  305   1HG   PRO  40          1HG       PRO  40 -11.101  49.574 -19.460
  306   2HG   PRO  40          2HG       PRO  40 -12.043  50.234 -18.087
  307   1HD   PRO  40          1HD       PRO  40  -9.952  51.585 -19.283
  308   2HD   PRO  40          2HD       PRO  40 -10.344  51.774 -17.549
  309    H    CYS  41           H        CYS  41  -8.449  46.481 -18.143
  310    HA   CYS  41           HA       CYS  41  -9.446  46.486 -20.854
  311   1HB   CYS  41          1HB       CYS  41  -7.466  45.510 -21.930
  312   2HB   CYS  41          2HB       CYS  41  -7.179  47.143 -21.370
  313    H    ARG  42           H        ARG  42  -9.660  44.377 -21.741
  314    HA   ARG  42           HA       ARG  42 -10.079  42.134 -19.840
  315   1HB   ARG  42          1HB       ARG  42 -11.759  42.755 -21.548
  316   2HB   ARG  42          2HB       ARG  42 -10.581  42.435 -22.834
  317   1HG   ARG  42          1HG       ARG  42 -10.441  40.033 -22.007
  318   2HG   ARG  42          2HG       ARG  42 -11.723  40.414 -20.858
  319   1HD   ARG  42          1HD       ARG  42 -11.819  40.325 -23.881
  320   2HD   ARG  42          2HD       ARG  42 -12.782  39.381 -22.763
  321    HE   ARG  42           HE       ARG  42 -13.066  42.344 -23.273
  322   1HH1  ARG  42          1HH1      ARG  42 -14.826  39.446 -22.127
  323   2HH1  ARG  42          2HH1      ARG  42 -16.298  40.434 -22.122
  324   1HH2  ARG  42          1HH2      ARG  42 -14.872  43.301 -23.191
  325   2HH2  ARG  42          2HH2      ARG  42 -16.340  42.426 -22.655
  326    H    ILE  43           H        ILE  43  -8.698  40.466 -19.663
  327    HA   ILE  43           HA       ILE  43  -6.081  40.730 -20.904
  328    HB   ILE  43           HB       ILE  43  -7.175  38.528 -19.121
  329   1HG1  ILE  43          2HG1      ILE  43  -5.476  41.020 -18.560
  330   2HG1  ILE  43          3HG1      ILE  43  -7.139  40.764 -18.050
  331   1HG2  ILE  43          1HG2      ILE  43  -5.219  37.833 -20.554
  332   2HG2  ILE  43          2HG2      ILE  43  -4.319  39.229 -19.924
  333   3HG2  ILE  43          3HG2      ILE  43  -4.798  37.916 -18.844
  334   1HD1  ILE  43          1HD1      ILE  43  -6.374  38.835 -16.633
  335   2HD1  ILE  43          2HD1      ILE  43  -4.707  39.310 -17.013
  336   3HD1  ILE  43          3HD1      ILE  43  -5.774  40.433 -16.158
  337    HA   PRO  44           HA       PRO  44  -7.620  38.417 -24.497
  338   1HB   PRO  44          1HB       PRO  44  -5.440  38.618 -26.117
  339   2HB   PRO  44          2HB       PRO  44  -6.483  40.018 -25.736
  340   1HG   PRO  44          1HG       PRO  44  -3.876  39.259 -24.400
  341   2HG   PRO  44          2HG       PRO  44  -4.370  40.859 -25.023
  342   1HD   PRO  44          1HD       PRO  44  -4.572  40.097 -22.408
  343   2HD   PRO  44          2HD       PRO  44  -5.739  41.225 -23.179
  344    H    VAL  45           H        VAL  45  -7.659  36.760 -22.864
  345    HA   VAL  45           HA       VAL  45  -5.383  34.955 -22.663
  346    HB   VAL  45           HB       VAL  45  -7.318  35.904 -20.881
  347   1HG1  VAL  45          1HG1      VAL  45  -7.869  32.937 -21.159
  348   2HG1  VAL  45          2HG1      VAL  45  -8.440  34.017 -19.879
  349   3HG1  VAL  45          3HG1      VAL  45  -9.000  34.258 -21.537
  350   1HG2  VAL  45          1HG2      VAL  45  -6.121  33.837 -19.493
  351   2HG2  VAL  45          2HG2      VAL  45  -4.957  34.166 -20.759
  352   3HG2  VAL  45          3HG2      VAL  45  -5.516  35.486 -19.738
  353    H    ARG  46           H        ARG  46  -5.305  32.847 -23.143
  354    HA   ARG  46           HA       ARG  46  -7.543  31.221 -23.935
  355   1HB   ARG  46          1HB       ARG  46  -6.756  30.742 -26.276
  356   2HB   ARG  46          2HB       ARG  46  -7.415  32.362 -26.070
  357   1HG   ARG  46          1HG       ARG  46  -5.026  33.189 -25.784
  358   2HG   ARG  46          2HG       ARG  46  -4.488  31.569 -26.263
  359   1HD   ARG  46          1HD       ARG  46  -5.298  31.872 -28.482
  360   2HD   ARG  46          2HD       ARG  46  -6.263  33.289 -28.011
  361    HE   ARG  46           HE       ARG  46  -4.085  34.404 -27.415
  362   1HH1  ARG  46          1HH1      ARG  46  -3.904  32.012 -30.090
  363   2HH1  ARG  46          2HH1      ARG  46  -2.448  32.790 -30.639
  364   1HH2  ARG  46          1HH2      ARG  46  -2.158  35.113 -28.134
  365   2HH2  ARG  46          2HH2      ARG  46  -1.464  34.482 -29.579
  366    H    ALA  47           H        ALA  47  -6.909  29.026 -24.181
  367    HA   ALA  47           HA       ALA  47  -4.017  28.398 -23.716
  368   1HB   ALA  47          1HB       ALA  47  -5.248  27.864 -21.664
  369   2HB   ALA  47          2HB       ALA  47  -6.458  26.951 -22.606
  370   3HB   ALA  47          3HB       ALA  47  -4.774  26.396 -22.567
  371    H    VAL  48           H        VAL  48  -3.221  27.478 -25.528
  372    HA   VAL  48           HA       VAL  48  -5.242  26.276 -27.364
  373    HB   VAL  48           HB       VAL  48  -4.059  27.059 -29.211
  374   1HG1  VAL  48          1HG1      VAL  48  -4.300  29.452 -28.948
  375   2HG1  VAL  48          2HG1      VAL  48  -5.564  28.654 -28.005
  376   3HG1  VAL  48          3HG1      VAL  48  -4.137  29.335 -27.191
  377   1HG2  VAL  48          1HG2      VAL  48  -1.902  28.017 -27.313
  378   2HG2  VAL  48          2HG2      VAL  48  -1.733  26.844 -28.637
  379   3HG2  VAL  48          3HG2      VAL  48  -2.051  28.554 -28.985
  380    H    ALA  49           H        ALA  49  -5.229  24.220 -27.719
  381    HA   ALA  49           HA       ALA  49  -3.364  22.487 -26.459
  382   1HB   ALA  49          1HB       ALA  49  -5.628  21.798 -26.898
  383   2HB   ALA  49          2HB       ALA  49  -5.402  21.965 -28.659
  384   3HB   ALA  49          3HB       ALA  49  -4.531  20.705 -27.750
  385    H    HIS  50           H        HIS  50  -1.655  21.313 -27.147
  386    HA   HIS  50           HA       HIS  50   0.224  22.403 -28.758
  387   1HB   HIS  50          1HB       HIS  50   0.494  20.675 -27.040
  388   2HB   HIS  50          2HB       HIS  50  -0.096  19.444 -28.156
  389    HD1  HIS  50           HD1      HIS  50   2.985  20.818 -26.849
  390    HD2  HIS  50           HD2      HIS  50   1.617  19.346 -30.568
  391    HE1  HIS  50           HE1      HIS  50   5.069  20.233 -28.247
  392    H    GLY  51           H        GLY  51  -0.167  23.072 -30.769
  393   1HA   GLY  51          1HA       GLY  51   0.465  22.314 -33.065
  394   2HA   GLY  51          2HA       GLY  51  -0.753  21.057 -32.913
  395    H    ALA  52           H        ALA  52  -2.437  23.445 -31.485
  396    HA   ALA  52           HA       ALA  52  -3.369  24.650 -34.077
  397   1HB   ALA  52          1HB       ALA  52  -5.061  23.459 -31.860
  398   2HB   ALA  52          2HB       ALA  52  -5.647  24.242 -33.345
  399   3HB   ALA  52          3HB       ALA  52  -4.734  22.727 -33.450
  400    HA   PRO  53           HA       PRO  53  -2.472  27.898 -30.915
  401   1HB   PRO  53          1HB       PRO  53  -1.385  29.834 -32.545
  402   2HB   PRO  53          2HB       PRO  53  -0.477  28.437 -31.890
  403   1HG   PRO  53          1HG       PRO  53  -1.789  28.697 -34.612
  404   2HG   PRO  53          2HG       PRO  53  -0.132  28.128 -34.230
  405   1HD   PRO  53          1HD       PRO  53  -2.186  26.402 -34.676
  406   2HD   PRO  53          2HD       PRO  53  -0.932  26.044 -33.449
  407    H    ASP  54           H        ASP  54  -4.422  27.985 -33.726
  408    HA   ASP  54           HA       ASP  54  -5.907  30.385 -33.281
  409   1HB   ASP  54          1HB       ASP  54  -6.826  27.913 -34.780
  410   2HB   ASP  54          2HB       ASP  54  -7.146  29.606 -35.153
  411    H    VAL  55           H        VAL  55  -6.045  27.298 -31.672
  412    HA   VAL  55           HA       VAL  55  -8.992  27.491 -31.198
  413    HB   VAL  55           HB       VAL  55  -7.165  25.061 -31.115
  414   1HG1  VAL  55          1HG1      VAL  55  -9.092  24.816 -29.570
  415   2HG1  VAL  55          2HG1      VAL  55 -10.203  25.290 -30.870
  416   3HG1  VAL  55          3HG1      VAL  55  -9.279  23.774 -30.978
  417   1HG2  VAL  55          1HG2      VAL  55  -9.268  25.889 -33.164
  418   2HG2  VAL  55          2HG2      VAL  55  -7.512  25.861 -33.427
  419   3HG2  VAL  55          3HG2      VAL  55  -8.377  24.349 -33.140
  420    H    ASP  56           H        ASP  56  -9.390  28.472 -29.284
  421    HA   ASP  56           HA       ASP  56  -7.750  27.976 -26.924
  422   1HB   ASP  56          1HB       ASP  56  -8.939  30.135 -27.348
  423   2HB   ASP  56          2HB       ASP  56 -10.479  29.306 -27.104
  424    H    VAL  57           H        VAL  57  -7.912  26.321 -25.634
  425    HA   VAL  57           HA       VAL  57 -10.389  24.657 -25.477
  426    HB   VAL  57           HB       VAL  57  -9.093  22.810 -24.737
  427   1HG1  VAL  57          1HG1      VAL  57  -9.333  23.200 -27.188
  428   2HG1  VAL  57          2HG1      VAL  57  -7.718  23.941 -27.197
  429   3HG1  VAL  57          3HG1      VAL  57  -7.918  22.233 -26.744
  430   1HG2  VAL  57          1HG2      VAL  57  -7.243  24.001 -23.520
  431   2HG2  VAL  57          2HG2      VAL  57  -6.697  22.713 -24.607
  432   3HG2  VAL  57          3HG2      VAL  57  -6.520  24.384 -25.099
  433    H    ALA  58           H        ALA  58  -9.113  27.218 -23.846
  434    HA   ALA  58           HA       ALA  58  -9.218  26.366 -21.112
  435   1HB   ALA  58          1HB       ALA  58  -9.766  29.090 -22.374
  436   2HB   ALA  58          2HB       ALA  58  -9.437  28.786 -20.664
  437   3HB   ALA  58          3HB       ALA  58  -8.173  28.483 -21.878
  438    H    MET  59           H        MET  59 -10.950  25.537 -20.084
  439    HA   MET  59           HA       MET  59 -13.638  26.793 -20.535
  440   1HB   MET  59          1HB       MET  59 -12.905  24.181 -19.162
  441   2HB   MET  59          2HB       MET  59 -14.530  24.889 -19.273
  442   1HG   MET  59          1HG       MET  59 -14.298  24.915 -21.771
  443   2HG   MET  59          2HG       MET  59 -12.782  24.029 -21.615
  444   1HE   MET  59          1HE       MET  59 -16.233  21.970 -22.860
  445   2HE   MET  59          2HE       MET  59 -16.418  23.684 -22.430
  446   3HE   MET  59          3HE       MET  59 -15.072  23.171 -23.474
  447    H    LEU  60           H        LEU  60 -13.506  28.656 -19.467
  448    HA   LEU  60           HA       LEU  60 -11.826  29.187 -17.272
  449   1HB   LEU  60          1HB       LEU  60 -14.246  30.792 -18.093
  450   2HB   LEU  60          2HB       LEU  60 -12.846  31.364 -17.211
  451    HG   LEU  60           HG       LEU  60 -12.114  30.200 -19.852
  452   1HD1  LEU  60          1HD1      LEU  60 -13.831  32.706 -19.770
  453   2HD1  LEU  60          2HD1      LEU  60 -12.998  32.023 -21.191
  454   3HD1  LEU  60          3HD1      LEU  60 -14.321  31.129 -20.432
  455   1HD2  LEU  60          1HD2      LEU  60 -11.586  32.927 -18.619
  456   2HD2  LEU  60          2HD2      LEU  60 -10.535  31.498 -18.466
  457   3HD2  LEU  60          3HD2      LEU  60 -10.806  32.232 -20.058
  458    H    ILE  61           H        ILE  61 -12.028  28.996 -15.130
  459    HA   ILE  61           HA       ILE  61 -14.547  27.899 -13.956
  460    HB   ILE  61           HB       ILE  61 -11.783  28.195 -12.750
  461   1HG1  ILE  61          2HG1      ILE  61 -11.520  26.621 -14.517
  462   2HG1  ILE  61          3HG1      ILE  61 -11.571  25.724 -13.024
  463   1HG2  ILE  61          1HG2      ILE  61 -14.190  26.642 -11.733
  464   2HG2  ILE  61          2HG2      ILE  61 -12.545  26.555 -11.055
  465   3HG2  ILE  61          3HG2      ILE  61 -13.442  28.067 -10.988
  466   1HD1  ILE  61          1HD1      ILE  61 -13.995  25.151 -13.511
  467   2HD1  ILE  61          2HD1      ILE  61 -13.810  25.965 -15.083
  468   3HD1  ILE  61          3HD1      ILE  61 -12.848  24.535 -14.708
  469    H    THR  62           H        THR  62 -12.442  30.707 -13.896
  470    HA   THR  62           HA       THR  62 -14.389  32.109 -12.115
  471    HB   THR  62           HB       THR  62 -11.839  31.938 -11.530
  472    HG1  THR  62           HG1      THR  62 -12.273  33.484 -10.240
  473   1HG2  THR  62          1HG2      THR  62 -11.765  34.465 -13.219
  474   2HG2  THR  62          2HG2      THR  62 -10.448  33.724 -12.293
  475   3HG2  THR  62          3HG2      THR  62 -11.076  32.920 -13.754
  476    HA   PRO  63           HA       PRO  63 -15.856  34.363 -15.571
  477   1HB   PRO  63          1HB       PRO  63 -15.253  36.965 -14.154
  478   2HB   PRO  63          2HB       PRO  63 -16.761  36.459 -14.981
  479   1HG   PRO  63          1HG       PRO  63 -16.600  36.351 -12.285
  480   2HG   PRO  63          2HG       PRO  63 -17.328  34.979 -13.185
  481   1HD   PRO  63          1HD       PRO  63 -14.523  35.223 -12.077
  482   2HD   PRO  63          2HD       PRO  63 -15.660  33.843 -11.974
  483    H    ASN  64           H        ASN  64 -15.429  35.762 -17.288
  484    HA   ASN  64           HA       ASN  64 -13.191  35.926 -18.735
  485   1HB   ASN  64          1HB       ASN  64 -15.291  36.638 -19.546
  486   2HB   ASN  64          2HB       ASN  64 -15.454  37.889 -18.311
  487   1HD2  ASN  64          2HD2      ASN  64 -13.708  39.634 -18.397
  488   2HD2  ASN  64          1HD2      ASN  64 -13.457  40.286 -20.024
  489    HA   PRO  65           HA       PRO  65 -10.683  38.098 -15.735
  490   1HB   PRO  65          1HB       PRO  65  -8.180  37.583 -16.675
  491   2HB   PRO  65          2HB       PRO  65  -9.221  36.351 -15.897
  492   1HG   PRO  65          1HG       PRO  65  -8.838  36.853 -18.868
  493   2HG   PRO  65          2HG       PRO  65  -8.750  35.297 -17.979
  494   1HD   PRO  65          1HD       PRO  65 -11.012  36.101 -19.262
  495   2HD   PRO  65          2HD       PRO  65 -11.084  35.203 -17.710
  496    H    THR  66           H        THR  66  -9.759  40.031 -15.449
  497    HA   THR  66           HA       THR  66  -9.219  41.833 -17.746
  498    HB   THR  66           HB       THR  66 -10.357  43.626 -16.360
  499    HG1  THR  66           HG1      THR  66 -11.738  43.092 -14.777
  500   1HG2  THR  66          1HG2      THR  66 -11.478  42.791 -18.345
  501   2HG2  THR  66          2HG2      THR  66 -12.136  41.407 -17.438
  502   3HG2  THR  66          3HG2      THR  66 -12.645  43.066 -17.062
  503    H    MET  67           H        MET  67  -7.879  43.558 -17.303
  504    HA   MET  67           HA       MET  67  -6.442  43.570 -14.698
  505   1HB   MET  67          1HB       MET  67  -5.205  43.232 -17.213
  506   2HB   MET  67          2HB       MET  67  -5.003  44.952 -16.860
  507   1HG   MET  67          1HG       MET  67  -4.280  42.628 -15.035
  508   2HG   MET  67          2HG       MET  67  -3.144  43.600 -15.957
  509   1HE   MET  67          1HE       MET  67  -2.938  42.873 -12.938
  510   2HE   MET  67          2HE       MET  67  -1.719  44.019 -13.546
  511   3HE   MET  67          3HE       MET  67  -2.622  44.384 -12.060
  512    H    GLU  68           H        GLU  68  -7.176  45.265 -13.494
  513    HA   GLU  68           HA       GLU  68  -8.618  47.412 -14.963
  514   1HB   GLU  68          1HB       GLU  68  -9.409  46.092 -12.332
  515   2HB   GLU  68          2HB       GLU  68 -10.262  47.386 -13.179
  516   1HG   GLU  68          1HG       GLU  68 -10.514  45.848 -15.160
  517   2HG   GLU  68          2HG       GLU  68  -9.788  44.552 -14.207
  518    H    ASN  69           H        ASN  69  -8.960  49.366 -13.516
  519    HA   ASN  69           HA       ASN  69  -6.338  50.241 -12.500
  520   1HB   ASN  69          1HB       ASN  69  -7.642  52.413 -12.149
  521   2HB   ASN  69          2HB       ASN  69  -7.452  51.841 -13.803
  522   1HD2  ASN  69          2HD2      ASN  69  -9.304  52.766 -14.756
  523   2HD2  ASN  69          1HD2      ASN  69 -10.911  52.302 -14.195
  524    H    ASN  70           H        ASN  70  -9.015  48.713 -11.150
  525    HA   ASN  70           HA       ASN  70  -8.344  49.560  -8.366
  526   1HB   ASN  70          1HB       ASN  70 -10.724  49.503  -7.896
  527   2HB   ASN  70          2HB       ASN  70 -10.417  50.571  -9.259
  528   1HD2  ASN  70          1HD2      ASN  70 -11.141  49.887 -11.447
  529   2HD2  ASN  70          2HD2      ASN  70 -12.261  48.502 -11.530
  530    H    GLY  71           H        GLY  71  -7.656  47.056 -10.170
  531   1HA   GLY  71          1HA       GLY  71  -7.229  45.032  -8.401
  532   2HA   GLY  71          2HA       GLY  71  -8.931  44.810  -8.854
  533    H    GLY  72           H        GLY  72  -7.775  42.696  -9.647
  534   1HA   GLY  72          1HA       GLY  72  -8.237  41.730 -11.836
  535   2HA   GLY  72          2HA       GLY  72  -7.444  43.095 -12.598
  536    H    GLY  73           H        GLY  73  -6.601  41.140 -13.703
  537   1HA   GLY  73          1HA       GLY  73  -4.487  40.348 -14.361
  538   2HA   GLY  73          2HA       GLY  73  -3.845  40.668 -12.765
  539    H    PHE  74           H        PHE  74  -6.553  38.854 -12.074
  540    HA   PHE  74           HA       PHE  74  -4.979  36.315 -12.119
  541   1HB   PHE  74          1HB       PHE  74  -5.411  37.201  -9.859
  542   2HB   PHE  74          2HB       PHE  74  -7.144  37.210 -10.185
  543    HD1  PHE  74           HD1      PHE  74  -4.151  34.947  -9.967
  544    HD2  PHE  74           HD2      PHE  74  -8.459  35.195  -9.951
  545    HE1  PHE  74           HE1      PHE  74  -4.290  32.526  -9.520
  546    HE2  PHE  74           HE2      PHE  74  -8.585  32.755  -9.493
  547    HZ   PHE  74           HZ       PHE  74  -6.515  31.425  -9.274
  548    H    ILE  75           H        ILE  75  -5.940  34.343 -12.461
  549    HA   ILE  75           HA       ILE  75  -8.461  34.219 -14.033
  550    HB   ILE  75           HB       ILE  75  -5.755  33.257 -14.930
  551   1HG1  ILE  75          2HG1      ILE  75  -6.974  35.933 -15.511
  552   2HG1  ILE  75          3HG1      ILE  75  -5.361  35.551 -14.912
  553   1HG2  ILE  75          1HG2      ILE  75  -7.552  32.014 -15.961
  554   2HG2  ILE  75          2HG2      ILE  75  -8.324  33.519 -16.510
  555   3HG2  ILE  75          3HG2      ILE  75  -6.751  32.990 -17.162
  556   1HD1  ILE  75          1HD1      ILE  75  -6.396  35.233 -17.703
  557   2HD1  ILE  75          2HD1      ILE  75  -5.158  36.354 -17.124
  558   3HD1  ILE  75          3HD1      ILE  75  -4.806  34.613 -17.167
  559    H    GLU  76           H        GLU  76  -9.364  32.128 -14.037
  560    HA   GLU  76           HA       GLU  76  -7.651  29.840 -13.484
  561   1HB   GLU  76          1HB       GLU  76  -8.733  30.372 -11.287
  562   2HB   GLU  76          2HB       GLU  76 -10.313  30.083 -12.037
  563   1HG   GLU  76          1HG       GLU  76  -9.617  27.761 -12.618
  564   2HG   GLU  76          2HG       GLU  76  -8.025  28.051 -11.963
  565    H    MET  77           H        MET  77  -8.074  28.173 -14.805
  566    HA   MET  77           HA       MET  77 -10.646  27.844 -16.220
  567   1HB   MET  77          1HB       MET  77  -9.408  27.667 -18.402
  568   2HB   MET  77          2HB       MET  77  -9.447  29.300 -17.735
  569   1HG   MET  77          1HG       MET  77  -7.149  29.071 -16.897
  570   2HG   MET  77          2HG       MET  77  -7.112  27.390 -17.400
  571   1HE   MET  77          1HE       MET  77  -6.457  31.085 -18.419
  572   2HE   MET  77          2HE       MET  77  -6.759  31.075 -20.167
  573   3HE   MET  77          3HE       MET  77  -8.115  30.873 -19.031
  574    H    GLN  78           H        GLN  78 -10.821  25.687 -17.265
  575    HA   GLN  78           HA       GLN  78  -8.699  23.760 -16.409
  576   1HB   GLN  78          1HB       GLN  78 -10.831  23.515 -15.156
  577   2HB   GLN  78          2HB       GLN  78 -11.654  23.106 -16.668
  578   1HG   GLN  78          1HG       GLN  78 -10.359  21.082 -16.907
  579   2HG   GLN  78          2HG       GLN  78  -9.179  21.612 -15.699
  580   1HE2  GLN  78          2HE2      GLN  78  -9.325  20.345 -13.873
  581   2HE2  GLN  78          1HE2      GLN  78 -10.896  19.825 -13.227
  582    H    LEU  79           H        LEU  79  -8.428  21.886 -17.806
  583    HA   LEU  79           HA       LEU  79  -8.707  22.588 -20.667
  584   1HB   LEU  79          1HB       LEU  79  -6.185  22.375 -18.957
  585   2HB   LEU  79          2HB       LEU  79  -6.158  22.102 -20.687
  586    HG   LEU  79           HG       LEU  79  -7.337  24.457 -20.842
  587   1HD1  LEU  79          1HD1      LEU  79  -5.604  25.285 -18.561
  588   2HD1  LEU  79          2HD1      LEU  79  -7.121  25.951 -19.169
  589   3HD1  LEU  79          3HD1      LEU  79  -7.125  24.553 -18.082
  590   1HD2  LEU  79          1HD2      LEU  79  -5.278  24.087 -21.863
  591   2HD2  LEU  79          2HD2      LEU  79  -4.933  25.410 -20.724
  592   3HD2  LEU  79          3HD2      LEU  79  -4.441  23.768 -20.321
  593    HA   PRO  80           HA       PRO  80  -8.428  18.115 -21.459
  594   1HB   PRO  80          1HB       PRO  80  -6.621  18.853 -23.737
  595   2HB   PRO  80          2HB       PRO  80  -8.110  17.868 -23.741
  596   1HG   PRO  80          1HG       PRO  80  -8.093  20.412 -24.706
  597   2HG   PRO  80          2HG       PRO  80  -9.484  19.804 -23.747
  598   1HD   PRO  80          1HD       PRO  80  -7.136  21.464 -22.786
  599   2HD   PRO  80          2HD       PRO  80  -8.891  21.719 -22.522
  600    HA   PRO  81           HA       PRO  81  -4.342  17.326 -19.483
  601   1HB   PRO  81          1HB       PRO  81  -5.257  14.505 -19.975
  602   2HB   PRO  81          2HB       PRO  81  -4.499  15.214 -18.511
  603   1HG   PRO  81          1HG       PRO  81  -7.167  14.771 -18.562
  604   2HG   PRO  81          2HG       PRO  81  -6.534  16.317 -17.901
  605   1HD   PRO  81          1HD       PRO  81  -7.641  15.787 -20.676
  606   2HD   PRO  81          2HD       PRO  81  -8.031  17.118 -19.539
  607    H    GLY  82           H        GLY  82  -2.364  16.895 -20.260
  608   1HA   GLY  82          1HA       GLY  82  -0.944  15.977 -22.186
  609   2HA   GLY  82          2HA       GLY  82  -2.251  16.550 -23.239
  610    H    ASP  83           H        ASP  83  -0.858  18.096 -24.290
  611    HA   ASP  83           HA       ASP  83   0.362  20.165 -22.528
  612   1HB   ASP  83          1HB       ASP  83   1.869  18.674 -23.832
  613   2HB   ASP  83          2HB       ASP  83   1.185  19.326 -25.322
  614    H    ASN  84           H        ASN  84  -0.356  22.171 -22.555
  615    HA   ASN  84           HA       ASN  84  -1.772  23.212 -24.966
  616   1HB   ASN  84          1HB       ASN  84  -2.702  23.620 -22.103
  617   2HB   ASN  84          2HB       ASN  84  -3.513  24.129 -23.584
  618   1HD2  ASN  84          2HD2      ASN  84  -2.991  21.458 -21.364
  619   2HD2  ASN  84          1HD2      ASN  84  -4.214  20.415 -22.106
  620    H    ILE  85           H        ILE  85  -1.220  25.267 -25.496
  621    HA   ILE  85           HA       ILE  85   0.904  26.550 -23.852
  622    HB   ILE  85           HB       ILE  85   0.130  27.017 -26.752
  623   1HG1  ILE  85          2HG1      ILE  85   2.701  26.063 -26.772
  624   2HG1  ILE  85          3HG1      ILE  85   2.093  25.189 -25.375
  625   1HG2  ILE  85          1HG2      ILE  85   2.386  28.134 -25.030
  626   2HG2  ILE  85          2HG2      ILE  85   2.254  28.325 -26.793
  627   3HG2  ILE  85          3HG2      ILE  85   1.031  29.045 -25.745
  628   1HD1  ILE  85          1HD1      ILE  85   1.860  23.888 -27.457
  629   2HD1  ILE  85          2HD1      ILE  85   0.259  24.241 -26.801
  630   3HD1  ILE  85          3HD1      ILE  85   0.877  25.177 -28.180
  631    H    ILE  86           H        ILE  86   0.283  27.998 -22.460
  632    HA   ILE  86           HA       ILE  86  -2.402  29.219 -22.785
  633    HB   ILE  86           HB       ILE  86  -0.717  28.904 -20.303
  634   1HG1  ILE  86          2HG1      ILE  86  -2.920  27.275 -21.589
  635   2HG1  ILE  86          3HG1      ILE  86  -1.345  26.752 -21.049
  636   1HG2  ILE  86          1HG2      ILE  86  -2.273  30.865 -20.230
  637   2HG2  ILE  86          2HG2      ILE  86  -3.618  29.808 -20.715
  638   3HG2  ILE  86          3HG2      ILE  86  -2.801  29.585 -19.154
  639   1HD1  ILE  86          1HD1      ILE  86  -2.081  27.103 -18.678
  640   2HD1  ILE  86          2HD1      ILE  86  -3.722  27.462 -19.288
  641   3HD1  ILE  86          3HD1      ILE  86  -2.997  25.875 -19.554
  642    H    TYR  87           H        TYR  87  -2.611  31.097 -23.487
  643    HA   TYR  87           HA       TYR  87  -0.341  33.001 -23.637
  644   1HB   TYR  87          1HB       TYR  87  -2.926  32.561 -25.124
  645   2HB   TYR  87          2HB       TYR  87  -2.099  34.097 -25.225
  646    HD1  TYR  87           HD1      TYR  87   0.094  34.316 -26.150
  647    HD2  TYR  87           HD2      TYR  87  -1.980  30.558 -26.280
  648    HE1  TYR  87           HE1      TYR  87   1.546  33.600 -28.040
  649    HE2  TYR  87           HE2      TYR  87  -0.431  29.769 -28.068
  650    HH   TYR  87           HH       TYR  87   1.177  30.402 -29.561
  651    H    VAL  88           H        VAL  88  -0.388  34.868 -22.689
  652    HA   VAL  88           HA       VAL  88  -2.994  36.172 -22.083
  653    HB   VAL  88           HB       VAL  88  -0.483  36.228 -20.385
  654   1HG1  VAL  88          1HG1      VAL  88  -0.758  38.467 -20.402
  655   2HG1  VAL  88          2HG1      VAL  88  -2.462  38.424 -20.883
  656   3HG1  VAL  88          3HG1      VAL  88  -2.007  38.120 -19.201
  657   1HG2  VAL  88          1HG2      VAL  88  -2.035  35.806 -18.576
  658   2HG2  VAL  88          2HG2      VAL  88  -3.424  36.058 -19.639
  659   3HG2  VAL  88          3HG2      VAL  88  -2.394  34.634 -19.855
  660    H    GLY  89           H        GLY  89  -3.021  36.769 -24.239
  661   1HA   GLY  89          1HA       GLY  89  -2.597  38.404 -25.886
  662   2HA   GLY  89          2HA       GLY  89  -1.078  38.827 -25.076
  663    H    GLU  90           H        GLU  90   0.624  38.365 -26.266
  664    HA   GLU  90           HA       GLU  90   0.769  35.722 -27.638
  665   1HB   GLU  90          1HB       GLU  90   1.245  38.228 -28.797
  666   2HB   GLU  90          2HB       GLU  90   2.852  37.613 -28.433
  667   1HG   GLU  90          1HG       GLU  90   2.170  36.924 -30.680
  668   2HG   GLU  90          2HG       GLU  90   2.346  35.510 -29.639
  669    H    LEU  91           H        LEU  91   1.840  37.508 -24.973
  670    HA   LEU  91           HA       LEU  91   4.222  36.013 -24.282
  671   1HB   LEU  91          1HB       LEU  91   3.491  38.162 -23.162
  672   2HB   LEU  91          2HB       LEU  91   2.074  37.316 -22.559
  673    HG   LEU  91           HG       LEU  91   3.787  35.653 -21.460
  674   1HD1  LEU  91          1HD1      LEU  91   5.932  36.664 -20.863
  675   2HD1  LEU  91          2HD1      LEU  91   5.799  36.583 -22.628
  676   3HD1  LEU  91          3HD1      LEU  91   5.540  38.128 -21.790
  677   1HD2  LEU  91          1HD2      LEU  91   2.318  37.171 -20.199
  678   2HD2  LEU  91          2HD2      LEU  91   3.922  37.047 -19.460
  679   3HD2  LEU  91          3HD2      LEU  91   3.497  38.487 -20.416
  680    H    LYS  92           H        LYS  92   4.277  33.898 -23.746
  681    HA   LYS  92           HA       LYS  92   1.748  32.485 -23.083
  682   1HB   LYS  92          1HB       LYS  92   2.121  30.820 -24.690
  683   2HB   LYS  92          2HB       LYS  92   2.371  32.350 -25.497
  684   1HG   LYS  92          1HG       LYS  92   4.961  31.852 -24.855
  685   2HG   LYS  92          2HG       LYS  92   4.356  30.193 -24.791
  686   1HD   LYS  92          1HD       LYS  92   5.123  30.477 -27.032
  687   2HD   LYS  92          2HD       LYS  92   3.359  30.631 -27.131
  688   1HE   LYS  92          HE2       LYS  92   3.893  33.199 -26.692
  689   2HE   LYS  92          HE3       LYS  92   5.506  32.785 -27.263
  690   1HZ   LYS  92          HZ1       LYS  92   3.890  33.606 -28.968
  691   2HZ   LYS  92          HZ2       LYS  92   4.576  32.155 -29.364
  692   3HZ   LYS  92          HZ3       LYS  92   3.032  32.211 -28.803
  693    H    HIS  93           H        HIS  93   2.140  30.204 -22.422
  694    HA   HIS  93           HA       HIS  93   4.746  29.501 -21.256
  695   1HB   HIS  93          1HB       HIS  93   3.509  30.792 -19.487
  696   2HB   HIS  93          2HB       HIS  93   2.188  29.636 -19.617
  697    HD1  HIS  93           HD1      HIS  93   2.359  27.689 -17.842
  698    HD2  HIS  93           HD2      HIS  93   5.984  29.685 -18.662
  699    HE1  HIS  93           HE1      HIS  93   4.049  26.832 -16.170
  700    H    GLN  94           H        GLN  94   5.051  27.283 -21.505
  701    HA   GLN  94           HA       GLN  94   2.950  25.653 -22.733
  702   1HB   GLN  94          1HB       GLN  94   5.291  25.426 -23.436
  703   2HB   GLN  94          2HB       GLN  94   5.767  24.960 -21.793
  704   1HG   GLN  94          1HG       GLN  94   4.360  22.940 -21.932
  705   2HG   GLN  94          2HG       GLN  94   3.733  23.468 -23.504
  706   1HE2  GLN  94          2HE2      GLN  94   4.459  21.662 -24.726
  707   2HE2  GLN  94          1HE2      GLN  94   6.214  21.378 -24.898
  708    H    TRP  95           H        TRP  95   1.311  24.894 -21.479
  709    HA   TRP  95           HA       TRP  95   1.922  24.003 -18.700
  710   1HB   TRP  95          1HB       TRP  95   0.330  25.805 -18.698
  711   2HB   TRP  95          2HB       TRP  95  -0.624  25.005 -19.953
  712    HD1  TRP  95           HD1      TRP  95  -2.555  23.657 -19.186
  713    HE1  TRP  95           HE1      TRP  95  -3.284  22.385 -17.017
  714    HE3  TRP  95           HE3      TRP  95   1.564  24.504 -16.264
  715    HZ2  TRP  95           HZ2      TRP  95  -2.111  21.565 -14.610
  716    HZ3  TRP  95           HZ3      TRP  95   1.810  23.294 -14.112
  717    HH2  TRP  95           HH2      TRP  95   0.020  21.776 -13.314
  718    H    PHE  96           H        PHE  96   2.477  21.944 -18.890
  719    HA   PHE  96           HA       PHE  96   0.876  19.980 -20.326
  720   1HB   PHE  96          1HB       PHE  96   2.295  18.532 -18.489
  721   2HB   PHE  96          2HB       PHE  96   2.757  18.893 -20.131
  722    HD1  PHE  96           HD1      PHE  96   4.784  19.973 -20.610
  723    HD2  PHE  96           HD2      PHE  96   3.120  20.259 -16.641
  724    HE1  PHE  96           HE1      PHE  96   6.880  21.024 -19.811
  725    HE2  PHE  96           HE2      PHE  96   5.223  21.326 -15.845
  726    HZ   PHE  96           HZ       PHE  96   7.108  21.695 -17.426
  727    H    GLN  97           H        GLN  97  -1.135  19.821 -19.756
  728    HA   GLN  97           HA       GLN  97  -2.210  20.349 -17.081
  729   1HB   GLN  97          1HB       GLN  97  -3.441  21.095 -19.063
  730   2HB   GLN  97          2HB       GLN  97  -3.387  19.482 -19.742
  731   1HG   GLN  97          1HG       GLN  97  -5.597  19.950 -18.991
  732   2HG   GLN  97          2HG       GLN  97  -4.950  18.658 -17.994
  733   1HE2  GLN  97          2HE2      GLN  97  -7.108  19.644 -16.962
  734   2HE2  GLN  97          1HE2      GLN  97  -6.663  20.561 -15.520
  735    H    LYS  98           H        LYS  98  -2.826  18.960 -15.617
  736    HA   LYS  98           HA       LYS  98  -3.116  16.079 -16.282
  737   1HB   LYS  98          1HB       LYS  98  -2.529  15.454 -14.057
  738   2HB   LYS  98          2HB       LYS  98  -1.194  16.344 -14.764
  739   1HG   LYS  98          1HG       LYS  98  -1.302  18.040 -13.225
  740   2HG   LYS  98          2HG       LYS  98  -3.064  18.039 -13.160
  741   1HD   LYS  98          1HD       LYS  98  -3.014  15.932 -11.816
  742   2HD   LYS  98          2HD       LYS  98  -1.246  15.990 -11.831
  743   1HE   LYS  98          HE2       LYS  98  -2.079  16.818  -9.721
  744   2HE   LYS  98          HE3       LYS  98  -1.315  18.155 -10.604
  745   1HZ   LYS  98          HZ1       LYS  98  -4.248  17.659 -10.676
  746   2HZ   LYS  98          HZ2       LYS  98  -3.547  18.675  -9.573
  747   3HZ   LYS  98          HZ3       LYS  98  -3.452  19.015 -11.162
  748    H    GLY  99           H        GLY  99  -4.923  15.017 -15.297
  749   1HA   GLY  99          1HA       GLY  99  -6.989  15.713 -13.757
  750   2HA   GLY  99          2HA       GLY  99  -7.273  16.705 -15.204
  Start of MODEL    6
    1   1H    ILE   1           H1       ILE   1 -10.512  45.498  -8.324
    2   2H    ILE   1           H2       ILE   1 -10.626  44.907  -9.881
    3   3H    ILE   1           H3       ILE   1 -11.555  46.159  -9.382
    4    HA   ILE   1           HA       ILE   1 -11.676  43.439  -8.254
    5    HB   ILE   1           HB       ILE   1 -13.823  45.563  -8.043
    6   1HG1  ILE   1          2HG1      ILE   1 -11.971  46.526  -6.848
    7   2HG1  ILE   1          3HG1      ILE   1 -13.165  45.941  -5.716
    8   1HG2  ILE   1          1HG2      ILE   1 -14.636  44.080  -6.227
    9   2HG2  ILE   1          2HG2      ILE   1 -14.576  43.233  -7.775
   10   3HG2  ILE   1          3HG2      ILE   1 -13.318  42.941  -6.559
   11   1HD1  ILE   1          1HD1      ILE   1 -10.839  45.508  -4.982
   12   2HD1  ILE   1          2HD1      ILE   1 -11.766  44.009  -5.141
   13   3HD1  ILE   1          3HD1      ILE   1 -10.577  44.462  -6.385
   14    H    SER   2           H        SER   2 -13.581  45.651 -10.353
   15    HA   SER   2           HA       SER   2 -15.362  44.039 -11.568
   16   1HB   SER   2          1HB       SER   2 -15.346  45.671 -13.372
   17   2HB   SER   2          2HB       SER   2 -15.306  46.408 -11.773
   18    HG   SER   2           HG       SER   2 -12.712  46.265 -12.416
   19    H    LYS   3           H        LYS   3 -14.883  41.976 -12.149
   20    HA   LYS   3           HA       LYS   3 -13.073  41.357 -14.411
   21   1HB   LYS   3          1HB       LYS   3 -15.181  39.670 -13.020
   22   2HB   LYS   3          2HB       LYS   3 -14.029  39.108 -14.231
   23   1HG   LYS   3          1HG       LYS   3 -13.272  40.214 -11.490
   24   2HG   LYS   3          2HG       LYS   3 -13.412  38.519 -11.887
   25   1HD   LYS   3          1HD       LYS   3 -11.366  38.402 -12.770
   26   2HD   LYS   3          2HD       LYS   3 -11.607  39.800 -13.800
   27   1HE   LYS   3          HE2       LYS   3 -10.835  39.931 -10.848
   28   2HE   LYS   3          HE3       LYS   3  -9.701  40.043 -12.207
   29   1HZ   LYS   3          HZ1       LYS   3 -10.317  42.328 -11.546
   30   2HZ   LYS   3          HZ2       LYS   3 -10.991  41.996 -12.977
   31   3HZ   LYS   3          HZ3       LYS   3 -11.885  41.944 -11.572
   32    H    GLY   4           H        GLY   4 -14.249  43.338 -15.301
   33   1HA   GLY   4          1HA       GLY   4 -16.905  43.456 -16.056
   34   2HA   GLY   4          2HA       GLY   4 -15.608  44.370 -16.818
   35    H    LEU   5           H        LEU   5 -18.070  42.198 -17.368
   36    HA   LEU   5           HA       LEU   5 -17.252  40.805 -19.714
   37   1HB   LEU   5          1HB       LEU   5 -19.971  41.987 -19.001
   38   2HB   LEU   5          2HB       LEU   5 -19.680  40.813 -20.275
   39    HG   LEU   5           HG       LEU   5 -19.346  40.312 -17.293
   40   1HD1  LEU   5          1HD1      LEU   5 -21.692  40.488 -18.082
   41   2HD1  LEU   5          2HD1      LEU   5 -21.365  39.271 -19.333
   42   3HD1  LEU   5          3HD1      LEU   5 -21.290  38.829 -17.616
   43   1HD2  LEU   5          1HD2      LEU   5 -18.988  38.423 -19.669
   44   2HD2  LEU   5          2HD2      LEU   5 -17.724  38.945 -18.528
   45   3HD2  LEU   5          3HD2      LEU   5 -19.052  37.928 -17.963
   46    H    THR   6           H        THR   6 -17.507  44.201 -19.297
   47    HA   THR   6           HA       THR   6 -18.198  44.754 -22.117
   48    HB   THR   6           HB       THR   6 -18.544  47.057 -21.263
   49    HG1  THR   6           HG1      THR   6 -18.500  47.298 -18.990
   50   1HG2  THR   6          1HG2      THR   6 -20.387  45.282 -21.197
   51   2HG2  THR   6          2HG2      THR   6 -20.013  45.078 -19.472
   52   3HG2  THR   6          3HG2      THR   6 -20.581  46.646 -20.082
   53    H    TYR   7           H        TYR   7 -15.374  45.097 -19.953
   54    HA   TYR   7           HA       TYR   7 -14.130  47.201 -21.457
   55   1HB   TYR   7          1HB       TYR   7 -12.680  45.053 -19.889
   56   2HB   TYR   7          2HB       TYR   7 -12.120  46.676 -20.254
   57    HD1  TYR   7           HD1      TYR   7 -14.931  48.037 -19.386
   58    HD2  TYR   7           HD2      TYR   7 -12.149  45.278 -17.587
   59    HE1  TYR   7           HE1      TYR   7 -15.620  48.797 -17.122
   60    HE2  TYR   7           HE2      TYR   7 -12.852  46.034 -15.324
   61    HH   TYR   7           HH       TYR   7 -14.201  47.446 -14.113
   62    H    THR   8           H        THR   8 -12.591  47.153 -23.167
   63    HA   THR   8           HA       THR   8 -12.598  44.646 -24.735
   64    HB   THR   8           HB       THR   8 -13.123  46.777 -25.831
   65    HG1  THR   8           HG1      THR   8 -11.895  46.225 -27.627
   66   1HG2  THR   8          1HG2      THR   8 -10.136  47.355 -25.593
   67   2HG2  THR   8          2HG2      THR   8 -11.314  48.249 -26.573
   68   3HG2  THR   8          3HG2      THR   8 -11.437  48.282 -24.807
   69    H    MET   9           H        MET   9 -10.433  44.402 -26.011
   70    HA   MET   9           HA       MET   9  -8.908  42.906 -24.089
   71   1HB   MET   9          1HB       MET   9  -8.454  43.362 -27.059
   72   2HB   MET   9          2HB       MET   9  -7.582  42.179 -26.079
   73   1HG   MET   9          1HG       MET   9 -10.599  42.190 -26.488
   74   2HG   MET   9          2HG       MET   9  -9.451  41.208 -27.390
   75   1HE   MET   9          1HE       MET   9 -10.673  39.070 -26.980
   76   2HE   MET   9          2HE       MET   9 -11.132  38.411 -25.394
   77   3HE   MET   9          3HE       MET   9 -11.949  39.862 -26.026
   78    H    CYS  10           H        CYS  10  -6.933  43.121 -23.258
   79    HA   CYS  10           HA       CYS  10  -5.394  45.566 -23.344
   80   1HB   CYS  10          1HB       CYS  10  -4.546  42.764 -22.656
   81   2HB   CYS  10          2HB       CYS  10  -3.771  44.212 -22.093
   82    H    ASP  11           H        ASP  11  -3.288  45.905 -24.320
   83    HA   ASP  11           HA       ASP  11  -2.708  44.900 -26.910
   84   1HB   ASP  11          1HB       ASP  11  -1.911  47.052 -26.103
   85   2HB   ASP  11          2HB       ASP  11  -0.930  46.274 -24.866
   86    H    LYS  12           H        LYS  12  -2.075  42.992 -27.487
   87    HA   LYS  12           HA       LYS  12  -1.423  40.870 -25.826
   88   1HB   LYS  12          1HB       LYS  12  -0.787  41.228 -28.788
   89   2HB   LYS  12          2HB       LYS  12  -0.764  39.693 -27.931
   90   1HG   LYS  12          1HG       LYS  12  -3.234  40.188 -27.301
   91   2HG   LYS  12          2HG       LYS  12  -3.180  41.419 -28.568
   92   1HD   LYS  12          1HD       LYS  12  -2.513  38.459 -28.938
   93   2HD   LYS  12          2HD       LYS  12  -4.070  39.197 -29.338
   94   1HE   LYS  12          HE2       LYS  12  -3.135  40.514 -31.097
   95   2HE   LYS  12          HE3       LYS  12  -1.477  40.210 -30.552
   96   1HZ   LYS  12          HZ1       LYS  12  -2.052  38.837 -32.466
   97   2HZ   LYS  12          HZ2       LYS  12  -1.658  37.937 -31.156
   98   3HZ   LYS  12          HZ3       LYS  12  -3.240  38.081 -31.596
   99    H    ALA  13           H        ALA  13   0.826  43.321 -26.711
  100    HA   ALA  13           HA       ALA  13   3.154  41.533 -26.103
  101   1HB   ALA  13          1HB       ALA  13   3.123  42.488 -28.354
  102   2HB   ALA  13          2HB       ALA  13   2.972  44.127 -27.681
  103   3HB   ALA  13          3HB       ALA  13   4.450  43.179 -27.402
  104    H    LYS  14           H        LYS  14   1.325  43.937 -24.517
  105    HA   LYS  14           HA       LYS  14   3.724  45.116 -23.159
  106   1HB   LYS  14          1HB       LYS  14   0.807  45.889 -22.960
  107   2HB   LYS  14          2HB       LYS  14   2.122  46.751 -22.203
  108   1HG   LYS  14          1HG       LYS  14   1.744  46.360 -25.166
  109   2HG   LYS  14          2HG       LYS  14   1.273  47.810 -24.275
  110   1HD   LYS  14          1HD       LYS  14   3.665  48.203 -23.711
  111   2HD   LYS  14          2HD       LYS  14   4.120  46.770 -24.651
  112   1HE   LYS  14          HE2       LYS  14   2.767  49.292 -25.707
  113   2HE   LYS  14          HE3       LYS  14   4.449  48.809 -25.965
  114   1HZ   LYS  14          HZ1       LYS  14   3.181  48.211 -27.890
  115   2HZ   LYS  14          HZ2       LYS  14   3.505  46.792 -27.111
  116   3HZ   LYS  14          HZ3       LYS  14   2.009  47.473 -27.029
  117    H    PHE  15           H        PHE  15   2.268  42.371 -22.634
  118    HA   PHE  15           HA       PHE  15   1.583  42.541 -19.797
  119   1HB   PHE  15          1HB       PHE  15   1.598  40.385 -21.925
  120   2HB   PHE  15          2HB       PHE  15   1.416  39.952 -20.235
  121    HD1  PHE  15           HD1      PHE  15  -0.335  41.056 -18.801
  122    HD2  PHE  15           HD2      PHE  15  -0.341  41.187 -23.121
  123    HE1  PHE  15           HE1      PHE  15  -2.796  41.392 -18.788
  124    HE2  PHE  15           HE2      PHE  15  -2.774  41.531 -23.107
  125    HZ   PHE  15           HZ       PHE  15  -4.014  41.562 -20.906
  126    H    THR  16           H        THR  16   2.315  41.158 -18.210
  127    HA   THR  16           HA       THR  16   4.953  39.857 -18.380
  128    HB   THR  16           HB       THR  16   5.463  40.878 -16.075
  129    HG1  THR  16           HG1      THR  16   3.204  42.275 -16.752
  130   1HG2  THR  16          1HG2      THR  16   5.560  42.781 -18.448
  131   2HG2  THR  16          2HG2      THR  16   6.574  42.822 -16.995
  132   3HG2  THR  16          3HG2      THR  16   6.718  41.468 -18.133
  133    H    TRP  17           H        TRP  17   5.035  38.015 -17.171
  134    HA   TRP  17           HA       TRP  17   2.654  36.912 -15.985
  135   1HB   TRP  17          1HB       TRP  17   5.523  36.002 -16.245
  136   2HB   TRP  17          2HB       TRP  17   4.353  35.109 -15.291
  137    HD1  TRP  17           HD1      TRP  17   5.757  34.924 -18.579
  138    HE1  TRP  17           HE1      TRP  17   4.289  33.517 -20.178
  139    HE3  TRP  17           HE3      TRP  17   1.410  34.907 -15.876
  140    HZ2  TRP  17           HZ2      TRP  17   1.523  32.667 -20.322
  141    HZ3  TRP  17           HZ3      TRP  17  -0.608  33.859 -16.784
  142    HH2  TRP  17           HH2      TRP  17  -0.580  32.709 -18.988
  143    H    LYS  18           H        LYS  18   1.850  37.559 -14.084
  144    HA   LYS  18           HA       LYS  18   3.508  38.415 -11.779
  145   1HB   LYS  18          1HB       LYS  18   0.673  38.599 -12.483
  146   2HB   LYS  18          2HB       LYS  18   0.836  37.696 -10.993
  147   1HG   LYS  18          1HG       LYS  18   2.327  39.644 -10.190
  148   2HG   LYS  18          2HG       LYS  18   1.662  40.551 -11.553
  149   1HD   LYS  18          1HD       LYS  18   0.012  39.181  -9.378
  150   2HD   LYS  18          2HD       LYS  18   0.506  40.866  -9.308
  151   1HE   LYS  18          HE2       LYS  18  -0.862  41.460 -11.216
  152   2HE   LYS  18          HE3       LYS  18  -1.213  39.772 -11.565
  153   1HZ   LYS  18          HZ1       LYS  18  -2.067  41.182  -9.103
  154   2HZ   LYS  18          HZ2       LYS  18  -3.075  40.787 -10.343
  155   3HZ   LYS  18          HZ3       LYS  18  -2.351  39.606  -9.420
  156    H    ARG  19           H        ARG  19   1.532  35.719 -12.847
  157    HA   ARG  19           HA       ARG  19   3.138  33.735 -11.331
  158   1HB   ARG  19          1HB       ARG  19   1.029  34.421 -10.020
  159   2HB   ARG  19          2HB       ARG  19   0.099  33.709 -11.345
  160   1HG   ARG  19          1HG       ARG  19   1.485  31.549 -10.875
  161   2HG   ARG  19          2HG       ARG  19   1.877  32.332  -9.338
  162   1HD   ARG  19          1HD       ARG  19  -0.833  31.496 -10.429
  163   2HD   ARG  19          2HD       ARG  19  -0.028  30.947  -8.954
  164    HE   ARG  19           HE       ARG  19  -0.715  33.834  -9.014
  165   1HH1  ARG  19          1HH1      ARG  19  -1.932  30.697  -8.045
  166   2HH1  ARG  19          2HH1      ARG  19  -3.149  31.405  -7.012
  167   1HH2  ARG  19          1HH2      ARG  19  -2.242  34.672  -7.846
  168   2HH2  ARG  19          2HH2      ARG  19  -3.313  33.676  -6.859
  169    H    ALA  20           H        ALA  20   3.961  32.658 -13.099
  170    HA   ALA  20           HA       ALA  20   2.579  32.300 -15.575
  171   1HB   ALA  20          1HB       ALA  20   4.847  30.674 -14.351
  172   2HB   ALA  20          2HB       ALA  20   4.353  30.658 -16.057
  173   3HB   ALA  20          3HB       ALA  20   5.027  32.135 -15.354
  174    HA   PRO  21           HA       PRO  21  -0.498  29.412 -14.812
  175   1HB   PRO  21          1HB       PRO  21   0.578  27.582 -16.953
  176   2HB   PRO  21          2HB       PRO  21  -1.091  28.190 -16.702
  177   1HG   PRO  21          1HG       PRO  21   0.545  29.320 -18.560
  178   2HG   PRO  21          2HG       PRO  21  -0.513  30.346 -17.535
  179   1HD   PRO  21          1HD       PRO  21   2.439  29.761 -17.233
  180   2HD   PRO  21          2HD       PRO  21   1.559  31.306 -17.054
  181    H    THR  22           H        THR  22  -0.924  28.005 -13.278
  182    HA   THR  22           HA       THR  22   0.665  25.531 -12.949
  183    HB   THR  22           HB       THR  22   1.708  26.999 -11.357
  184    HG1  THR  22           HG1      THR  22  -0.118  25.463  -9.844
  185   1HG2  THR  22          1HG2      THR  22  -0.118  28.673 -11.000
  186   2HG2  THR  22          2HG2      THR  22  -1.005  27.444 -10.058
  187   3HG2  THR  22          3HG2      THR  22   0.567  28.042  -9.492
  188    H    ASP  23           H        ASP  23  -0.513  23.914 -11.650
  189    HA   ASP  23           HA       ASP  23  -3.393  23.967 -12.076
  190   1HB   ASP  23          1HB       ASP  23  -1.917  21.896 -12.066
  191   2HB   ASP  23          2HB       ASP  23  -1.814  22.062 -10.318
  192    H    SER  24           H        SER  24  -4.965  24.073 -10.442
  193    HA   SER  24           HA       SER  24  -4.507  25.915  -8.215
  194   1HB   SER  24          1HB       SER  24  -6.991  25.690  -8.067
  195   2HB   SER  24          2HB       SER  24  -6.457  26.054  -9.720
  196    HG   SER  24           HG       SER  24  -7.732  24.370 -10.102
  197    H    GLY  25           H        GLY  25  -4.711  22.447  -8.581
  198   1HA   GLY  25          1HA       GLY  25  -4.689  20.788  -6.871
  199   2HA   GLY  25          2HA       GLY  25  -5.306  21.952  -5.697
  200    H    HIS  26           H        HIS  26  -7.218  22.716  -8.230
  201    HA   HIS  26           HA       HIS  26  -9.394  20.881  -7.436
  202   1HB   HIS  26          1HB       HIS  26  -9.776  23.060  -9.447
  203   2HB   HIS  26          2HB       HIS  26 -10.886  22.441  -8.254
  204    HD1  HIS  26           HD1      HIS  26 -10.059  25.634  -8.928
  205    HD2  HIS  26           HD2      HIS  26  -8.937  23.194  -5.637
  206    HE1  HIS  26           HE1      HIS  26  -9.489  27.180  -7.039
  207    H    ASP  27           H        ASP  27  -7.012  20.475  -9.567
  208    HA   ASP  27           HA       ASP  27  -6.609  19.639 -11.642
  209   1HB   ASP  27          1HB       ASP  27  -9.399  18.452 -11.569
  210   2HB   ASP  27          2HB       ASP  27  -8.130  18.082 -12.734
  211    H    THR  28           H        THR  28  -7.310  22.232 -11.275
  212    HA   THR  28           HA       THR  28  -8.159  23.040 -13.997
  213    HB   THR  28           HB       THR  28  -9.238  25.036 -13.112
  214    HG1  THR  28           HG1      THR  28  -9.412  25.431 -10.911
  215   1HG2  THR  28          1HG2      THR  28 -10.751  23.087 -13.292
  216   2HG2  THR  28          2HG2      THR  28 -10.339  22.591 -11.648
  217   3HG2  THR  28          3HG2      THR  28 -11.190  24.113 -11.910
  218    H    VAL  29           H        VAL  29  -7.271  25.279 -14.433
  219    HA   VAL  29           HA       VAL  29  -4.456  25.420 -13.489
  220    HB   VAL  29           HB       VAL  29  -5.542  26.245 -16.205
  221   1HG1  VAL  29          1HG1      VAL  29  -2.725  25.714 -15.151
  222   2HG1  VAL  29          2HG1      VAL  29  -3.138  26.090 -16.828
  223   3HG1  VAL  29          3HG1      VAL  29  -3.405  27.304 -15.569
  224   1HG2  VAL  29          1HG2      VAL  29  -4.230  23.638 -15.388
  225   2HG2  VAL  29          2HG2      VAL  29  -5.891  23.819 -15.968
  226   3HG2  VAL  29          3HG2      VAL  29  -4.566  24.163 -17.069
  227    H    VAL  30           H        VAL  30  -3.869  27.212 -12.550
  228    HA   VAL  30           HA       VAL  30  -5.471  29.704 -12.883
  229    HB   VAL  30           HB       VAL  30  -4.600  30.409 -10.681
  230   1HG1  VAL  30          1HG1      VAL  30  -6.237  27.861 -10.726
  231   2HG1  VAL  30          2HG1      VAL  30  -6.094  28.930  -9.318
  232   3HG1  VAL  30          3HG1      VAL  30  -6.827  29.527 -10.814
  233   1HG2  VAL  30          1HG2      VAL  30  -3.659  27.534 -10.344
  234   2HG2  VAL  30          2HG2      VAL  30  -2.624  28.974 -10.479
  235   3HG2  VAL  30          3HG2      VAL  30  -3.701  28.783  -9.088
  236    H    MET  31           H        MET  31  -4.377  31.633 -13.117
  237    HA   MET  31           HA       MET  31  -1.476  31.724 -13.089
  238   1HB   MET  31          1HB       MET  31  -1.016  32.159 -15.356
  239   2HB   MET  31          2HB       MET  31  -2.117  30.792 -15.414
  240   1HG   MET  31          1HG       MET  31  -3.939  32.723 -15.524
  241   2HG   MET  31          2HG       MET  31  -2.622  33.666 -16.160
  242   1HE   MET  31          1HE       MET  31  -4.976  30.796 -16.280
  243   2HE   MET  31          2HE       MET  31  -4.972  30.203 -17.952
  244   3HE   MET  31          3HE       MET  31  -3.679  29.714 -16.845
  245    H    GLU  32           H        GLU  32  -0.738  34.031 -13.680
  246    HA   GLU  32           HA       GLU  32  -2.847  36.044 -13.233
  247   1HB   GLU  32          1HB       GLU  32  -1.990  34.913 -11.043
  248   2HB   GLU  32          2HB       GLU  32  -0.526  35.873 -11.303
  249   1HG   GLU  32          1HG       GLU  32  -1.863  37.921 -11.262
  250   2HG   GLU  32          2HG       GLU  32  -3.337  36.983 -11.063
  251    H    VAL  33           H        VAL  33  -2.297  38.088 -14.022
  252    HA   VAL  33           HA       VAL  33   0.557  38.559 -14.803
  253    HB   VAL  33           HB       VAL  33  -0.184  39.541 -16.939
  254   1HG1  VAL  33          1HG1      VAL  33  -0.974  36.628 -16.773
  255   2HG1  VAL  33          2HG1      VAL  33  -0.076  37.501 -18.052
  256   3HG1  VAL  33          3HG1      VAL  33   0.689  37.170 -16.529
  257   1HG2  VAL  33          1HG2      VAL  33  -2.362  38.978 -17.871
  258   2HG2  VAL  33          2HG2      VAL  33  -2.835  38.158 -16.378
  259   3HG2  VAL  33          3HG2      VAL  33  -2.580  39.920 -16.388
  260    H    ALA  34           H        ALA  34   1.204  40.578 -15.393
  261    HA   ALA  34           HA       ALA  34  -0.314  42.915 -14.349
  262   1HB   ALA  34          1HB       ALA  34   1.978  43.890 -13.836
  263   2HB   ALA  34          2HB       ALA  34   1.503  42.539 -12.789
  264   3HB   ALA  34          3HB       ALA  34   2.660  42.275 -14.105
  265    H    PHE  35           H        PHE  35  -0.076  44.797 -15.672
  266    HA   PHE  35           HA       PHE  35   0.781  44.214 -18.475
  267   1HB   PHE  35          1HB       PHE  35  -1.495  43.477 -18.173
  268   2HB   PHE  35          2HB       PHE  35  -1.929  44.992 -17.386
  269    HD1  PHE  35           HD1      PHE  35  -0.392  43.875 -20.660
  270    HD2  PHE  35           HD2      PHE  35  -3.161  46.482 -18.627
  271    HE1  PHE  35           HE1      PHE  35  -1.043  44.893 -22.811
  272    HE2  PHE  35           HE2      PHE  35  -3.793  47.477 -20.784
  273    HZ   PHE  35           HZ       PHE  35  -2.660  46.791 -22.870
  274    H    SER  36           H        SER  36   1.842  45.771 -19.391
  275    HA   SER  36           HA       SER  36   2.254  48.295 -18.070
  276   1HB   SER  36          1HB       SER  36   3.352  47.770 -20.814
  277   2HB   SER  36          2HB       SER  36   4.089  48.556 -19.426
  278    HG   SER  36           HG       SER  36   3.678  45.770 -19.889
  279    H    GLY  37           H        GLY  37  -0.154  47.475 -20.312
  280   1HA   GLY  37          1HA       GLY  37  -0.134  50.075 -21.745
  281   2HA   GLY  37          2HA       GLY  37  -1.117  48.669 -22.119
  282    H    THR  38           H        THR  38  -3.176  49.391 -22.055
  283    HA   THR  38           HA       THR  38  -4.353  51.453 -20.685
  284    HB   THR  38           HB       THR  38  -6.348  49.478 -21.054
  285    HG1  THR  38           HG1      THR  38  -5.834  48.748 -23.160
  286   1HG2  THR  38          1HG2      THR  38  -6.891  50.725 -23.091
  287   2HG2  THR  38          2HG2      THR  38  -6.491  51.826 -21.765
  288   3HG2  THR  38          3HG2      THR  38  -5.297  51.517 -23.051
  289    H    LYS  39           H        LYS  39  -5.984  51.544 -19.127
  290    HA   LYS  39           HA       LYS  39  -6.472  49.310 -17.310
  291   1HB   LYS  39          1HB       LYS  39  -6.047  52.090 -16.163
  292   2HB   LYS  39          2HB       LYS  39  -6.291  50.590 -15.286
  293   1HG   LYS  39          1HG       LYS  39  -3.791  51.190 -16.932
  294   2HG   LYS  39          2HG       LYS  39  -3.974  51.651 -15.255
  295   1HD   LYS  39          1HD       LYS  39  -3.991  49.462 -14.448
  296   2HD   LYS  39          2HD       LYS  39  -4.349  48.742 -16.021
  297   1HE   LYS  39          HE2       LYS  39  -1.770  50.290 -15.498
  298   2HE   LYS  39          HE3       LYS  39  -1.933  48.570 -15.119
  299   1HZ   LYS  39          HZ1       LYS  39  -2.847  48.627 -17.623
  300   2HZ   LYS  39          HZ2       LYS  39  -1.782  49.821 -17.755
  301   3HZ   LYS  39          HZ3       LYS  39  -1.245  48.343 -17.235
  302    HA   PRO  40           HA       PRO  40  -8.272  48.371 -16.661
  303   1HB   PRO  40          1HB       PRO  40 -10.693  47.408 -17.216
  304   2HB   PRO  40          2HB       PRO  40 -10.517  48.619 -15.911
  305   1HG   PRO  40          1HG       PRO  40 -11.373  49.101 -18.790
  306   2HG   PRO  40          2HG       PRO  40 -12.177  49.670 -17.294
  307   1HD   PRO  40          1HD       PRO  40 -10.354  51.175 -18.750
  308   2HD   PRO  40          2HD       PRO  40 -10.594  51.375 -16.990
  309    H    CYS  41           H        CYS  41  -8.334  46.274 -17.924
  310    HA   CYS  41           HA       CYS  41  -9.537  46.376 -20.557
  311   1HB   CYS  41          1HB       CYS  41  -7.603  45.567 -21.837
  312   2HB   CYS  41          2HB       CYS  41  -7.333  47.174 -21.184
  313    H    ARG  42           H        ARG  42  -9.797  44.308 -21.506
  314    HA   ARG  42           HA       ARG  42 -10.080  42.053 -19.610
  315   1HB   ARG  42          1HB       ARG  42 -11.814  42.729 -21.260
  316   2HB   ARG  42          2HB       ARG  42 -10.720  42.281 -22.583
  317   1HG   ARG  42          1HG       ARG  42 -10.675  39.920 -21.626
  318   2HG   ARG  42          2HG       ARG  42 -11.879  40.440 -20.441
  319   1HD   ARG  42          1HD       ARG  42 -12.144  40.219 -23.455
  320   2HD   ARG  42          2HD       ARG  42 -13.070  39.361 -22.237
  321    HE   ARG  42           HE       ARG  42 -13.242  42.348 -22.617
  322   1HH1  ARG  42          1HH1      ARG  42 -15.221  39.457 -22.028
  323   2HH1  ARG  42          2HH1      ARG  42 -16.659  40.393 -22.435
  324   1HH2  ARG  42          1HH2      ARG  42 -14.980  43.336 -22.871
  325   2HH2  ARG  42          2HH2      ARG  42 -16.556  42.526 -22.705
  326    H    ILE  43           H        ILE  43  -8.716  40.394 -19.497
  327    HA   ILE  43           HA       ILE  43  -6.136  40.684 -20.803
  328    HB   ILE  43           HB       ILE  43  -7.117  38.487 -18.953
  329   1HG1  ILE  43          2HG1      ILE  43  -5.492  41.030 -18.423
  330   2HG1  ILE  43          3HG1      ILE  43  -7.173  40.808 -17.966
  331   1HG2  ILE  43          1HG2      ILE  43  -4.277  39.340 -19.672
  332   2HG2  ILE  43          2HG2      ILE  43  -4.755  37.943 -18.695
  333   3HG2  ILE  43          3HG2      ILE  43  -5.094  37.961 -20.424
  334   1HD1  ILE  43          1HD1      ILE  43  -4.879  39.211 -16.816
  335   2HD1  ILE  43          2HD1      ILE  43  -5.732  40.556 -16.055
  336   3HD1  ILE  43          3HD1      ILE  43  -6.586  39.042 -16.387
  337    HA   PRO  44           HA       PRO  44  -7.674  38.276 -24.324
  338   1HB   PRO  44          1HB       PRO  44  -5.579  38.554 -26.027
  339   2HB   PRO  44          2HB       PRO  44  -6.626  39.936 -25.583
  340   1HG   PRO  44          1HG       PRO  44  -3.943  39.198 -24.388
  341   2HG   PRO  44          2HG       PRO  44  -4.486  40.792 -24.967
  342   1HD   PRO  44          1HD       PRO  44  -4.581  39.969 -22.341
  343   2HD   PRO  44          2HD       PRO  44  -5.767  41.129 -23.035
  344    H    VAL  45           H        VAL  45  -7.642  36.542 -22.811
  345    HA   VAL  45           HA       VAL  45  -5.242  34.822 -22.777
  346    HB   VAL  45           HB       VAL  45  -7.039  35.892 -20.770
  347   1HG1  VAL  45          1HG1      VAL  45  -8.206  33.714 -20.782
  348   2HG1  VAL  45          2HG1      VAL  45  -6.640  32.900 -20.521
  349   3HG1  VAL  45          3HG1      VAL  45  -7.308  33.992 -19.298
  350   1HG2  VAL  45          1HG2      VAL  45  -4.489  35.828 -21.021
  351   2HG2  VAL  45          2HG2      VAL  45  -5.148  35.577 -19.435
  352   3HG2  VAL  45          3HG2      VAL  45  -4.575  34.179 -20.366
  353    H    ARG  46           H        ARG  46  -5.156  32.816 -23.196
  354    HA   ARG  46           HA       ARG  46  -7.462  31.149 -23.902
  355   1HB   ARG  46          1HB       ARG  46  -6.649  30.790 -26.242
  356   2HB   ARG  46          2HB       ARG  46  -7.241  32.432 -25.967
  357   1HG   ARG  46          1HG       ARG  46  -4.867  33.184 -25.661
  358   2HG   ARG  46          2HG       ARG  46  -4.337  31.534 -26.055
  359   1HD   ARG  46          1HD       ARG  46  -5.062  31.747 -28.315
  360   2HD   ARG  46          2HD       ARG  46  -5.945  33.247 -27.962
  361    HE   ARG  46           HE       ARG  46  -3.625  34.160 -27.283
  362   1HH1  ARG  46          1HH1      ARG  46  -3.848  31.929 -30.058
  363   2HH1  ARG  46          2HH1      ARG  46  -2.450  32.690 -30.766
  364   1HH2  ARG  46          1HH2      ARG  46  -1.871  34.943 -28.225
  365   2HH2  ARG  46          2HH2      ARG  46  -1.268  34.362 -29.720
  366    H    ALA  47           H        ALA  47  -6.828  28.976 -24.247
  367    HA   ALA  47           HA       ALA  47  -3.952  28.292 -23.734
  368   1HB   ALA  47          1HB       ALA  47  -4.718  26.250 -22.647
  369   2HB   ALA  47          2HB       ALA  47  -5.279  27.683 -21.749
  370   3HB   ALA  47          3HB       ALA  47  -6.409  26.765 -22.778
  371    H    VAL  48           H        VAL  48  -3.095  27.282 -25.488
  372    HA   VAL  48           HA       VAL  48  -5.055  26.173 -27.465
  373    HB   VAL  48           HB       VAL  48  -3.837  27.060 -29.229
  374   1HG1  VAL  48          1HG1      VAL  48  -4.082  29.460 -28.885
  375   2HG1  VAL  48          2HG1      VAL  48  -5.406  28.601 -28.086
  376   3HG1  VAL  48          3HG1      VAL  48  -4.055  29.259 -27.131
  377   1HG2  VAL  48          1HG2      VAL  48  -1.771  28.086 -27.252
  378   2HG2  VAL  48          2HG2      VAL  48  -1.508  26.880 -28.526
  379   3HG2  VAL  48          3HG2      VAL  48  -1.865  28.565 -28.945
  380    H    ALA  49           H        ALA  49  -4.929  24.090 -27.844
  381    HA   ALA  49           HA       ALA  49  -3.045  22.506 -26.399
  382   1HB   ALA  49          1HB       ALA  49  -5.302  21.753 -26.838
  383   2HB   ALA  49          2HB       ALA  49  -4.999  21.729 -28.596
  384   3HB   ALA  49          3HB       ALA  49  -4.144  20.602 -27.514
  385    H    HIS  50           H        HIS  50  -1.291  21.270 -27.012
  386    HA   HIS  50           HA       HIS  50   0.511  22.406 -28.742
  387   1HB   HIS  50          1HB       HIS  50   0.939  20.847 -26.861
  388   2HB   HIS  50          2HB       HIS  50   0.528  19.488 -27.909
  389    HD1  HIS  50           HD1      HIS  50   3.457  21.084 -26.621
  390    HD2  HIS  50           HD2      HIS  50   2.221  19.751 -30.438
  391    HE1  HIS  50           HE1      HIS  50   5.556  20.917 -28.074
  392    H    GLY  51           H        GLY  51   0.208  22.796 -30.801
  393   1HA   GLY  51          1HA       GLY  51   0.724  21.784 -33.044
  394   2HA   GLY  51          2HA       GLY  51  -0.543  20.611 -32.710
  395    H    ALA  52           H        ALA  52  -2.107  23.052 -31.397
  396    HA   ALA  52           HA       ALA  52  -3.090  24.250 -33.968
  397   1HB   ALA  52          1HB       ALA  52  -4.714  22.957 -31.750
  398   2HB   ALA  52          2HB       ALA  52  -5.373  23.812 -33.163
  399   3HB   ALA  52          3HB       ALA  52  -4.446  22.315 -33.387
  400    HA   PRO  53           HA       PRO  53  -2.320  27.458 -30.728
  401   1HB   PRO  53          1HB       PRO  53  -1.033  29.360 -32.193
  402   2HB   PRO  53          2HB       PRO  53  -0.222  27.894 -31.557
  403   1HG   PRO  53          1HG       PRO  53  -1.407  28.307 -34.325
  404   2HG   PRO  53          2HG       PRO  53   0.233  27.708 -33.907
  405   1HD   PRO  53          1HD       PRO  53  -1.816  26.010 -34.483
  406   2HD   PRO  53          2HD       PRO  53  -0.615  25.606 -33.220
  407    H    ASP  54           H        ASP  54  -4.051  27.486 -33.666
  408    HA   ASP  54           HA       ASP  54  -5.368  30.019 -33.534
  409   1HB   ASP  54          1HB       ASP  54  -6.478  27.560 -34.899
  410   2HB   ASP  54          2HB       ASP  54  -6.472  29.231 -35.452
  411    H    VAL  55           H        VAL  55  -5.840  27.110 -31.735
  412    HA   VAL  55           HA       VAL  55  -8.776  27.571 -31.398
  413    HB   VAL  55           HB       VAL  55  -7.216  24.964 -31.214
  414   1HG1  VAL  55          1HG1      VAL  55 -10.220  25.534 -31.174
  415   2HG1  VAL  55          2HG1      VAL  55  -9.466  23.925 -31.200
  416   3HG1  VAL  55          3HG1      VAL  55  -9.253  24.970 -29.795
  417   1HG2  VAL  55          1HG2      VAL  55  -7.300  25.711 -33.544
  418   2HG2  VAL  55          2HG2      VAL  55  -8.420  24.369 -33.308
  419   3HG2  VAL  55          3HG2      VAL  55  -9.044  26.033 -33.411
  420    H    ASP  56           H        ASP  56  -9.079  28.661 -29.535
  421    HA   ASP  56           HA       ASP  56  -7.595  28.098 -27.110
  422   1HB   ASP  56          1HB       ASP  56  -8.668  30.288 -27.529
  423   2HB   ASP  56          2HB       ASP  56 -10.257  29.522 -27.425
  424    H    VAL  57           H        VAL  57  -7.799  26.381 -25.940
  425    HA   VAL  57           HA       VAL  57 -10.271  24.713 -25.932
  426    HB   VAL  57           HB       VAL  57  -9.008  22.853 -25.284
  427   1HG1  VAL  57          1HG1      VAL  57  -7.252  24.243 -27.340
  428   2HG1  VAL  57          2HG1      VAL  57  -7.516  22.501 -27.127
  429   3HG1  VAL  57          3HG1      VAL  57  -8.838  23.532 -27.698
  430   1HG2  VAL  57          1HG2      VAL  57  -6.614  22.804 -24.840
  431   2HG2  VAL  57          2HG2      VAL  57  -6.508  24.555 -24.962
  432   3HG2  VAL  57          3HG2      VAL  57  -7.433  23.812 -23.644
  433    H    ALA  58           H        ALA  58  -9.075  27.229 -24.123
  434    HA   ALA  58           HA       ALA  58  -9.217  26.188 -21.456
  435   1HB   ALA  58          1HB       ALA  58  -9.318  28.573 -20.841
  436   2HB   ALA  58          2HB       ALA  58  -8.048  28.279 -22.051
  437   3HB   ALA  58          3HB       ALA  58  -9.592  29.017 -22.531
  438    H    MET  59           H        MET  59 -10.940  25.574 -20.296
  439    HA   MET  59           HA       MET  59 -13.587  26.929 -20.700
  440   1HB   MET  59          1HB       MET  59 -12.789  24.472 -19.080
  441   2HB   MET  59          2HB       MET  59 -14.382  25.240 -19.067
  442   1HG   MET  59          1HG       MET  59 -14.560  24.840 -21.529
  443   2HG   MET  59          2HG       MET  59 -13.004  24.009 -21.483
  444   1HE   MET  59          1HE       MET  59 -16.889  22.434 -19.470
  445   2HE   MET  59          2HE       MET  59 -15.912  23.679 -18.675
  446   3HE   MET  59          3HE       MET  59 -16.707  24.034 -20.229
  447    H    LEU  60           H        LEU  60 -13.241  28.963 -19.727
  448    HA   LEU  60           HA       LEU  60 -11.751  29.456 -17.365
  449   1HB   LEU  60          1HB       LEU  60 -14.096  30.939 -18.571
  450   2HB   LEU  60          2HB       LEU  60 -13.174  31.522 -17.204
  451    HG   LEU  60           HG       LEU  60 -11.388  30.768 -19.429
  452   1HD1  LEU  60          1HD1      LEU  60 -13.293  31.488 -20.796
  453   2HD1  LEU  60          2HD1      LEU  60 -13.403  33.007 -19.876
  454   3HD1  LEU  60          3HD1      LEU  60 -11.975  32.664 -20.883
  455   1HD2  LEU  60          1HD2      LEU  60 -10.467  33.016 -18.975
  456   2HD2  LEU  60          2HD2      LEU  60 -11.834  33.355 -17.887
  457   3HD2  LEU  60          3HD2      LEU  60 -10.664  32.087 -17.474
  458    H    ILE  61           H        ILE  61 -12.050  29.105 -15.328
  459    HA   ILE  61           HA       ILE  61 -14.626  28.015 -14.256
  460    HB   ILE  61           HB       ILE  61 -11.819  27.939 -13.112
  461   1HG1  ILE  61          2HG1      ILE  61 -11.753  26.539 -15.029
  462   2HG1  ILE  61          3HG1      ILE  61 -11.825  25.509 -13.629
  463   1HG2  ILE  61          1HG2      ILE  61 -14.318  26.492 -12.161
  464   2HG2  ILE  61          2HG2      ILE  61 -12.670  26.234 -11.544
  465   3HG2  ILE  61          3HG2      ILE  61 -13.454  27.792 -11.318
  466   1HD1  ILE  61          1HD1      ILE  61 -13.231  24.587 -15.369
  467   2HD1  ILE  61          2HD1      ILE  61 -14.295  25.159 -14.077
  468   3HD1  ILE  61          3HD1      ILE  61 -14.097  26.113 -15.569
  469    H    THR  62           H        THR  62 -12.223  30.576 -13.896
  470    HA   THR  62           HA       THR  62 -13.997  31.999 -11.961
  471    HB   THR  62           HB       THR  62 -11.325  31.815 -11.836
  472    HG1  THR  62           HG1      THR  62 -12.387  32.772 -10.269
  473   1HG2  THR  62          1HG2      THR  62 -11.651  34.472 -13.268
  474   2HG2  THR  62          2HG2      THR  62 -10.185  33.754 -12.608
  475   3HG2  THR  62          3HG2      THR  62 -10.974  33.022 -14.036
  476    HA   PRO  63           HA       PRO  63 -15.751  34.446 -15.177
  477   1HB   PRO  63          1HB       PRO  63 -14.850  37.009 -13.892
  478   2HB   PRO  63          2HB       PRO  63 -16.496  36.528 -14.404
  479   1HG   PRO  63          1HG       PRO  63 -15.798  36.494 -11.784
  480   2HG   PRO  63          2HG       PRO  63 -16.762  35.144 -12.475
  481   1HD   PRO  63          1HD       PRO  63 -13.774  35.261 -11.991
  482   2HD   PRO  63          2HD       PRO  63 -14.931  33.959 -11.570
  483    H    ASN  64           H        ASN  64 -15.486  36.082 -16.796
  484    HA   ASN  64           HA       ASN  64 -13.348  36.181 -18.520
  485   1HB   ASN  64          1HB       ASN  64 -15.591  36.797 -19.057
  486   2HB   ASN  64          2HB       ASN  64 -15.620  38.063 -17.831
  487   1HD2  ASN  64          2HD2      ASN  64 -14.040  39.858 -18.152
  488   2HD2  ASN  64          1HD2      ASN  64 -14.062  40.533 -19.782
  489    HA   PRO  65           HA       PRO  65 -10.802  38.266 -15.494
  490   1HB   PRO  65          1HB       PRO  65  -8.302  37.693 -16.392
  491   2HB   PRO  65          2HB       PRO  65  -9.406  36.456 -15.729
  492   1HG   PRO  65          1HG       PRO  65  -8.938  37.138 -18.655
  493   2HG   PRO  65          2HG       PRO  65  -8.897  35.523 -17.873
  494   1HD   PRO  65          1HD       PRO  65 -11.123  36.462 -19.131
  495   2HD   PRO  65          2HD       PRO  65 -11.234  35.474 -17.643
  496    H    THR  66           H        THR  66  -9.671  40.149 -15.119
  497    HA   THR  66           HA       THR  66  -9.133  41.964 -17.404
  498    HB   THR  66           HB       THR  66 -10.113  43.832 -16.070
  499    HG1  THR  66           HG1      THR  66 -11.647  43.237 -14.466
  500   1HG2  THR  66          1HG2      THR  66 -12.473  43.308 -16.555
  501   2HG2  THR  66          2HG2      THR  66 -11.414  42.854 -17.897
  502   3HG2  THR  66          3HG2      THR  66 -12.061  41.605 -16.810
  503    H    MET  67           H        MET  67  -7.634  43.516 -17.119
  504    HA   MET  67           HA       MET  67  -5.959  43.430 -14.653
  505   1HB   MET  67          1HB       MET  67  -5.082  43.104 -17.285
  506   2HB   MET  67          2HB       MET  67  -4.772  44.810 -16.981
  507   1HG   MET  67          1HG       MET  67  -3.915  42.589 -15.065
  508   2HG   MET  67          2HG       MET  67  -2.941  43.103 -16.419
  509   1HE   MET  67          1HE       MET  67  -3.030  43.292 -12.803
  510   2HE   MET  67          2HE       MET  67  -3.010  45.006 -12.323
  511   3HE   MET  67          3HE       MET  67  -4.501  44.282 -12.944
  512    H    GLU  68           H        GLU  68  -6.034  45.203 -13.418
  513    HA   GLU  68           HA       GLU  68  -7.685  47.509 -14.309
  514   1HB   GLU  68          1HB       GLU  68  -7.902  45.839 -11.771
  515   2HB   GLU  68          2HB       GLU  68  -8.780  47.330 -12.057
  516   1HG   GLU  68          1HG       GLU  68  -9.994  46.300 -13.924
  517   2HG   GLU  68          2HG       GLU  68  -9.093  44.787 -13.710
  518    H    ASN  69           H        ASN  69  -7.652  49.181 -12.463
  519    HA   ASN  69           HA       ASN  69  -4.910  49.608 -11.377
  520   1HB   ASN  69          1HB       ASN  69  -5.925  51.902 -10.839
  521   2HB   ASN  69          2HB       ASN  69  -5.636  51.510 -12.534
  522   1HD2  ASN  69          2HD2      ASN  69  -7.198  53.083 -13.289
  523   2HD2  ASN  69          1HD2      ASN  69  -8.909  52.720 -13.073
  524    H    ASN  70           H        ASN  70  -8.236  48.987 -10.448
  525    HA   ASN  70           HA       ASN  70  -7.615  49.061  -7.562
  526   1HB   ASN  70          1HB       ASN  70 -10.032  49.104  -7.273
  527   2HB   ASN  70          2HB       ASN  70  -9.510  50.372  -8.372
  528   1HD2  ASN  70          1HD2      ASN  70  -9.956  50.048 -10.801
  529   2HD2  ASN  70          2HD2      ASN  70 -11.288  48.924 -11.141
  530    H    GLY  71           H        GLY  71  -6.406  46.938  -9.002
  531   1HA   GLY  71          1HA       GLY  71  -6.232  44.739  -7.707
  532   2HA   GLY  71          2HA       GLY  71  -7.922  44.497  -8.164
  533    H    GLY  72           H        GLY  72  -7.430  42.613  -9.308
  534   1HA   GLY  72          1HA       GLY  72  -7.782  41.894 -11.507
  535   2HA   GLY  72          2HA       GLY  72  -6.854  43.250 -12.123
  536    H    GLY  73           H        GLY  73  -6.451  41.149 -13.409
  537   1HA   GLY  73          1HA       GLY  73  -4.420  40.299 -14.315
  538   2HA   GLY  73          2HA       GLY  73  -3.704  40.268 -12.722
  539    H    PHE  74           H        PHE  74  -6.411  38.796 -11.861
  540    HA   PHE  74           HA       PHE  74  -5.064  36.187 -12.115
  541   1HB   PHE  74          1HB       PHE  74  -5.555  37.129  -9.881
  542   2HB   PHE  74          2HB       PHE  74  -7.282  37.101 -10.250
  543    HD1  PHE  74           HD1      PHE  74  -4.246  34.898 -10.014
  544    HD2  PHE  74           HD2      PHE  74  -8.560  35.078  -9.952
  545    HE1  PHE  74           HE1      PHE  74  -4.348  32.470  -9.559
  546    HE2  PHE  74           HE2      PHE  74  -8.646  32.642  -9.475
  547    HZ   PHE  74           HZ       PHE  74  -6.552  31.347  -9.267
  548    H    ILE  75           H        ILE  75  -6.006  34.222 -12.465
  549    HA   ILE  75           HA       ILE  75  -8.497  34.067 -14.077
  550    HB   ILE  75           HB       ILE  75  -5.773  33.125 -14.959
  551   1HG1  ILE  75          2HG1      ILE  75  -7.074  35.780 -15.564
  552   2HG1  ILE  75          3HG1      ILE  75  -5.469  35.464 -14.888
  553   1HG2  ILE  75          1HG2      ILE  75  -8.342  33.426 -16.548
  554   2HG2  ILE  75          2HG2      ILE  75  -6.776  32.867 -17.185
  555   3HG2  ILE  75          3HG2      ILE  75  -7.609  31.900 -15.997
  556   1HD1  ILE  75          1HD1      ILE  75  -4.826  34.489 -17.120
  557   2HD1  ILE  75          2HD1      ILE  75  -6.371  35.167 -17.710
  558   3HD1  ILE  75          3HD1      ILE  75  -5.126  36.237 -17.047
  559    H    GLU  76           H        GLU  76  -9.400  31.987 -14.034
  560    HA   GLU  76           HA       GLU  76  -7.707  29.687 -13.467
  561   1HB   GLU  76          1HB       GLU  76  -8.923  30.203 -11.303
  562   2HB   GLU  76          2HB       GLU  76 -10.438  29.857 -12.146
  563   1HG   GLU  76          1HG       GLU  76  -9.695  27.575 -12.667
  564   2HG   GLU  76          2HG       GLU  76  -8.121  27.884 -11.990
  565    H    MET  77           H        MET  77  -8.105  28.072 -14.894
  566    HA   MET  77           HA       MET  77 -10.647  27.866 -16.382
  567   1HB   MET  77          1HB       MET  77  -9.346  27.661 -18.532
  568   2HB   MET  77          2HB       MET  77  -9.412  29.291 -17.860
  569   1HG   MET  77          1HG       MET  77  -7.159  29.173 -17.053
  570   2HG   MET  77          2HG       MET  77  -7.084  27.438 -17.309
  571   1HE   MET  77          1HE       MET  77  -8.321  30.339 -19.863
  572   2HE   MET  77          2HE       MET  77  -6.969  30.973 -18.901
  573   3HE   MET  77          3HE       MET  77  -6.749  30.632 -20.633
  574    H    GLN  78           H        GLN  78 -10.847  25.746 -17.507
  575    HA   GLN  78           HA       GLN  78  -8.906  23.669 -16.564
  576   1HB   GLN  78          1HB       GLN  78 -11.121  23.526 -15.466
  577   2HB   GLN  78          2HB       GLN  78 -11.879  23.268 -17.045
  578   1HG   GLN  78          1HG       GLN  78 -10.678  21.170 -17.340
  579   2HG   GLN  78          2HG       GLN  78  -9.652  21.497 -15.935
  580   1HE2  GLN  78          2HE2      GLN  78 -10.230  20.307 -14.115
  581   2HE2  GLN  78          1HE2      GLN  78 -11.909  19.793 -13.850
  582    H    LEU  79           H        LEU  79  -8.457  21.941 -17.964
  583    HA   LEU  79           HA       LEU  79  -8.678  22.559 -20.852
  584   1HB   LEU  79          1HB       LEU  79  -6.170  22.428 -19.117
  585   2HB   LEU  79          2HB       LEU  79  -6.154  22.331 -20.868
  586    HG   LEU  79           HG       LEU  79  -7.212  24.666 -20.904
  587   1HD1  LEU  79          1HD1      LEU  79  -6.126  25.784 -18.576
  588   2HD1  LEU  79          2HD1      LEU  79  -7.836  25.563 -18.911
  589   3HD1  LEU  79          3HD1      LEU  79  -6.942  24.354 -17.962
  590   1HD2  LEU  79          1HD2      LEU  79  -4.919  24.209 -21.449
  591   2HD2  LEU  79          2HD2      LEU  79  -4.961  25.668 -20.448
  592   3HD2  LEU  79          3HD2      LEU  79  -4.465  24.129 -19.727
  593    HA   PRO  80           HA       PRO  80  -8.234  18.057 -21.402
  594   1HB   PRO  80          1HB       PRO  80  -6.377  18.834 -23.650
  595   2HB   PRO  80          2HB       PRO  80  -7.729  17.665 -23.647
  596   1HG   PRO  80          1HG       PRO  80  -8.037  20.121 -24.743
  597   2HG   PRO  80          2HG       PRO  80  -9.340  19.430 -23.716
  598   1HD   PRO  80          1HD       PRO  80  -7.187  21.415 -22.930
  599   2HD   PRO  80          2HD       PRO  80  -8.952  21.470 -22.620
  600    HA   PRO  81           HA       PRO  81  -4.245  17.323 -19.196
  601   1HB   PRO  81          1HB       PRO  81  -5.181  14.518 -19.736
  602   2HB   PRO  81          2HB       PRO  81  -4.426  15.205 -18.258
  603   1HG   PRO  81          1HG       PRO  81  -7.100  14.853 -18.336
  604   2HG   PRO  81          2HG       PRO  81  -6.432  16.394 -17.699
  605   1HD   PRO  81          1HD       PRO  81  -7.526  15.833 -20.470
  606   2HD   PRO  81          2HD       PRO  81  -7.880  17.205 -19.372
  607    H    GLY  82           H        GLY  82  -2.311  17.332 -20.023
  608   1HA   GLY  82          1HA       GLY  82  -0.752  16.301 -21.836
  609   2HA   GLY  82          2HA       GLY  82  -2.057  16.765 -22.941
  610    H    ASP  83           H        ASP  83  -0.179  18.043 -23.890
  611    HA   ASP  83           HA       ASP  83   0.649  20.402 -22.339
  612   1HB   ASP  83          1HB       ASP  83   2.306  19.089 -23.578
  613   2HB   ASP  83          2HB       ASP  83   1.492  19.472 -25.095
  614    H    ASN  84           H        ASN  84  -0.296  22.243 -22.397
  615    HA   ASN  84           HA       ASN  84  -1.748  23.200 -24.819
  616   1HB   ASN  84          1HB       ASN  84  -2.640  23.660 -21.947
  617   2HB   ASN  84          2HB       ASN  84  -3.462  24.175 -23.422
  618   1HD2  ASN  84          2HD2      ASN  84  -2.779  21.382 -21.318
  619   2HD2  ASN  84          1HD2      ASN  84  -4.107  20.421 -21.967
  620    H    ILE  85           H        ILE  85  -0.946  25.134 -25.490
  621    HA   ILE  85           HA       ILE  85   1.058  26.492 -23.770
  622    HB   ILE  85           HB       ILE  85   0.315  27.018 -26.668
  623   1HG1  ILE  85          2HG1      ILE  85   2.951  26.032 -26.539
  624   2HG1  ILE  85          3HG1      ILE  85   2.114  25.024 -25.372
  625   1HG2  ILE  85          1HG2      ILE  85   1.236  29.004 -25.564
  626   2HG2  ILE  85          2HG2      ILE  85   2.593  28.050 -24.920
  627   3HG2  ILE  85          3HG2      ILE  85   2.431  28.320 -26.670
  628   1HD1  ILE  85          1HD1      ILE  85   1.348  25.440 -28.296
  629   2HD1  ILE  85          2HD1      ILE  85   2.069  23.985 -27.577
  630   3HD1  ILE  85          3HD1      ILE  85   0.417  24.454 -27.144
  631    H    ILE  86           H        ILE  86   0.387  28.007 -22.423
  632    HA   ILE  86           HA       ILE  86  -2.315  29.185 -22.865
  633    HB   ILE  86           HB       ILE  86  -0.744  29.062 -20.296
  634   1HG1  ILE  86          2HG1      ILE  86  -2.891  27.267 -21.494
  635   2HG1  ILE  86          3HG1      ILE  86  -1.281  26.821 -20.957
  636   1HG2  ILE  86          1HG2      ILE  86  -2.375  30.948 -20.452
  637   2HG2  ILE  86          2HG2      ILE  86  -3.652  29.797 -20.913
  638   3HG2  ILE  86          3HG2      ILE  86  -2.904  29.727 -19.308
  639   1HD1  ILE  86          1HD1      ILE  86  -1.971  27.351 -18.600
  640   2HD1  ILE  86          2HD1      ILE  86  -3.640  27.554 -19.195
  641   3HD1  ILE  86          3HD1      ILE  86  -2.826  25.995 -19.349
  642    H    TYR  87           H        TYR  87  -2.522  31.108 -23.540
  643    HA   TYR  87           HA       TYR  87  -0.154  32.920 -23.656
  644   1HB   TYR  87          1HB       TYR  87  -2.655  32.626 -25.298
  645   2HB   TYR  87          2HB       TYR  87  -1.744  34.111 -25.323
  646    HD1  TYR  87           HD1      TYR  87   0.378  34.307 -26.320
  647    HD2  TYR  87           HD2      TYR  87  -1.641  30.514 -26.257
  648    HE1  TYR  87           HE1      TYR  87   1.847  33.518 -28.165
  649    HE2  TYR  87           HE2      TYR  87  -0.085  29.658 -28.002
  650    HH   TYR  87           HH       TYR  87   1.506  30.225 -29.514
  651    H    VAL  88           H        VAL  88  -0.224  34.890 -23.016
  652    HA   VAL  88           HA       VAL  88  -2.763  36.219 -22.249
  653    HB   VAL  88           HB       VAL  88  -0.046  36.517 -20.910
  654   1HG1  VAL  88          1HG1      VAL  88  -1.153  38.367 -19.645
  655   2HG1  VAL  88          2HG1      VAL  88  -1.007  38.709 -21.351
  656   3HG1  VAL  88          3HG1      VAL  88  -2.572  38.215 -20.703
  657   1HG2  VAL  88          1HG2      VAL  88  -1.828  34.706 -20.130
  658   2HG2  VAL  88          2HG2      VAL  88  -1.050  35.734 -18.950
  659   3HG2  VAL  88          3HG2      VAL  88  -2.691  36.114 -19.480
  660    H    GLY  89           H        GLY  89  -3.062  36.863 -24.342
  661   1HA   GLY  89          1HA       GLY  89  -2.762  38.193 -26.214
  662   2HA   GLY  89          2HA       GLY  89  -1.322  38.904 -25.448
  663    H    GLU  90           H        GLU  90   0.584  38.438 -26.362
  664    HA   GLU  90           HA       GLU  90   0.899  35.823 -27.788
  665   1HB   GLU  90          1HB       GLU  90   1.221  38.382 -28.875
  666   2HB   GLU  90          2HB       GLU  90   2.863  37.866 -28.515
  667   1HG   GLU  90          1HG       GLU  90   2.264  37.193 -30.776
  668   2HG   GLU  90          2HG       GLU  90   2.477  35.754 -29.777
  669    H    LEU  91           H        LEU  91   1.852  37.558 -25.062
  670    HA   LEU  91           HA       LEU  91   4.321  36.130 -24.443
  671   1HB   LEU  91          1HB       LEU  91   3.680  38.252 -23.310
  672   2HB   LEU  91          2HB       LEU  91   2.188  37.509 -22.756
  673    HG   LEU  91           HG       LEU  91   3.552  35.863 -21.408
  674   1HD1  LEU  91          1HD1      LEU  91   5.814  37.748 -22.214
  675   2HD1  LEU  91          2HD1      LEU  91   5.899  36.596 -20.867
  676   3HD1  LEU  91          3HD1      LEU  91   5.722  35.998 -22.522
  677   1HD2  LEU  91          1HD2      LEU  91   3.912  38.818 -20.807
  678   2HD2  LEU  91          2HD2      LEU  91   2.487  37.826 -20.406
  679   3HD2  LEU  91          3HD2      LEU  91   4.038  37.490 -19.629
  680    H    LYS  92           H        LYS  92   4.414  34.067 -23.542
  681    HA   LYS  92           HA       LYS  92   1.870  32.618 -23.047
  682   1HB   LYS  92          1HB       LYS  92   2.332  30.940 -24.653
  683   2HB   LYS  92          2HB       LYS  92   2.547  32.482 -25.454
  684   1HG   LYS  92          1HG       LYS  92   5.121  32.137 -24.845
  685   2HG   LYS  92          2HG       LYS  92   4.631  30.452 -24.631
  686   1HD   LYS  92          1HD       LYS  92   5.362  30.572 -26.879
  687   2HD   LYS  92          2HD       LYS  92   3.595  30.618 -26.991
  688   1HE   LYS  92          HE2       LYS  92   3.849  33.206 -26.960
  689   2HE   LYS  92          HE3       LYS  92   5.575  32.937 -27.207
  690   1HZ   LYS  92          HZ1       LYS  92   3.420  31.964 -29.000
  691   2HZ   LYS  92          HZ2       LYS  92   4.349  33.294 -29.279
  692   3HZ   LYS  92          HZ3       LYS  92   5.035  31.793 -29.271
  693    H    HIS  93           H        HIS  93   2.225  30.373 -22.292
  694    HA   HIS  93           HA       HIS  93   4.931  29.617 -21.535
  695   1HB   HIS  93          1HB       HIS  93   4.024  30.824 -19.493
  696   2HB   HIS  93          2HB       HIS  93   2.762  29.594 -19.409
  697    HD1  HIS  93           HD1      HIS  93   3.550  27.210 -18.352
  698    HD2  HIS  93           HD2      HIS  93   6.645  29.945 -19.205
  699    HE1  HIS  93           HE1      HIS  93   5.657  26.240 -17.365
  700    H    GLN  94           H        GLN  94   5.135  27.322 -21.256
  701    HA   GLN  94           HA       GLN  94   3.121  25.693 -22.649
  702   1HB   GLN  94          1HB       GLN  94   5.605  25.567 -23.066
  703   2HB   GLN  94          2HB       GLN  94   5.816  24.957 -21.417
  704   1HG   GLN  94          1HG       GLN  94   4.347  23.007 -21.994
  705   2HG   GLN  94          2HG       GLN  94   4.163  23.677 -23.627
  706   1HE2  GLN  94          2HE2      GLN  94   5.000  21.588 -24.419
  707   2HE2  GLN  94          1HE2      GLN  94   6.774  21.359 -24.341
  708    H    TRP  95           H        TRP  95   1.441  24.695 -21.498
  709    HA   TRP  95           HA       TRP  95   1.942  24.083 -18.621
  710   1HB   TRP  95          1HB       TRP  95   0.324  25.841 -18.797
  711   2HB   TRP  95          2HB       TRP  95  -0.605  24.915 -19.985
  712    HD1  TRP  95           HD1      TRP  95  -2.459  23.514 -19.132
  713    HE1  TRP  95           HE1      TRP  95  -3.134  22.370 -16.878
  714    HE3  TRP  95           HE3      TRP  95   1.583  24.826 -16.273
  715    HZ2  TRP  95           HZ2      TRP  95  -1.899  21.773 -14.424
  716    HZ3  TRP  95           HZ3      TRP  95   1.902  23.789 -14.051
  717    HH2  TRP  95           HH2      TRP  95   0.195  22.234 -13.127
  718    H    PHE  96           H        PHE  96   2.267  22.078 -18.280
  719    HA   PHE  96           HA       PHE  96   1.097  19.898 -19.864
  720   1HB   PHE  96          1HB       PHE  96   2.895  19.814 -17.411
  721   2HB   PHE  96          2HB       PHE  96   2.481  18.468 -18.466
  722    HD1  PHE  96           HD1      PHE  96   3.414  18.350 -20.792
  723    HD2  PHE  96           HD2      PHE  96   4.569  21.469 -18.043
  724    HE1  PHE  96           HE1      PHE  96   5.396  18.870 -22.199
  725    HE2  PHE  96           HE2      PHE  96   6.530  21.995 -19.466
  726    HZ   PHE  96           HZ       PHE  96   6.965  20.677 -21.521
  727    H    GLN  97           H        GLN  97  -1.041  19.847 -19.482
  728    HA   GLN  97           HA       GLN  97  -2.232  20.429 -16.917
  729   1HB   GLN  97          1HB       GLN  97  -3.226  21.140 -19.029
  730   2HB   GLN  97          2HB       GLN  97  -3.239  19.494 -19.625
  731   1HG   GLN  97          1HG       GLN  97  -5.442  20.303 -19.106
  732   2HG   GLN  97          2HG       GLN  97  -5.057  18.875 -18.168
  733   1HE2  GLN  97          2HE2      GLN  97  -7.129  19.963 -17.286
  734   2HE2  GLN  97          1HE2      GLN  97  -6.685  20.559 -15.676
  735    H    LYS  98           H        LYS  98  -3.288  19.205 -15.492
  736    HA   LYS  98           HA       LYS  98  -3.391  16.260 -15.891
  737   1HB   LYS  98          1HB       LYS  98  -3.020  15.835 -13.590
  738   2HB   LYS  98          2HB       LYS  98  -1.659  16.768 -14.191
  739   1HG   LYS  98          1HG       LYS  98  -2.163  18.631 -12.883
  740   2HG   LYS  98          2HG       LYS  98  -3.894  18.294 -12.877
  741   1HD   LYS  98          1HD       LYS  98  -3.527  16.350 -11.361
  742   2HD   LYS  98          2HD       LYS  98  -1.800  16.737 -11.307
  743   1HE   LYS  98          HE2       LYS  98  -2.997  17.556  -9.312
  744   2HE   LYS  98          HE3       LYS  98  -2.287  18.891 -10.241
  745   1HZ   LYS  98          HZ1       LYS  98  -4.424  19.318 -11.212
  746   2HZ   LYS  98          HZ2       LYS  98  -5.154  18.068 -10.397
  747   3HZ   LYS  98          HZ3       LYS  98  -4.538  19.457  -9.641
  748    H    GLY  99           H        GLY  99  -5.197  15.176 -14.970
  749   1HA   GLY  99          1HA       GLY  99  -7.462  15.801 -13.718
  750   2HA   GLY  99          2HA       GLY  99  -7.659  16.670 -15.255
  Start of MODEL    7
    1   1H    ILE   1           H1       ILE   1 -10.904  45.148  -8.543
    2   2H    ILE   1           H2       ILE   1 -11.084  44.913 -10.185
    3   3H    ILE   1           H3       ILE   1 -12.022  45.987  -9.365
    4    HA   ILE   1           HA       ILE   1 -11.999  43.071  -9.007
    5    HB   ILE   1           HB       ILE   1 -14.099  43.402  -7.698
    6   1HG1  ILE   1          2HG1      ILE   1 -14.306  45.475  -6.376
    7   2HG1  ILE   1          3HG1      ILE   1 -13.129  46.290  -7.393
    8   1HG2  ILE   1          1HG2      ILE   1 -12.826  43.737  -5.654
    9   2HG2  ILE   1          2HG2      ILE   1 -11.866  42.796  -6.795
   10   3HG2  ILE   1          3HG2      ILE   1 -11.508  44.522  -6.533
   11   1HD1  ILE   1          1HD1      ILE   1 -14.665  46.310  -9.258
   12   2HD1  ILE   1          2HD1      ILE   1 -15.760  45.155  -8.445
   13   3HD1  ILE   1          3HD1      ILE   1 -15.571  46.810  -7.833
   14    H    SER   2           H        SER   2 -13.153  45.613 -11.102
   15    HA   SER   2           HA       SER   2 -15.591  44.328 -11.924
   16   1HB   SER   2          1HB       SER   2 -15.733  46.106 -13.512
   17   2HB   SER   2          2HB       SER   2 -15.299  46.739 -11.927
   18    HG   SER   2           HG       SER   2 -12.953  46.616 -12.833
   19    H    LYS   3           H        LYS   3 -15.192  42.276 -12.585
   20    HA   LYS   3           HA       LYS   3 -13.364  41.505 -14.753
   21   1HB   LYS   3          1HB       LYS   3 -15.731  40.056 -13.524
   22   2HB   LYS   3          2HB       LYS   3 -14.539  39.347 -14.600
   23   1HG   LYS   3          1HG       LYS   3 -13.999  40.392 -11.790
   24   2HG   LYS   3          2HG       LYS   3 -14.172  38.725 -12.272
   25   1HD   LYS   3          1HD       LYS   3 -11.994  38.567 -12.595
   26   2HD   LYS   3          2HD       LYS   3 -12.091  39.686 -13.944
   27   1HE   LYS   3          HE2       LYS   3 -11.745  40.495 -11.012
   28   2HE   LYS   3          HE3       LYS   3 -10.401  40.281 -12.147
   29   1HZ   LYS   3          HZ1       LYS   3 -12.610  42.199 -12.497
   30   2HZ   LYS   3          HZ2       LYS   3 -11.119  42.676 -12.023
   31   3HZ   LYS   3          HZ3       LYS   3 -11.328  42.056 -13.511
   32    H    GLY   4           H        GLY   4 -14.515  43.645 -15.699
   33   1HA   GLY   4          1HA       GLY   4 -17.022  43.791 -16.783
   34   2HA   GLY   4          2HA       GLY   4 -15.625  44.654 -17.406
   35    H    LEU   5           H        LEU   5 -17.889  42.121 -17.966
   36    HA   LEU   5           HA       LEU   5 -16.909  40.884 -20.306
   37   1HB   LEU   5          1HB       LEU   5 -19.692  41.492 -19.252
   38   2HB   LEU   5          2HB       LEU   5 -19.473  40.816 -20.855
   39    HG   LEU   5           HG       LEU   5 -18.178  38.901 -19.863
   40   1HD1  LEU   5          1HD1      LEU   5 -17.621  39.830 -17.654
   41   2HD1  LEU   5          2HD1      LEU   5 -19.343  39.974 -17.250
   42   3HD1  LEU   5          3HD1      LEU   5 -18.600  38.376 -17.476
   43   1HD2  LEU   5          1HD2      LEU   5 -20.237  37.739 -19.133
   44   2HD2  LEU   5          2HD2      LEU   5 -21.072  39.301 -18.986
   45   3HD2  LEU   5          3HD2      LEU   5 -20.529  38.719 -20.576
   46    H    THR   6           H        THR   6 -17.779  44.217 -19.973
   47    HA   THR   6           HA       THR   6 -18.205  44.618 -22.875
   48    HB   THR   6           HB       THR   6 -18.741  46.961 -22.088
   49    HG1  THR   6           HG1      THR   6 -19.129  47.125 -19.844
   50   1HG2  THR   6          1HG2      THR   6 -20.522  45.273 -22.476
   51   2HG2  THR   6          2HG2      THR   6 -20.385  44.747 -20.783
   52   3HG2  THR   6          3HG2      THR   6 -20.931  46.393 -21.166
   53    H    TYR   7           H        TYR   7 -15.504  44.697 -20.710
   54    HA   TYR   7           HA       TYR   7 -14.292  47.111 -21.783
   55   1HB   TYR   7          1HB       TYR   7 -13.057  44.785 -20.270
   56   2HB   TYR   7          2HB       TYR   7 -12.276  46.325 -20.601
   57    HD1  TYR   7           HD1      TYR   7 -15.384  47.624 -19.885
   58    HD2  TYR   7           HD2      TYR   7 -12.218  45.404 -17.962
   59    HE1  TYR   7           HE1      TYR   7 -16.091  48.502 -17.688
   60    HE2  TYR   7           HE2      TYR   7 -12.962  46.274 -15.752
   61    HH   TYR   7           HH       TYR   7 -14.490  47.562 -14.620
   62    H    THR   8           H        THR   8 -12.589  47.366 -23.286
   63    HA   THR   8           HA       THR   8 -12.488  45.400 -25.416
   64    HB   THR   8           HB       THR   8 -10.740  47.042 -26.314
   65    HG1  THR   8           HG1      THR   8 -10.714  49.037 -25.268
   66   1HG2  THR   8          1HG2      THR   8 -12.422  48.724 -26.920
   67   2HG2  THR   8          2HG2      THR   8 -13.119  47.097 -27.000
   68   3HG2  THR   8          3HG2      THR   8 -13.495  48.155 -25.623
   69    H    MET   9           H        MET   9 -10.419  44.639 -26.299
   70    HA   MET   9           HA       MET   9  -9.119  43.000 -24.357
   71   1HB   MET   9          1HB       MET   9  -8.229  43.518 -27.218
   72   2HB   MET   9          2HB       MET   9  -7.870  42.110 -26.217
   73   1HG   MET   9          1HG       MET   9 -10.565  42.926 -27.366
   74   2HG   MET   9          2HG       MET   9  -9.580  41.568 -27.870
   75   1HE   MET   9          1HE       MET   9 -10.173  38.846 -25.267
   76   2HE   MET   9          2HE       MET   9  -9.714  39.237 -26.939
   77   3HE   MET   9          3HE       MET   9  -8.747  39.860 -25.582
   78    H    CYS  10           H        CYS  10  -7.190  43.198 -23.314
   79    HA   CYS  10           HA       CYS  10  -5.619  45.615 -23.347
   80   1HB   CYS  10          1HB       CYS  10  -4.787  42.811 -22.573
   81   2HB   CYS  10          2HB       CYS  10  -3.979  44.278 -22.098
   82    H    ASP  11           H        ASP  11  -3.437  45.875 -24.121
   83    HA   ASP  11           HA       ASP  11  -2.749  45.054 -26.750
   84   1HB   ASP  11          1HB       ASP  11  -1.890  47.072 -25.721
   85   2HB   ASP  11          2HB       ASP  11  -1.143  46.163 -24.417
   86    H    LYS  12           H        LYS  12  -1.792  43.265 -27.524
   87    HA   LYS  12           HA       LYS  12  -1.593  40.947 -25.883
   88   1HB   LYS  12          1HB       LYS  12  -0.748  41.445 -28.766
   89   2HB   LYS  12          2HB       LYS  12  -0.758  39.850 -28.003
   90   1HG   LYS  12          1HG       LYS  12  -3.225  40.261 -27.450
   91   2HG   LYS  12          2HG       LYS  12  -3.157  41.625 -28.565
   92   1HD   LYS  12          1HD       LYS  12  -2.581  38.694 -29.254
   93   2HD   LYS  12          2HD       LYS  12  -4.070  39.573 -29.573
   94   1HE   LYS  12          HE2       LYS  12  -3.058  39.642 -31.631
   95   2HE   LYS  12          HE3       LYS  12  -2.634  41.221 -30.960
   96   1HZ   LYS  12          HZ1       LYS  12  -0.881  38.799 -30.971
   97   2HZ   LYS  12          HZ2       LYS  12  -0.738  40.063 -32.004
   98   3HZ   LYS  12          HZ3       LYS  12  -0.450  40.266 -30.392
   99    H    ALA  13           H        ALA  13   0.794  43.327 -26.165
  100    HA   ALA  13           HA       ALA  13   3.016  41.369 -25.701
  101   1HB   ALA  13          1HB       ALA  13   3.050  42.355 -27.947
  102   2HB   ALA  13          2HB       ALA  13   3.008  43.989 -27.249
  103   3HB   ALA  13          3HB       ALA  13   4.418  42.937 -26.978
  104    H    LYS  14           H        LYS  14   1.562  44.407 -24.596
  105    HA   LYS  14           HA       LYS  14   3.758  45.244 -22.922
  106   1HB   LYS  14          1HB       LYS  14   0.780  45.826 -22.866
  107   2HB   LYS  14          2HB       LYS  14   1.861  46.541 -21.718
  108   1HG   LYS  14          1HG       LYS  14   1.305  47.325 -24.474
  109   2HG   LYS  14          2HG       LYS  14   1.771  48.250 -23.087
  110   1HD   LYS  14          1HD       LYS  14   3.523  48.657 -24.499
  111   2HD   LYS  14          2HD       LYS  14   4.181  47.372 -23.504
  112   1HE   LYS  14          HE2       LYS  14   4.779  46.904 -25.770
  113   2HE   LYS  14          HE3       LYS  14   3.533  45.732 -25.346
  114   1HZ   LYS  14          HZ1       LYS  14   3.213  46.782 -27.550
  115   2HZ   LYS  14          HZ2       LYS  14   1.913  47.006 -26.601
  116   3HZ   LYS  14          HZ3       LYS  14   2.967  48.238 -26.824
  117    H    PHE  15           H        PHE  15   2.302  42.402 -22.449
  118    HA   PHE  15           HA       PHE  15   1.706  42.520 -19.577
  119   1HB   PHE  15          1HB       PHE  15   1.552  40.399 -21.739
  120   2HB   PHE  15          2HB       PHE  15   1.411  39.952 -20.052
  121    HD1  PHE  15           HD1      PHE  15  -0.307  41.062 -18.563
  122    HD2  PHE  15           HD2      PHE  15  -0.397  41.255 -22.874
  123    HE1  PHE  15           HE1      PHE  15  -2.746  41.543 -18.494
  124    HE2  PHE  15           HE2      PHE  15  -2.806  41.740 -22.803
  125    HZ   PHE  15           HZ       PHE  15  -3.994  41.867 -20.595
  126    H    THR  16           H        THR  16   2.486  41.090 -18.042
  127    HA   THR  16           HA       THR  16   5.067  39.696 -18.444
  128    HB   THR  16           HB       THR  16   5.841  40.525 -16.231
  129    HG1  THR  16           HG1      THR  16   3.490  42.075 -16.456
  130   1HG2  THR  16          1HG2      THR  16   6.640  41.637 -18.319
  131   2HG2  THR  16          2HG2      THR  16   5.341  42.840 -18.147
  132   3HG2  THR  16          3HG2      THR  16   6.602  42.715 -16.908
  133    H    TRP  17           H        TRP  17   5.156  37.750 -17.354
  134    HA   TRP  17           HA       TRP  17   2.801  36.669 -16.035
  135   1HB   TRP  17          1HB       TRP  17   5.622  35.634 -16.438
  136   2HB   TRP  17          2HB       TRP  17   4.406  34.775 -15.513
  137    HD1  TRP  17           HD1      TRP  17   5.856  34.571 -18.719
  138    HE1  TRP  17           HE1      TRP  17   4.372  33.299 -20.398
  139    HE3  TRP  17           HE3      TRP  17   1.390  34.805 -16.192
  140    HZ2  TRP  17           HZ2      TRP  17   1.582  32.583 -20.648
  141    HZ3  TRP  17           HZ3      TRP  17  -0.651  33.833 -17.194
  142    HH2  TRP  17           HH2      TRP  17  -0.567  32.709 -19.399
  143    H    LYS  18           H        LYS  18   2.237  37.389 -14.087
  144    HA   LYS  18           HA       LYS  18   4.245  38.084 -12.006
  145   1HB   LYS  18          1HB       LYS  18   2.015  39.346 -12.421
  146   2HB   LYS  18          2HB       LYS  18   1.224  37.932 -11.716
  147   1HG   LYS  18          1HG       LYS  18   2.941  38.341  -9.729
  148   2HG   LYS  18          2HG       LYS  18   3.084  39.960 -10.423
  149   1HD   LYS  18          1HD       LYS  18   0.501  38.593  -9.602
  150   2HD   LYS  18          2HD       LYS  18   1.384  39.693  -8.562
  151   1HE   LYS  18          HE2       LYS  18   0.548  41.526  -9.507
  152   2HE   LYS  18          HE3       LYS  18   0.861  40.956 -11.153
  153   1HZ   LYS  18          HZ1       LYS  18  -1.365  39.705  -9.725
  154   2HZ   LYS  18          HZ2       LYS  18  -1.581  41.263 -10.236
  155   3HZ   LYS  18          HZ3       LYS  18  -1.198  40.117 -11.342
  156    H    ARG  19           H        ARG  19   1.878  35.627 -12.838
  157    HA   ARG  19           HA       ARG  19   3.279  33.559 -11.224
  158   1HB   ARG  19          1HB       ARG  19   1.279  34.513  -9.949
  159   2HB   ARG  19          2HB       ARG  19   0.273  33.909 -11.269
  160   1HG   ARG  19          1HG       ARG  19   1.194  31.582 -10.755
  161   2HG   ARG  19          2HG       ARG  19   1.813  32.291  -9.250
  162   1HD   ARG  19          1HD       ARG  19  -1.080  32.187 -10.226
  163   2HD   ARG  19          2HD       ARG  19  -0.407  31.290  -8.875
  164    HE   ARG  19           HE       ARG  19  -1.061  34.233  -8.937
  165   1HH1  ARG  19          1HH1      ARG  19   0.058  31.586  -6.919
  166   2HH1  ARG  19          2HH1      ARG  19  -0.216  32.512  -5.463
  167   1HH2  ARG  19          1HH2      ARG  19  -1.341  35.298  -7.244
  168   2HH2  ARG  19          2HH2      ARG  19  -1.036  34.656  -5.620
  169    H    ALA  20           H        ALA  20   4.046  32.448 -13.016
  170    HA   ALA  20           HA       ALA  20   2.650  32.180 -15.483
  171   1HB   ALA  20          1HB       ALA  20   4.830  30.441 -14.249
  172   2HB   ALA  20          2HB       ALA  20   4.324  30.412 -15.948
  173   3HB   ALA  20          3HB       ALA  20   5.074  31.873 -15.282
  174    HA   PRO  21           HA       PRO  21  -0.518  29.225 -14.838
  175   1HB   PRO  21          1HB       PRO  21   0.694  27.620 -17.090
  176   2HB   PRO  21          2HB       PRO  21  -1.023  28.046 -16.781
  177   1HG   PRO  21          1HG       PRO  21   0.448  29.473 -18.558
  178   2HG   PRO  21          2HG       PRO  21  -0.661  30.307 -17.428
  179   1HD   PRO  21          1HD       PRO  21   2.333  30.016 -17.252
  180   2HD   PRO  21          2HD       PRO  21   1.295  31.416 -16.873
  181    H    THR  22           H        THR  22  -0.745  27.917 -13.233
  182    HA   THR  22           HA       THR  22   0.826  25.397 -13.050
  183    HB   THR  22           HB       THR  22   1.842  26.787 -11.370
  184    HG1  THR  22           HG1      THR  22  -0.077  25.225  -9.965
  185   1HG2  THR  22          1HG2      THR  22   0.067  28.503 -11.035
  186   2HG2  THR  22          2HG2      THR  22  -0.916  27.281 -10.188
  187   3HG2  THR  22          3HG2      THR  22   0.637  27.803  -9.510
  188    H    ASP  23           H        ASP  23  -0.323  23.714 -11.967
  189    HA   ASP  23           HA       ASP  23  -3.210  23.717 -12.131
  190   1HB   ASP  23          1HB       ASP  23  -1.685  21.672 -12.172
  191   2HB   ASP  23          2HB       ASP  23  -1.452  21.901 -10.444
  192    H    SER  24           H        SER  24  -4.653  23.910 -10.416
  193    HA   SER  24           HA       SER  24  -3.951  25.742  -8.232
  194   1HB   SER  24          1HB       SER  24  -6.429  25.839  -8.047
  195   2HB   SER  24          2HB       SER  24  -5.897  26.052  -9.732
  196    HG   SER  24           HG       SER  24  -7.412  24.542  -9.957
  197    H    GLY  25           H        GLY  25  -4.358  22.284  -8.517
  198   1HA   GLY  25          1HA       GLY  25  -4.539  20.674  -6.802
  199   2HA   GLY  25          2HA       GLY  25  -4.950  21.920  -5.623
  200    H    HIS  26           H        HIS  26  -6.920  22.803  -8.101
  201    HA   HIS  26           HA       HIS  26  -9.209  21.118  -7.245
  202   1HB   HIS  26          1HB       HIS  26  -9.372  23.345  -9.252
  203   2HB   HIS  26          2HB       HIS  26 -10.611  22.744  -8.182
  204    HD1  HIS  26           HD1      HIS  26  -9.668  25.898  -8.608
  205    HD2  HIS  26           HD2      HIS  26  -8.793  23.253  -5.405
  206    HE1  HIS  26           HE1      HIS  26  -9.146  27.328  -6.596
  207    H    ASP  27           H        ASP  27  -6.843  20.548  -9.351
  208    HA   ASP  27           HA       ASP  27  -6.450  19.742 -11.422
  209   1HB   ASP  27          1HB       ASP  27  -9.299  18.702 -11.435
  210   2HB   ASP  27          2HB       ASP  27  -8.002  18.244 -12.536
  211    H    THR  28           H        THR  28  -7.425  22.425 -10.976
  212    HA   THR  28           HA       THR  28  -8.121  23.201 -13.775
  213    HB   THR  28           HB       THR  28  -8.983  25.303 -12.896
  214    HG1  THR  28           HG1      THR  28  -9.106  25.683 -10.650
  215   1HG2  THR  28          1HG2      THR  28 -10.656  23.507 -13.003
  216   2HG2  THR  28          2HG2      THR  28 -10.222  22.961 -11.378
  217   3HG2  THR  28          3HG2      THR  28 -10.953  24.553 -11.598
  218    H    VAL  29           H        VAL  29  -7.124  25.405 -14.263
  219    HA   VAL  29           HA       VAL  29  -4.287  25.468 -13.380
  220    HB   VAL  29           HB       VAL  29  -5.404  26.347 -16.069
  221   1HG1  VAL  29          1HG1      VAL  29  -3.019  26.304 -16.730
  222   2HG1  VAL  29          2HG1      VAL  29  -3.278  27.448 -15.404
  223   3HG1  VAL  29          3HG1      VAL  29  -2.554  25.855 -15.084
  224   1HG2  VAL  29          1HG2      VAL  29  -3.996  23.760 -15.314
  225   2HG2  VAL  29          2HG2      VAL  29  -5.660  23.913 -15.906
  226   3HG2  VAL  29          3HG2      VAL  29  -4.321  24.313 -16.979
  227    H    VAL  30           H        VAL  30  -3.684  27.247 -12.384
  228    HA   VAL  30           HA       VAL  30  -5.289  29.754 -12.675
  229    HB   VAL  30           HB       VAL  30  -4.324  30.499 -10.519
  230   1HG1  VAL  30          1HG1      VAL  30  -6.086  28.036 -10.456
  231   2HG1  VAL  30          2HG1      VAL  30  -5.843  29.141  -9.087
  232   3HG1  VAL  30          3HG1      VAL  30  -6.586  29.730 -10.580
  233   1HG2  VAL  30          1HG2      VAL  30  -3.452  27.603 -10.170
  234   2HG2  VAL  30          2HG2      VAL  30  -2.397  29.030 -10.304
  235   3HG2  VAL  30          3HG2      VAL  30  -3.465  28.851  -8.909
  236    H    MET  31           H        MET  31  -4.233  31.662 -12.996
  237    HA   MET  31           HA       MET  31  -1.319  31.788 -13.065
  238   1HB   MET  31          1HB       MET  31  -1.042  32.382 -15.379
  239   2HB   MET  31          2HB       MET  31  -1.903  30.848 -15.318
  240   1HG   MET  31          1HG       MET  31  -4.047  32.295 -15.436
  241   2HG   MET  31          2HG       MET  31  -2.981  33.584 -16.005
  242   1HE   MET  31          1HE       MET  31  -5.017  30.461 -16.655
  243   2HE   MET  31          2HE       MET  31  -4.324  29.725 -18.115
  244   3HE   MET  31          3HE       MET  31  -3.430  29.661 -16.584
  245    H    GLU  32           H        GLU  32  -0.564  34.026 -13.509
  246    HA   GLU  32           HA       GLU  32  -2.596  36.133 -13.141
  247   1HB   GLU  32          1HB       GLU  32  -1.758  35.009 -10.886
  248   2HB   GLU  32          2HB       GLU  32  -0.325  36.024 -11.158
  249   1HG   GLU  32          1HG       GLU  32  -1.785  38.013 -11.257
  250   2HG   GLU  32          2HG       GLU  32  -3.181  36.989 -10.914
  251    H    VAL  33           H        VAL  33  -1.898  38.187 -13.669
  252    HA   VAL  33           HA       VAL  33   0.895  38.502 -14.689
  253    HB   VAL  33           HB       VAL  33  -0.023  39.647 -16.701
  254   1HG1  VAL  33          1HG1      VAL  33  -0.883  36.746 -16.553
  255   2HG1  VAL  33          2HG1      VAL  33  -0.244  37.665 -17.941
  256   3HG1  VAL  33          3HG1      VAL  33   0.811  37.267 -16.608
  257   1HG2  VAL  33          1HG2      VAL  33  -2.675  38.354 -15.946
  258   2HG2  VAL  33          2HG2      VAL  33  -2.335  40.098 -15.901
  259   3HG2  VAL  33          3HG2      VAL  33  -2.298  39.222 -17.440
  260    H    ALA  34           H        ALA  34   1.456  40.633 -15.339
  261    HA   ALA  34           HA       ALA  34  -0.100  42.869 -14.208
  262   1HB   ALA  34          1HB       ALA  34   2.000  43.996 -13.477
  263   2HB   ALA  34          2HB       ALA  34   1.682  42.511 -12.562
  264   3HB   ALA  34          3HB       ALA  34   2.911  42.516 -13.839
  265    H    PHE  35           H        PHE  35   0.138  44.788 -15.456
  266    HA   PHE  35           HA       PHE  35   0.906  44.240 -18.289
  267   1HB   PHE  35          1HB       PHE  35  -1.393  43.603 -17.855
  268   2HB   PHE  35          2HB       PHE  35  -1.722  45.147 -17.077
  269    HD1  PHE  35           HD1      PHE  35  -0.389  43.879 -20.381
  270    HD2  PHE  35           HD2      PHE  35  -2.957  46.683 -18.344
  271    HE1  PHE  35           HE1      PHE  35  -1.131  44.783 -22.545
  272    HE2  PHE  35           HE2      PHE  35  -3.628  47.641 -20.524
  273    HZ   PHE  35           HZ       PHE  35  -2.687  46.744 -22.619
  274    H    SER  36           H        SER  36   2.052  45.785 -19.177
  275    HA   SER  36           HA       SER  36   2.565  48.287 -17.865
  276   1HB   SER  36          1HB       SER  36   3.426  47.628 -20.689
  277   2HB   SER  36          2HB       SER  36   4.242  48.612 -19.475
  278    HG   SER  36           HG       SER  36   3.963  45.785 -19.628
  279    H    GLY  37           H        GLY  37  -0.022  47.550 -19.892
  280   1HA   GLY  37          1HA       GLY  37  -0.098  50.140 -21.331
  281   2HA   GLY  37          2HA       GLY  37  -1.165  48.762 -21.573
  282    H    THR  38           H        THR  38  -2.969  50.210 -21.546
  283    HA   THR  38           HA       THR  38  -3.752  51.998 -19.532
  284    HB   THR  38           HB       THR  38  -6.117  51.151 -20.585
  285    HG1  THR  38           HG1      THR  38  -5.715  50.489 -22.709
  286   1HG2  THR  38          1HG2      THR  38  -5.816  52.785 -22.376
  287   2HG2  THR  38          2HG2      THR  38  -5.166  53.397 -20.849
  288   3HG2  THR  38          3HG2      THR  38  -4.057  52.792 -22.103
  289    H    LYS  39           H        LYS  39  -5.842  51.760 -18.309
  290    HA   LYS  39           HA       LYS  39  -6.554  49.105 -17.346
  291   1HB   LYS  39          1HB       LYS  39  -6.052  51.394 -15.393
  292   2HB   LYS  39          2HB       LYS  39  -6.626  49.784 -14.990
  293   1HG   LYS  39          1HG       LYS  39  -3.862  50.461 -16.068
  294   2HG   LYS  39          2HG       LYS  39  -4.254  50.224 -14.375
  295   1HD   LYS  39          1HD       LYS  39  -4.771  47.895 -14.689
  296   2HD   LYS  39          2HD       LYS  39  -4.686  48.007 -16.427
  297   1HE   LYS  39          HE2       LYS  39  -2.376  48.348 -14.465
  298   2HE   LYS  39          HE3       LYS  39  -2.686  46.964 -15.513
  299   1HZ   LYS  39          HZ1       LYS  39  -2.527  48.715 -17.400
  300   2HZ   LYS  39          HZ2       LYS  39  -1.755  49.633 -16.324
  301   3HZ   LYS  39          HZ3       LYS  39  -1.123  48.168 -16.697
  302    HA   PRO  40           HA       PRO  40  -8.354  48.180 -16.581
  303   1HB   PRO  40          1HB       PRO  40 -10.831  47.349 -17.141
  304   2HB   PRO  40          2HB       PRO  40 -10.537  48.366 -15.698
  305   1HG   PRO  40          1HG       PRO  40 -11.503  49.278 -18.437
  306   2HG   PRO  40          2HG       PRO  40 -12.232  49.638 -16.841
  307   1HD   PRO  40          1HD       PRO  40 -10.448  51.329 -18.097
  308   2HD   PRO  40          2HD       PRO  40 -10.540  51.190 -16.317
  309    H    CYS  41           H        CYS  41  -8.521  46.238 -18.008
  310    HA   CYS  41           HA       CYS  41  -9.755  46.497 -20.611
  311   1HB   CYS  41          1HB       CYS  41  -7.804  45.792 -21.957
  312   2HB   CYS  41          2HB       CYS  41  -7.610  47.384 -21.247
  313    H    ARG  42           H        ARG  42  -9.932  44.401 -21.705
  314    HA   ARG  42           HA       ARG  42 -10.234  42.119 -19.844
  315   1HB   ARG  42          1HB       ARG  42 -11.913  42.840 -21.614
  316   2HB   ARG  42          2HB       ARG  42 -10.767  42.262 -22.834
  317   1HG   ARG  42          1HG       ARG  42 -10.850  39.983 -21.607
  318   2HG   ARG  42          2HG       ARG  42 -12.183  40.656 -20.665
  319   1HD   ARG  42          1HD       ARG  42 -12.050  40.028 -23.619
  320   2HD   ARG  42          2HD       ARG  42 -13.195  39.426 -22.436
  321    HE   ARG  42           HE       ARG  42 -13.111  42.293 -23.376
  322   1HH1  ARG  42          1HH1      ARG  42 -15.253  39.706 -22.225
  323   2HH1  ARG  42          2HH1      ARG  42 -16.634  40.639 -22.809
  324   1HH2  ARG  42          1HH2      ARG  42 -14.865  43.351 -23.716
  325   2HH2  ARG  42          2HH2      ARG  42 -16.454  42.583 -23.479
  326    H    ILE  43           H        ILE  43  -8.823  40.478 -19.655
  327    HA   ILE  43           HA       ILE  43  -6.228  40.802 -20.899
  328    HB   ILE  43           HB       ILE  43  -7.133  38.455 -19.203
  329   1HG1  ILE  43          2HG1      ILE  43  -5.923  41.139 -18.378
  330   2HG1  ILE  43          3HG1      ILE  43  -7.523  40.538 -17.959
  331   1HG2  ILE  43          1HG2      ILE  43  -4.959  38.360 -20.602
  332   2HG2  ILE  43          2HG2      ILE  43  -4.359  39.668 -19.589
  333   3HG2  ILE  43          3HG2      ILE  43  -4.761  38.110 -18.863
  334   1HD1  ILE  43          1HD1      ILE  43  -6.368  38.614 -16.729
  335   2HD1  ILE  43          2HD1      ILE  43  -4.870  39.556 -16.906
  336   3HD1  ILE  43          3HD1      ILE  43  -6.246  40.234 -16.023
  337    HA   PRO  44           HA       PRO  44  -7.558  38.333 -24.485
  338   1HB   PRO  44          1HB       PRO  44  -5.324  38.575 -26.043
  339   2HB   PRO  44          2HB       PRO  44  -6.437  39.939 -25.740
  340   1HG   PRO  44          1HG       PRO  44  -3.873  39.314 -24.238
  341   2HG   PRO  44          2HG       PRO  44  -4.348  40.860 -24.999
  342   1HD   PRO  44          1HD       PRO  44  -4.720  40.349 -22.368
  343   2HD   PRO  44          2HD       PRO  44  -5.952  41.251 -23.314
  344    H    VAL  45           H        VAL  45  -7.582  36.619 -22.872
  345    HA   VAL  45           HA       VAL  45  -5.226  34.831 -22.769
  346    HB   VAL  45           HB       VAL  45  -7.550  35.526 -21.013
  347   1HG1  VAL  45          1HG1      VAL  45  -7.124  33.657 -19.486
  348   2HG1  VAL  45          2HG1      VAL  45  -7.813  33.097 -21.008
  349   3HG1  VAL  45          3HG1      VAL  45  -6.065  32.896 -20.696
  350   1HG2  VAL  45          1HG2      VAL  45  -4.961  36.259 -21.085
  351   2HG2  VAL  45          2HG2      VAL  45  -5.866  36.115 -19.586
  352   3HG2  VAL  45          3HG2      VAL  45  -4.775  34.800 -20.114
  353    H    ARG  46           H        ARG  46  -5.155  32.799 -23.209
  354    HA   ARG  46           HA       ARG  46  -7.418  31.157 -23.973
  355   1HB   ARG  46          1HB       ARG  46  -6.581  30.678 -26.283
  356   2HB   ARG  46          2HB       ARG  46  -7.163  32.332 -26.087
  357   1HG   ARG  46          1HG       ARG  46  -4.754  33.041 -25.745
  358   2HG   ARG  46          2HG       ARG  46  -4.277  31.386 -26.185
  359   1HD   ARG  46          1HD       ARG  46  -4.932  31.674 -28.421
  360   2HD   ARG  46          2HD       ARG  46  -5.948  33.078 -28.041
  361    HE   ARG  46           HE       ARG  46  -3.785  34.242 -27.370
  362   1HH1  ARG  46          1HH1      ARG  46  -3.592  31.875 -30.020
  363   2HH1  ARG  46          2HH1      ARG  46  -2.265  32.771 -30.716
  364   1HH2  ARG  46          1HH2      ARG  46  -2.072  35.174 -28.267
  365   2HH2  ARG  46          2HH2      ARG  46  -1.353  34.599 -29.720
  366    H    ALA  47           H        ALA  47  -6.763  28.977 -24.375
  367    HA   ALA  47           HA       ALA  47  -3.927  28.237 -23.736
  368   1HB   ALA  47          1HB       ALA  47  -5.330  27.686 -21.782
  369   2HB   ALA  47          2HB       ALA  47  -6.481  26.830 -22.832
  370   3HB   ALA  47          3HB       ALA  47  -4.832  26.207 -22.647
  371    H    VAL  48           H        VAL  48  -3.043  27.274 -25.540
  372    HA   VAL  48           HA       VAL  48  -4.992  26.146 -27.499
  373    HB   VAL  48           HB       VAL  48  -3.747  26.938 -29.296
  374   1HG1  VAL  48          1HG1      VAL  48  -5.395  28.440 -28.176
  375   2HG1  VAL  48          2HG1      VAL  48  -4.057  29.207 -27.291
  376   3HG1  VAL  48          3HG1      VAL  48  -4.141  29.319 -29.053
  377   1HG2  VAL  48          1HG2      VAL  48  -1.756  28.166 -27.368
  378   2HG2  VAL  48          2HG2      VAL  48  -1.428  26.846 -28.514
  379   3HG2  VAL  48          3HG2      VAL  48  -1.827  28.468 -29.105
  380    H    ALA  49           H        ALA  49  -4.977  24.135 -27.801
  381    HA   ALA  49           HA       ALA  49  -3.165  22.428 -26.403
  382   1HB   ALA  49          1HB       ALA  49  -5.549  21.953 -26.694
  383   2HB   ALA  49          2HB       ALA  49  -5.333  21.817 -28.457
  384   3HB   ALA  49          3HB       ALA  49  -4.575  20.634 -27.367
  385    H    HIS  50           H        HIS  50  -1.831  20.771 -27.161
  386    HA   HIS  50           HA       HIS  50   0.163  21.182 -28.830
  387   1HB   HIS  50          1HB       HIS  50  -0.207  19.249 -27.282
  388   2HB   HIS  50          2HB       HIS  50  -1.104  18.437 -28.556
  389    HD1  HIS  50           HD1      HIS  50   2.430  19.804 -27.820
  390    HD2  HIS  50           HD2      HIS  50   0.364  17.209 -30.437
  391    HE1  HIS  50           HE1      HIS  50   4.208  18.603 -29.247
  392    H    GLY  51           H        GLY  51   0.074  22.050 -30.813
  393   1HA   GLY  51          1HA       GLY  51   0.334  21.653 -33.137
  394   2HA   GLY  51          2HA       GLY  51  -0.801  20.314 -33.054
  395    H    ALA  52           H        ALA  52  -2.423  22.736 -31.427
  396    HA   ALA  52           HA       ALA  52  -3.568  23.922 -33.939
  397   1HB   ALA  52          1HB       ALA  52  -5.061  22.904 -31.500
  398   2HB   ALA  52          2HB       ALA  52  -5.771  23.720 -32.911
  399   3HB   ALA  52          3HB       ALA  52  -5.002  22.136 -33.105
  400    HA   PRO  53           HA       PRO  53  -1.982  27.061 -30.907
  401   1HB   PRO  53          1HB       PRO  53  -0.746  28.803 -32.619
  402   2HB   PRO  53          2HB       PRO  53  -0.015  27.260 -32.081
  403   1HG   PRO  53          1HG       PRO  53  -1.570  27.786 -34.639
  404   2HG   PRO  53          2HG       PRO  53   0.038  27.006 -34.467
  405   1HD   PRO  53          1HD       PRO  53  -2.232  25.539 -34.675
  406   2HD   PRO  53          2HD       PRO  53  -0.917  25.032 -33.569
  407    H    ASP  54           H        ASP  54  -4.117  27.432 -33.619
  408    HA   ASP  54           HA       ASP  54  -5.122  30.060 -33.018
  409   1HB   ASP  54          1HB       ASP  54  -6.593  27.894 -34.541
  410   2HB   ASP  54          2HB       ASP  54  -6.562  29.629 -34.839
  411    H    VAL  55           H        VAL  55  -5.798  26.866 -31.728
  412    HA   VAL  55           HA       VAL  55  -8.658  27.490 -31.263
  413    HB   VAL  55           HB       VAL  55  -7.175  24.841 -31.076
  414   1HG1  VAL  55          1HG1      VAL  55  -9.168  24.822 -29.628
  415   2HG1  VAL  55          2HG1      VAL  55 -10.156  25.514 -30.931
  416   3HG1  VAL  55          3HG1      VAL  55  -9.485  23.875 -31.078
  417   1HG2  VAL  55          1HG2      VAL  55  -7.292  25.655 -33.398
  418   2HG2  VAL  55          2HG2      VAL  55  -8.422  24.318 -33.167
  419   3HG2  VAL  55          3HG2      VAL  55  -9.028  25.988 -33.217
  420    H    ASP  56           H        ASP  56  -8.901  28.661 -29.457
  421    HA   ASP  56           HA       ASP  56  -7.586  28.092 -26.971
  422   1HB   ASP  56          1HB       ASP  56  -8.637  30.275 -27.516
  423   2HB   ASP  56          2HB       ASP  56 -10.230  29.519 -27.404
  424    H    VAL  57           H        VAL  57  -7.881  26.479 -25.668
  425    HA   VAL  57           HA       VAL  57 -10.473  24.986 -25.521
  426    HB   VAL  57           HB       VAL  57  -9.240  23.059 -24.713
  427   1HG1  VAL  57          1HG1      VAL  57  -9.669  23.289 -27.134
  428   2HG1  VAL  57          2HG1      VAL  57  -8.088  24.070 -27.341
  429   3HG1  VAL  57          3HG1      VAL  57  -8.180  22.384 -26.798
  430   1HG2  VAL  57          1HG2      VAL  57  -7.227  24.284 -23.743
  431   2HG2  VAL  57          2HG2      VAL  57  -6.861  22.856 -24.727
  432   3HG2  VAL  57          3HG2      VAL  57  -6.634  24.447 -25.414
  433    H    ALA  58           H        ALA  58  -9.141  27.486 -23.938
  434    HA   ALA  58           HA       ALA  58  -9.112  26.668 -21.198
  435   1HB   ALA  58          1HB       ALA  58  -9.546  29.390 -22.495
  436   2HB   ALA  58          2HB       ALA  58  -9.206  29.105 -20.784
  437   3HB   ALA  58          3HB       ALA  58  -7.986  28.683 -22.012
  438    H    MET  59           H        MET  59 -10.896  25.656 -20.343
  439    HA   MET  59           HA       MET  59 -13.577  26.921 -20.544
  440   1HB   MET  59          1HB       MET  59 -12.617  24.490 -18.991
  441   2HB   MET  59          2HB       MET  59 -14.290  25.035 -19.139
  442   1HG   MET  59          1HG       MET  59 -14.287  24.654 -21.529
  443   2HG   MET  59          2HG       MET  59 -12.565  24.290 -21.542
  444   1HE   MET  59          1HE       MET  59 -11.433  22.193 -20.894
  445   2HE   MET  59          2HE       MET  59 -11.977  22.296 -19.203
  446   3HE   MET  59          3HE       MET  59 -12.197  20.787 -20.112
  447    H    LEU  60           H        LEU  60 -13.187  28.937 -19.603
  448    HA   LEU  60           HA       LEU  60 -11.661  29.450 -17.291
  449   1HB   LEU  60          1HB       LEU  60 -13.974  31.054 -18.403
  450   2HB   LEU  60          2HB       LEU  60 -12.793  31.633 -17.245
  451    HG   LEU  60           HG       LEU  60 -11.398  30.522 -19.575
  452   1HD1  LEU  60          1HD1      LEU  60 -12.109  32.146 -21.252
  453   2HD1  LEU  60          2HD1      LEU  60 -13.470  31.122 -20.780
  454   3HD1  LEU  60          3HD1      LEU  60 -13.356  32.782 -20.151
  455   1HD2  LEU  60          1HD2      LEU  60 -10.397  32.092 -17.963
  456   2HD2  LEU  60          2HD2      LEU  60 -10.339  32.721 -19.622
  457   3HD2  LEU  60          3HD2      LEU  60 -11.545  33.349 -18.476
  458    H    ILE  61           H        ILE  61 -11.956  29.281 -15.181
  459    HA   ILE  61           HA       ILE  61 -14.561  28.282 -14.106
  460    HB   ILE  61           HB       ILE  61 -11.772  28.212 -12.920
  461   1HG1  ILE  61          2HG1      ILE  61 -11.792  26.736 -14.828
  462   2HG1  ILE  61          3HG1      ILE  61 -11.763  25.800 -13.362
  463   1HG2  ILE  61          1HG2      ILE  61 -13.372  28.166 -11.116
  464   2HG2  ILE  61          2HG2      ILE  61 -14.343  26.927 -11.932
  465   3HG2  ILE  61          3HG2      ILE  61 -12.717  26.545 -11.316
  466   1HD1  ILE  61          1HD1      ILE  61 -14.188  25.289 -13.629
  467   2HD1  ILE  61          2HD1      ILE  61 -14.211  26.260 -15.124
  468   3HD1  ILE  61          3HD1      ILE  61 -13.236  24.788 -15.036
  469    H    THR  62           H        THR  62 -12.313  30.958 -13.967
  470    HA   THR  62           HA       THR  62 -14.135  32.345 -12.051
  471    HB   THR  62           HB       THR  62 -11.572  32.207 -11.639
  472    HG1  THR  62           HG1      THR  62 -12.713  33.450 -10.353
  473   1HG2  THR  62          1HG2      THR  62 -11.583  34.628 -13.481
  474   2HG2  THR  62          2HG2      THR  62 -10.232  33.970 -12.549
  475   3HG2  THR  62          3HG2      THR  62 -10.901  33.050 -13.925
  476    HA   PRO  63           HA       PRO  63 -15.922  34.556 -15.386
  477   1HB   PRO  63          1HB       PRO  63 -15.477  37.152 -13.910
  478   2HB   PRO  63          2HB       PRO  63 -16.983  36.522 -14.648
  479   1HG   PRO  63          1HG       PRO  63 -16.615  36.384 -11.972
  480   2HG   PRO  63          2HG       PRO  63 -17.294  34.974 -12.852
  481   1HD   PRO  63          1HD       PRO  63 -14.440  35.433 -11.954
  482   2HD   PRO  63          2HD       PRO  63 -15.455  33.968 -11.784
  483    H    ASN  64           H        ASN  64 -15.702  36.102 -17.031
  484    HA   ASN  64           HA       ASN  64 -13.717  36.521 -18.687
  485   1HB   ASN  64          1HB       ASN  64 -15.940  37.320 -19.018
  486   2HB   ASN  64          2HB       ASN  64 -15.791  38.478 -17.698
  487   1HD2  ASN  64          2HD2      ASN  64 -14.267  40.229 -17.984
  488   2HD2  ASN  64          1HD2      ASN  64 -14.307  41.033 -19.567
  489    HA   PRO  65           HA       PRO  65 -10.824  38.260 -15.708
  490   1HB   PRO  65          1HB       PRO  65  -8.435  37.671 -16.928
  491   2HB   PRO  65          2HB       PRO  65  -9.447  36.477 -16.059
  492   1HG   PRO  65          1HG       PRO  65  -9.346  37.012 -19.043
  493   2HG   PRO  65          2HG       PRO  65  -9.273  35.432 -18.194
  494   1HD   PRO  65          1HD       PRO  65 -11.595  36.385 -19.230
  495   2HD   PRO  65          2HD       PRO  65 -11.581  35.507 -17.666
  496    H    THR  66           H        THR  66 -10.104  40.264 -15.406
  497    HA   THR  66           HA       THR  66  -9.345  41.958 -17.722
  498    HB   THR  66           HB       THR  66 -10.404  43.903 -16.622
  499    HG1  THR  66           HG1      THR  66 -11.960  43.486 -15.003
  500   1HG2  THR  66          1HG2      THR  66 -12.752  43.359 -17.138
  501   2HG2  THR  66          2HG2      THR  66 -11.669  42.774 -18.395
  502   3HG2  THR  66          3HG2      THR  66 -12.354  41.635 -17.218
  503    H    MET  67           H        MET  67  -7.870  43.568 -17.312
  504    HA   MET  67           HA       MET  67  -6.279  43.324 -14.796
  505   1HB   MET  67          1HB       MET  67  -5.340  43.111 -17.401
  506   2HB   MET  67          2HB       MET  67  -5.068  44.815 -17.065
  507   1HG   MET  67          1HG       MET  67  -4.165  42.505 -15.279
  508   2HG   MET  67          2HG       MET  67  -3.174  43.268 -16.502
  509   1HE   MET  67          1HE       MET  67  -3.281  43.008 -12.876
  510   2HE   MET  67          2HE       MET  67  -3.630  44.617 -12.208
  511   3HE   MET  67          3HE       MET  67  -4.917  43.695 -12.999
  512    H    GLU  68           H        GLU  68  -6.246  45.115 -13.470
  513    HA   GLU  68           HA       GLU  68  -7.744  47.524 -14.347
  514   1HB   GLU  68          1HB       GLU  68  -8.303  45.772 -11.925
  515   2HB   GLU  68          2HB       GLU  68  -9.017  47.339 -12.221
  516   1HG   GLU  68          1HG       GLU  68 -10.164  46.476 -14.218
  517   2HG   GLU  68          2HG       GLU  68  -9.449  44.873 -13.945
  518    H    ASN  69           H        ASN  69  -7.750  49.182 -12.685
  519    HA   ASN  69           HA       ASN  69  -5.217  49.592 -11.226
  520   1HB   ASN  69          1HB       ASN  69  -6.328  51.859 -10.866
  521   2HB   ASN  69          2HB       ASN  69  -5.962  51.438 -12.538
  522   1HD2  ASN  69          2HD2      ASN  69  -7.584  53.211 -13.000
  523   2HD2  ASN  69          1HD2      ASN  69  -9.264  52.681 -13.035
  524    H    ASN  70           H        ASN  70  -8.337  48.359 -10.665
  525    HA   ASN  70           HA       ASN  70  -8.217  48.821  -7.723
  526   1HB   ASN  70          1HB       ASN  70 -10.603  49.049  -7.734
  527   2HB   ASN  70          2HB       ASN  70  -9.941  50.146  -8.939
  528   1HD2  ASN  70          1HD2      ASN  70 -10.196  49.478 -11.337
  529   2HD2  ASN  70          2HD2      ASN  70 -11.368  48.137 -11.634
  530    H    GLY  71           H        GLY  71  -7.073  46.563  -9.291
  531   1HA   GLY  71          1HA       GLY  71  -6.940  44.398  -7.936
  532   2HA   GLY  71          2HA       GLY  71  -8.652  44.215  -8.336
  533    H    GLY  72           H        GLY  72  -8.491  42.410  -9.648
  534   1HA   GLY  72          1HA       GLY  72  -8.531  41.498 -11.791
  535   2HA   GLY  72          2HA       GLY  72  -7.766  42.961 -12.412
  536    H    GLY  73           H        GLY  73  -6.812  41.125 -13.709
  537   1HA   GLY  73          1HA       GLY  73  -4.695  40.394 -14.403
  538   2HA   GLY  73          2HA       GLY  73  -4.038  40.826 -12.836
  539    H    PHE  74           H        PHE  74  -6.560  38.791 -12.109
  540    HA   PHE  74           HA       PHE  74  -4.833  36.352 -12.082
  541   1HB   PHE  74          1HB       PHE  74  -5.255  37.257  -9.832
  542   2HB   PHE  74          2HB       PHE  74  -6.986  37.286 -10.145
  543    HD1  PHE  74           HD1      PHE  74  -4.043  34.986  -9.796
  544    HD2  PHE  74           HD2      PHE  74  -8.346  35.322  -9.857
  545    HE1  PHE  74           HE1      PHE  74  -4.243  32.603  -9.146
  546    HE2  PHE  74           HE2      PHE  74  -8.535  32.932  -9.207
  547    HZ   PHE  74           HZ       PHE  74  -6.494  31.576  -8.855
  548    H    ILE  75           H        ILE  75  -5.676  34.360 -12.541
  549    HA   ILE  75           HA       ILE  75  -8.341  34.212 -13.857
  550    HB   ILE  75           HB       ILE  75  -5.733  33.311 -15.090
  551   1HG1  ILE  75          2HG1      ILE  75  -7.182  35.912 -15.631
  552   2HG1  ILE  75          3HG1      ILE  75  -5.546  35.705 -14.992
  553   1HG2  ILE  75          1HG2      ILE  75  -7.748  32.087 -15.863
  554   2HG2  ILE  75          2HG2      ILE  75  -8.485  33.631 -16.352
  555   3HG2  ILE  75          3HG2      ILE  75  -7.020  33.007 -17.147
  556   1HD1  ILE  75          1HD1      ILE  75  -4.835  34.676 -17.130
  557   2HD1  ILE  75          2HD1      ILE  75  -6.448  35.077 -17.781
  558   3HD1  ILE  75          3HD1      ILE  75  -5.358  36.369 -17.247
  559    H    GLU  76           H        GLU  76  -9.260  32.189 -13.749
  560    HA   GLU  76           HA       GLU  76  -7.578  29.839 -13.257
  561   1HB   GLU  76          1HB       GLU  76  -8.721  30.436 -11.087
  562   2HB   GLU  76          2HB       GLU  76 -10.277  30.141 -11.883
  563   1HG   GLU  76          1HG       GLU  76  -9.622  27.818 -12.384
  564   2HG   GLU  76          2HG       GLU  76  -8.011  28.095 -11.762
  565    H    MET  77           H        MET  77  -8.002  28.237 -14.662
  566    HA   MET  77           HA       MET  77 -10.565  28.033 -16.119
  567   1HB   MET  77          1HB       MET  77  -9.349  27.874 -18.296
  568   2HB   MET  77          2HB       MET  77  -9.309  29.488 -17.587
  569   1HG   MET  77          1HG       MET  77  -7.028  29.226 -16.864
  570   2HG   MET  77          2HG       MET  77  -7.056  27.499 -17.191
  571   1HE   MET  77          1HE       MET  77  -8.198  30.640 -19.334
  572   2HE   MET  77          2HE       MET  77  -6.584  31.095 -18.737
  573   3HE   MET  77          3HE       MET  77  -6.836  30.751 -20.466
  574    H    GLN  78           H        GLN  78 -10.703  25.947 -17.349
  575    HA   GLN  78           HA       GLN  78  -8.732  23.892 -16.433
  576   1HB   GLN  78          1HB       GLN  78 -10.949  23.785 -15.275
  577   2HB   GLN  78          2HB       GLN  78 -11.715  23.446 -16.830
  578   1HG   GLN  78          1HG       GLN  78 -10.531  21.343 -17.030
  579   2HG   GLN  78          2HG       GLN  78  -9.428  21.765 -15.710
  580   1HE2  GLN  78          2HE2      GLN  78  -9.868  20.580 -13.853
  581   2HE2  GLN  78          1HE2      GLN  78 -11.532  20.187 -13.380
  582    H    LEU  79           H        LEU  79  -8.259  22.219 -17.875
  583    HA   LEU  79           HA       LEU  79  -8.640  22.867 -20.758
  584   1HB   LEU  79          1HB       LEU  79  -6.087  22.534 -19.116
  585   2HB   LEU  79          2HB       LEU  79  -6.114  22.414 -20.855
  586    HG   LEU  79           HG       LEU  79  -6.881  24.810 -20.987
  587   1HD1  LEU  79          1HD1      LEU  79  -6.644  24.588 -17.987
  588   2HD1  LEU  79          2HD1      LEU  79  -6.004  26.044 -18.745
  589   3HD1  LEU  79          3HD1      LEU  79  -7.694  25.632 -18.979
  590   1HD2  LEU  79          1HD2      LEU  79  -4.566  24.072 -21.282
  591   2HD2  LEU  79          2HD2      LEU  79  -4.602  25.627 -20.444
  592   3HD2  LEU  79          3HD2      LEU  79  -4.297  24.140 -19.524
  593    HA   PRO  80           HA       PRO  80  -8.492  18.371 -21.251
  594   1HB   PRO  80          1HB       PRO  80  -7.247  18.088 -23.681
  595   2HB   PRO  80          2HB       PRO  80  -8.942  18.626 -23.479
  596   1HG   PRO  80          1HG       PRO  80  -6.474  20.330 -23.906
  597   2HG   PRO  80          2HG       PRO  80  -8.069  20.460 -24.713
  598   1HD   PRO  80          1HD       PRO  80  -7.359  22.034 -22.605
  599   2HD   PRO  80          2HD       PRO  80  -9.041  21.485 -22.831
  600    HA   PRO  81           HA       PRO  81  -4.424  17.463 -19.404
  601   1HB   PRO  81          1HB       PRO  81  -5.315  14.706 -20.227
  602   2HB   PRO  81          2HB       PRO  81  -4.488  15.228 -18.719
  603   1HG   PRO  81          1HG       PRO  81  -7.159  14.863 -18.691
  604   2HG   PRO  81          2HG       PRO  81  -6.466  16.339 -17.940
  605   1HD   PRO  81          1HD       PRO  81  -7.749  16.059 -20.660
  606   2HD   PRO  81          2HD       PRO  81  -7.973  17.330 -19.416
  607    H    GLY  82           H        GLY  82  -2.405  17.305 -20.112
  608   1HA   GLY  82          1HA       GLY  82  -0.775  16.416 -21.768
  609   2HA   GLY  82          2HA       GLY  82  -1.964  16.732 -23.032
  610    H    ASP  83           H        ASP  83  -0.014  17.782 -23.914
  611    HA   ASP  83           HA       ASP  83   1.047  20.230 -22.862
  612   1HB   ASP  83          1HB       ASP  83   2.337  18.777 -24.293
  613   2HB   ASP  83          2HB       ASP  83   1.161  18.916 -25.596
  614    H    ASN  84           H        ASN  84   0.067  22.070 -22.712
  615    HA   ASN  84           HA       ASN  84  -1.651  23.128 -24.908
  616   1HB   ASN  84          1HB       ASN  84  -2.110  23.261 -21.889
  617   2HB   ASN  84          2HB       ASN  84  -2.985  24.213 -23.086
  618   1HD2  ASN  84          2HD2      ASN  84  -2.449  20.736 -22.031
  619   2HD2  ASN  84          1HD2      ASN  84  -4.125  20.359 -22.421
  620    H    ILE  85           H        ILE  85  -0.738  24.984 -25.675
  621    HA   ILE  85           HA       ILE  85   1.291  26.407 -24.033
  622    HB   ILE  85           HB       ILE  85   0.389  27.018 -26.874
  623   1HG1  ILE  85          2HG1      ILE  85   2.915  26.212 -27.221
  624   2HG1  ILE  85          3HG1      ILE  85   2.613  25.267 -25.769
  625   1HG2  ILE  85          1HG2      ILE  85   2.390  28.448 -26.897
  626   2HG2  ILE  85          2HG2      ILE  85   1.310  28.955 -25.597
  627   3HG2  ILE  85          3HG2      ILE  85   2.761  28.004 -25.216
  628   1HD1  ILE  85          1HD1      ILE  85   2.247  24.009 -27.884
  629   2HD1  ILE  85          2HD1      ILE  85   0.753  24.092 -26.948
  630   3HD1  ILE  85          3HD1      ILE  85   0.978  25.157 -28.355
  631    H    ILE  86           H        ILE  86   0.503  27.744 -22.530
  632    HA   ILE  86           HA       ILE  86  -2.198  28.936 -22.899
  633    HB   ILE  86           HB       ILE  86  -0.385  28.690 -20.486
  634   1HG1  ILE  86          2HG1      ILE  86  -2.983  27.313 -21.315
  635   2HG1  ILE  86          3HG1      ILE  86  -1.392  26.566 -21.232
  636   1HG2  ILE  86          1HG2      ILE  86  -3.215  29.842 -20.692
  637   2HG2  ILE  86          2HG2      ILE  86  -2.291  29.584 -19.196
  638   3HG2  ILE  86          3HG2      ILE  86  -1.740  30.776 -20.343
  639   1HD1  ILE  86          1HD1      ILE  86  -1.364  27.025 -18.763
  640   2HD1  ILE  86          2HD1      ILE  86  -3.082  27.498 -18.896
  641   3HD1  ILE  86          3HD1      ILE  86  -2.569  25.860 -19.308
  642    H    TYR  87           H        TYR  87  -2.587  31.083 -22.947
  643    HA   TYR  87           HA       TYR  87  -0.238  32.857 -23.486
  644   1HB   TYR  87          1HB       TYR  87  -2.761  32.236 -24.958
  645   2HB   TYR  87          2HB       TYR  87  -2.123  33.856 -25.088
  646    HD1  TYR  87           HD1      TYR  87  -0.166  34.378 -26.281
  647    HD2  TYR  87           HD2      TYR  87  -1.465  30.295 -25.915
  648    HE1  TYR  87           HE1      TYR  87   1.225  33.768 -28.250
  649    HE2  TYR  87           HE2      TYR  87   0.063  29.639 -27.769
  650    HH   TYR  87           HH       TYR  87   1.406  30.472 -29.490
  651    H    VAL  88           H        VAL  88  -0.310  34.868 -22.944
  652    HA   VAL  88           HA       VAL  88  -2.850  36.197 -22.199
  653    HB   VAL  88           HB       VAL  88  -0.198  36.524 -20.739
  654   1HG1  VAL  88          1HG1      VAL  88  -0.998  38.723 -21.139
  655   2HG1  VAL  88          2HG1      VAL  88  -2.683  38.275 -20.866
  656   3HG1  VAL  88          3HG1      VAL  88  -1.551  38.351 -19.509
  657   1HG2  VAL  88          1HG2      VAL  88  -1.909  34.722 -19.968
  658   2HG2  VAL  88          2HG2      VAL  88  -1.382  35.899 -18.776
  659   3HG2  VAL  88          3HG2      VAL  88  -2.960  36.088 -19.543
  660    H    GLY  89           H        GLY  89  -3.092  36.894 -24.278
  661   1HA   GLY  89          1HA       GLY  89  -2.814  38.366 -26.042
  662   2HA   GLY  89          2HA       GLY  89  -1.324  38.981 -25.289
  663    H    GLU  90           H        GLU  90   0.505  38.474 -26.298
  664    HA   GLU  90           HA       GLU  90   0.711  35.892 -27.789
  665   1HB   GLU  90          1HB       GLU  90   1.201  38.452 -28.780
  666   2HB   GLU  90          2HB       GLU  90   2.807  37.897 -28.329
  667   1HG   GLU  90          1HG       GLU  90   2.378  37.288 -30.634
  668   2HG   GLU  90          2HG       GLU  90   2.434  35.808 -29.671
  669    H    LEU  91           H        LEU  91   1.737  37.556 -24.998
  670    HA   LEU  91           HA       LEU  91   4.202  36.137 -24.436
  671   1HB   LEU  91          1HB       LEU  91   3.516  38.228 -23.238
  672   2HB   LEU  91          2HB       LEU  91   2.100  37.387 -22.621
  673    HG   LEU  91           HG       LEU  91   3.710  35.731 -21.495
  674   1HD1  LEU  91          1HD1      LEU  91   5.676  37.999 -22.040
  675   2HD1  LEU  91          2HD1      LEU  91   5.957  36.599 -20.984
  676   3HD1  LEU  91          3HD1      LEU  91   5.777  36.364 -22.728
  677   1HD2  LEU  91          1HD2      LEU  91   3.707  38.629 -20.596
  678   2HD2  LEU  91          2HD2      LEU  91   2.431  37.430 -20.270
  679   3HD2  LEU  91          3HD2      LEU  91   4.043  37.207 -19.580
  680    H    LYS  92           H        LYS  92   4.394  34.084 -23.638
  681    HA   LYS  92           HA       LYS  92   1.923  32.500 -23.218
  682   1HB   LYS  92          1HB       LYS  92   2.545  30.900 -24.881
  683   2HB   LYS  92          2HB       LYS  92   2.560  32.497 -25.619
  684   1HG   LYS  92          1HG       LYS  92   5.099  32.539 -25.275
  685   2HG   LYS  92          2HG       LYS  92   4.968  30.875 -24.706
  686   1HD   LYS  92          1HD       LYS  92   5.433  30.371 -26.833
  687   2HD   LYS  92          2HD       LYS  92   3.706  30.562 -27.084
  688   1HE   LYS  92          HE2       LYS  92   5.787  32.772 -27.493
  689   2HE   LYS  92          HE3       LYS  92   5.263  31.664 -28.764
  690   1HZ   LYS  92          HZ1       LYS  92   3.545  33.672 -27.398
  691   2HZ   LYS  92          HZ2       LYS  92   4.015  33.653 -28.955
  692   3HZ   LYS  92          HZ3       LYS  92   2.985  32.490 -28.431
  693    H    HIS  93           H        HIS  93   2.324  30.300 -22.513
  694    HA   HIS  93           HA       HIS  93   4.936  29.574 -21.375
  695   1HB   HIS  93          1HB       HIS  93   3.919  30.884 -19.551
  696   2HB   HIS  93          2HB       HIS  93   2.453  29.911 -19.649
  697    HD1  HIS  93           HD1      HIS  93   2.669  27.360 -18.644
  698    HD2  HIS  93           HD2      HIS  93   6.050  29.853 -18.296
  699    HE1  HIS  93           HE1      HIS  93   4.213  26.267 -16.934
  700    H    GLN  94           H        GLN  94   5.221  27.411 -21.699
  701    HA   GLN  94           HA       GLN  94   3.060  25.789 -22.794
  702   1HB   GLN  94          1HB       GLN  94   5.401  25.691 -23.611
  703   2HB   GLN  94          2HB       GLN  94   5.919  25.041 -22.042
  704   1HG   GLN  94          1HG       GLN  94   4.504  23.063 -22.353
  705   2HG   GLN  94          2HG       GLN  94   3.767  23.787 -23.790
  706   1HE2  GLN  94          2HE2      GLN  94   4.322  21.896 -24.929
  707   2HE2  GLN  94          1HE2      GLN  94   5.993  21.701 -25.557
  708    H    TRP  95           H        TRP  95   1.614  24.650 -21.599
  709    HA   TRP  95           HA       TRP  95   2.347  23.862 -18.814
  710   1HB   TRP  95          1HB       TRP  95   0.746  25.660 -18.780
  711   2HB   TRP  95          2HB       TRP  95  -0.256  24.856 -19.991
  712    HD1  TRP  95           HD1      TRP  95  -2.188  23.530 -19.112
  713    HE1  TRP  95           HE1      TRP  95  -2.880  22.394 -16.871
  714    HE3  TRP  95           HE3      TRP  95   2.041  24.458 -16.371
  715    HZ2  TRP  95           HZ2      TRP  95  -1.614  21.669 -14.451
  716    HZ3  TRP  95           HZ3      TRP  95   2.329  23.405 -14.149
  717    HH2  TRP  95           HH2      TRP  95   0.537  21.972 -13.194
  718    H    PHE  96           H        PHE  96   2.194  21.804 -18.310
  719    HA   PHE  96           HA       PHE  96   1.024  19.871 -20.243
  720   1HB   PHE  96          1HB       PHE  96   2.980  19.398 -17.975
  721   2HB   PHE  96          2HB       PHE  96   2.437  18.223 -19.171
  722    HD1  PHE  96           HD1      PHE  96   4.834  20.843 -18.428
  723    HD2  PHE  96           HD2      PHE  96   2.964  18.697 -21.672
  724    HE1  PHE  96           HE1      PHE  96   6.633  21.588 -19.963
  725    HE2  PHE  96           HE2      PHE  96   4.769  19.453 -23.201
  726    HZ   PHE  96           HZ       PHE  96   6.614  20.879 -22.345
  727    H    GLN  97           H        GLN  97  -1.087  19.984 -19.760
  728    HA   GLN  97           HA       GLN  97  -2.165  20.334 -17.127
  729   1HB   GLN  97          1HB       GLN  97  -3.236  21.191 -19.159
  730   2HB   GLN  97          2HB       GLN  97  -3.334  19.575 -19.831
  731   1HG   GLN  97          1HG       GLN  97  -5.495  20.277 -19.163
  732   2HG   GLN  97          2HG       GLN  97  -5.026  18.942 -18.131
  733   1HE2  GLN  97          2HE2      GLN  97  -7.098  20.293 -17.333
  734   2HE2  GLN  97          1HE2      GLN  97  -6.608  21.079 -15.819
  735    H    LYS  98           H        LYS  98  -3.159  19.013 -15.740
  736    HA   LYS  98           HA       LYS  98  -3.349  16.099 -16.340
  737   1HB   LYS  98          1HB       LYS  98  -3.171  15.576 -14.025
  738   2HB   LYS  98          2HB       LYS  98  -1.752  16.498 -14.493
  739   1HG   LYS  98          1HG       LYS  98  -2.403  18.398 -13.245
  740   2HG   LYS  98          2HG       LYS  98  -4.105  17.911 -13.180
  741   1HD   LYS  98          1HD       LYS  98  -3.622  16.075 -11.672
  742   2HD   LYS  98          2HD       LYS  98  -1.880  16.341 -11.824
  743   1HE   LYS  98          HE2       LYS  98  -2.709  17.192  -9.688
  744   2HE   LYS  98          HE3       LYS  98  -2.062  18.500 -10.695
  745   1HZ   LYS  98          HZ1       LYS  98  -4.981  17.896 -10.426
  746   2HZ   LYS  98          HZ2       LYS  98  -4.150  19.175  -9.710
  747   3HZ   LYS  98          HZ3       LYS  98  -4.268  19.138 -11.283
  748    H    GLY  99           H        GLY  99  -5.207  15.024 -15.201
  749   1HA   GLY  99          1HA       GLY  99  -7.499  15.742 -14.120
  750   2HA   GLY  99          2HA       GLY  99  -7.666  16.516 -15.709
  Start of MODEL    8
    1   1H    ILE   1           H1       ILE   1 -10.856  45.332  -8.434
    2   2H    ILE   1           H2       ILE   1 -10.996  44.860 -10.028
    3   3H    ILE   1           H3       ILE   1 -11.833  46.140  -9.441
    4    HA   ILE   1           HA       ILE   1 -12.182  43.370  -8.529
    5    HB   ILE   1           HB       ILE   1 -12.791  45.257  -6.957
    6   1HG1  ILE   1          2HG1      ILE   1 -14.911  44.246  -6.232
    7   2HG1  ILE   1          3HG1      ILE   1 -15.040  43.358  -7.750
    8   1HG2  ILE   1          1HG2      ILE   1 -15.191  45.668  -8.798
    9   2HG2  ILE   1          2HG2      ILE   1 -14.868  46.458  -7.253
   10   3HG2  ILE   1          3HG2      ILE   1 -13.840  46.810  -8.638
   11   1HD1  ILE   1          1HD1      ILE   1 -14.168  41.988  -5.851
   12   2HD1  ILE   1          2HD1      ILE   1 -13.018  42.063  -7.193
   13   3HD1  ILE   1          3HD1      ILE   1 -12.758  43.059  -5.737
   14    H    SER   2           H        SER   2 -13.040  45.687 -11.031
   15    HA   SER   2           HA       SER   2 -15.456  44.430 -11.929
   16   1HB   SER   2          1HB       SER   2 -15.359  46.113 -13.663
   17   2HB   SER   2          2HB       SER   2 -15.097  46.815 -12.069
   18    HG   SER   2           HG       SER   2 -12.644  46.530 -12.726
   19    H    LYS   3           H        LYS   3 -15.258  42.381 -12.633
   20    HA   LYS   3           HA       LYS   3 -13.237  41.500 -14.564
   21   1HB   LYS   3          1HB       LYS   3 -15.777  40.143 -13.608
   22   2HB   LYS   3          2HB       LYS   3 -14.522  39.410 -14.589
   23   1HG   LYS   3          1HG       LYS   3 -14.345  40.220 -11.680
   24   2HG   LYS   3          2HG       LYS   3 -14.167  38.636 -12.402
   25   1HD   LYS   3          1HD       LYS   3 -11.946  39.015 -12.083
   26   2HD   LYS   3          2HD       LYS   3 -12.069  39.852 -13.631
   27   1HE   LYS   3          HE2       LYS   3 -12.770  41.899 -12.039
   28   2HE   LYS   3          HE3       LYS   3 -11.970  40.964 -10.797
   29   1HZ   LYS   3          HZ1       LYS   3  -9.942  41.087 -12.122
   30   2HZ   LYS   3          HZ2       LYS   3 -10.732  41.861 -13.350
   31   3HZ   LYS   3          HZ3       LYS   3 -10.553  42.638 -11.939
   32    H    GLY   4           H        GLY   4 -14.620  43.772 -15.322
   33   1HA   GLY   4          1HA       GLY   4 -16.215  44.581 -17.042
   34   2HA   GLY   4          2HA       GLY   4 -14.550  44.487 -17.558
   35    H    LEU   5           H        LEU   5 -17.579  42.669 -17.643
   36    HA   LEU   5           HA       LEU   5 -17.072  41.008 -19.874
   37   1HB   LEU   5          1HB       LEU   5 -19.662  42.299 -18.897
   38   2HB   LEU   5          2HB       LEU   5 -19.557  41.072 -20.148
   39    HG   LEU   5           HG       LEU   5 -18.475  39.517 -18.438
   40   1HD1  LEU   5          1HD1      LEU   5 -19.166  39.979 -16.044
   41   2HD1  LEU   5          2HD1      LEU   5 -17.852  40.988 -16.607
   42   3HD1  LEU   5          3HD1      LEU   5 -19.505  41.655 -16.511
   43   1HD2  LEU   5          1HD2      LEU   5 -20.673  38.906 -17.492
   44   2HD2  LEU   5          2HD2      LEU   5 -21.325  40.494 -17.956
   45   3HD2  LEU   5          3HD2      LEU   5 -20.816  39.330 -19.202
   46    H    THR   6           H        THR   6 -17.598  44.457 -19.758
   47    HA   THR   6           HA       THR   6 -18.093  44.754 -22.651
   48    HB   THR   6           HB       THR   6 -18.429  47.162 -21.918
   49    HG1  THR   6           HG1      THR   6 -18.682  47.426 -19.670
   50   1HG2  THR   6          1HG2      THR   6 -20.602  46.788 -20.864
   51   2HG2  THR   6          2HG2      THR   6 -20.352  45.618 -22.172
   52   3HG2  THR   6          3HG2      THR   6 -20.166  45.109 -20.478
   53    H    TYR   7           H        TYR   7 -15.291  44.855 -20.557
   54    HA   TYR   7           HA       TYR   7 -14.118  47.234 -21.696
   55   1HB   TYR   7          1HB       TYR   7 -12.809  44.916 -20.236
   56   2HB   TYR   7          2HB       TYR   7 -12.020  46.435 -20.630
   57    HD1  TYR   7           HD1      TYR   7 -14.942  47.925 -19.788
   58    HD2  TYR   7           HD2      TYR   7 -11.929  45.420 -17.963
   59    HE1  TYR   7           HE1      TYR   7 -15.511  48.841 -17.564
   60    HE2  TYR   7           HE2      TYR   7 -12.564  46.300 -15.724
   61    HH   TYR   7           HH       TYR   7 -13.993  47.668 -14.541
   62    H    THR   8           H        THR   8 -12.534  47.569 -23.194
   63    HA   THR   8           HA       THR   8 -12.257  45.844 -25.429
   64    HB   THR   8           HB       THR   8 -10.473  48.153 -24.533
   65    HG1  THR   8           HG1      THR   8 -11.924  49.258 -26.029
   66   1HG2  THR   8          1HG2      THR   8 -10.166  48.502 -26.998
   67   2HG2  THR   8          2HG2      THR   8  -9.446  46.998 -26.435
   68   3HG2  THR   8          3HG2      THR   8 -11.006  46.966 -27.299
   69    H    MET   9           H        MET   9 -10.418  44.708 -26.175
   70    HA   MET   9           HA       MET   9  -9.040  43.052 -24.322
   71   1HB   MET   9          1HB       MET   9  -8.338  43.692 -27.217
   72   2HB   MET   9          2HB       MET   9  -7.750  42.314 -26.281
   73   1HG   MET   9          1HG       MET   9 -10.642  42.839 -27.068
   74   2HG   MET   9          2HG       MET   9  -9.556  41.677 -27.821
   75   1HE   MET   9          1HE       MET   9 -12.590  41.302 -26.483
   76   2HE   MET   9          2HE       MET   9 -11.752  40.110 -27.505
   77   3HE   MET   9          3HE       MET   9 -12.387  39.631 -25.915
   78    H    CYS  10           H        CYS  10  -7.109  43.233 -23.309
   79    HA   CYS  10           HA       CYS  10  -5.499  45.626 -23.331
   80   1HB   CYS  10          1HB       CYS  10  -4.671  42.813 -22.604
   81   2HB   CYS  10          2HB       CYS  10  -3.909  44.270 -22.068
   82    H    ASP  11           H        ASP  11  -3.309  45.841 -24.137
   83    HA   ASP  11           HA       ASP  11  -2.687  44.969 -26.774
   84   1HB   ASP  11          1HB       ASP  11  -1.821  47.011 -25.743
   85   2HB   ASP  11          2HB       ASP  11  -0.966  46.076 -24.522
   86    H    LYS  12           H        LYS  12  -1.861  43.122 -27.502
   87    HA   LYS  12           HA       LYS  12  -1.607  40.817 -25.916
   88   1HB   LYS  12          1HB       LYS  12  -0.640  41.433 -28.738
   89   2HB   LYS  12          2HB       LYS  12  -0.516  39.842 -28.012
   90   1HG   LYS  12          1HG       LYS  12  -3.044  39.870 -27.662
   91   2HG   LYS  12          2HG       LYS  12  -3.077  41.367 -28.599
   92   1HD   LYS  12          1HD       LYS  12  -3.586  39.602 -30.140
   93   2HD   LYS  12          2HD       LYS  12  -1.930  40.120 -30.486
   94   1HE   LYS  12          HE2       LYS  12  -1.242  38.185 -28.858
   95   2HE   LYS  12          HE3       LYS  12  -2.883  37.595 -29.057
   96   1HZ   LYS  12          HZ1       LYS  12  -1.069  38.133 -31.337
   97   2HZ   LYS  12          HZ2       LYS  12  -1.092  36.687 -30.592
   98   3HZ   LYS  12          HZ3       LYS  12  -2.459  37.242 -31.361
   99    H    ALA  13           H        ALA  13   0.845  43.224 -26.324
  100    HA   ALA  13           HA       ALA  13   3.011  41.265 -25.646
  101   1HB   ALA  13          1HB       ALA  13   3.165  42.357 -27.843
  102   2HB   ALA  13          2HB       ALA  13   3.106  43.955 -27.065
  103   3HB   ALA  13          3HB       ALA  13   4.486  42.872 -26.776
  104    H    LYS  14           H        LYS  14   1.368  44.033 -24.319
  105    HA   LYS  14           HA       LYS  14   3.652  45.003 -22.756
  106   1HB   LYS  14          1HB       LYS  14   0.714  45.711 -22.618
  107   2HB   LYS  14          2HB       LYS  14   1.974  46.602 -21.793
  108   1HG   LYS  14          1HG       LYS  14   1.837  46.257 -24.790
  109   2HG   LYS  14          2HG       LYS  14   1.085  47.601 -23.919
  110   1HD   LYS  14          1HD       LYS  14   3.391  48.204 -23.071
  111   2HD   LYS  14          2HD       LYS  14   4.054  46.968 -24.154
  112   1HE   LYS  14          HE2       LYS  14   2.404  49.418 -24.939
  113   2HE   LYS  14          HE3       LYS  14   4.140  49.203 -25.192
  114   1HZ   LYS  14          HZ1       LYS  14   1.941  47.678 -26.514
  115   2HZ   LYS  14          HZ2       LYS  14   2.966  48.729 -27.223
  116   3HZ   LYS  14          HZ3       LYS  14   3.530  47.284 -26.660
  117    H    PHE  15           H        PHE  15   2.594  42.185 -22.202
  118    HA   PHE  15           HA       PHE  15   1.740  42.409 -19.349
  119   1HB   PHE  15          1HB       PHE  15   1.555  40.211 -21.435
  120   2HB   PHE  15          2HB       PHE  15   1.303  39.897 -19.729
  121    HD1  PHE  15           HD1      PHE  15  -0.457  41.128 -18.431
  122    HD2  PHE  15           HD2      PHE  15  -0.284  41.076 -22.744
  123    HE1  PHE  15           HE1      PHE  15  -2.900  41.574 -18.535
  124    HE2  PHE  15           HE2      PHE  15  -2.699  41.543 -22.846
  125    HZ   PHE  15           HZ       PHE  15  -4.024  41.732 -20.719
  126    H    THR  16           H        THR  16   2.571  41.036 -17.762
  127    HA   THR  16           HA       THR  16   4.825  39.245 -18.394
  128    HB   THR  16           HB       THR  16   5.852  39.896 -16.092
  129    HG1  THR  16           HG1      THR  16   4.329  42.153 -16.778
  130   1HG2  THR  16          1HG2      THR  16   6.210  41.791 -18.448
  131   2HG2  THR  16          2HG2      THR  16   7.328  41.560 -17.088
  132   3HG2  THR  16          3HG2      THR  16   7.030  40.230 -18.223
  133    H    TRP  17           H        TRP  17   4.863  37.410 -17.116
  134    HA   TRP  17           HA       TRP  17   2.483  36.599 -15.703
  135   1HB   TRP  17          1HB       TRP  17   5.247  35.375 -15.996
  136   2HB   TRP  17          2HB       TRP  17   3.903  34.601 -15.183
  137    HD1  TRP  17           HD1      TRP  17   5.580  34.453 -18.338
  138    HE1  TRP  17           HE1      TRP  17   4.144  33.320 -20.170
  139    HE3  TRP  17           HE3      TRP  17   0.996  34.717 -16.055
  140    HZ2  TRP  17           HZ2      TRP  17   1.372  32.664 -20.578
  141    HZ3  TRP  17           HZ3      TRP  17  -1.016  33.845 -17.204
  142    HH2  TRP  17           HH2      TRP  17  -0.838  32.794 -19.442
  143    H    LYS  18           H        LYS  18   1.970  37.396 -13.767
  144    HA   LYS  18           HA       LYS  18   3.911  37.905 -11.568
  145   1HB   LYS  18          1HB       LYS  18   0.891  38.008 -11.864
  146   2HB   LYS  18          2HB       LYS  18   1.565  37.634 -10.285
  147   1HG   LYS  18          1HG       LYS  18   2.974  39.725 -10.460
  148   2HG   LYS  18          2HG       LYS  18   2.019  40.180 -11.880
  149   1HD   LYS  18          1HD       LYS  18   0.826  39.502  -9.145
  150   2HD   LYS  18          2HD       LYS  18   1.274  41.143  -9.611
  151   1HE   LYS  18          HE2       LYS  18  -0.391  41.282 -11.289
  152   2HE   LYS  18          HE3       LYS  18  -0.607  39.538 -11.349
  153   1HZ   LYS  18          HZ1       LYS  18  -2.421  40.600 -10.151
  154   2HZ   LYS  18          HZ2       LYS  18  -1.587  39.564  -9.179
  155   3HZ   LYS  18          HZ3       LYS  18  -1.371  41.190  -9.017
  156    H    ARG  19           H        ARG  19   1.628  35.494 -12.692
  157    HA   ARG  19           HA       ARG  19   3.082  33.319 -11.278
  158   1HB   ARG  19          1HB       ARG  19   1.002  34.129  -9.969
  159   2HB   ARG  19          2HB       ARG  19   0.048  33.485 -11.309
  160   1HG   ARG  19          1HG       ARG  19   1.289  31.248 -10.869
  161   2HG   ARG  19          2HG       ARG  19   1.773  31.988  -9.335
  162   1HD   ARG  19          1HD       ARG  19  -1.018  31.338 -10.349
  163   2HD   ARG  19          2HD       ARG  19  -0.201  30.717  -8.913
  164    HE   ARG  19           HE       ARG  19  -0.836  33.650  -9.029
  165   1HH1  ARG  19          1HH1      ARG  19  -1.717  30.580  -7.582
  166   2HH1  ARG  19          2HH1      ARG  19  -2.751  31.354  -6.408
  167   1HH2  ARG  19          1HH2      ARG  19  -2.109  34.558  -7.648
  168   2HH2  ARG  19          2HH2      ARG  19  -2.986  33.626  -6.435
  169    H    ALA  20           H        ALA  20   3.901  32.409 -13.147
  170    HA   ALA  20           HA       ALA  20   2.462  32.193 -15.618
  171   1HB   ALA  20          1HB       ALA  20   4.903  31.969 -15.490
  172   2HB   ALA  20          2HB       ALA  20   4.736  30.503 -14.488
  173   3HB   ALA  20          3HB       ALA  20   4.184  30.502 -16.173
  174    HA   PRO  21           HA       PRO  21  -0.634  29.215 -14.889
  175   1HB   PRO  21          1HB       PRO  21   0.527  27.542 -17.111
  176   2HB   PRO  21          2HB       PRO  21  -1.178  28.006 -16.797
  177   1HG   PRO  21          1HG       PRO  21   0.316  29.327 -18.644
  178   2HG   PRO  21          2HG       PRO  21  -0.796  30.225 -17.563
  179   1HD   PRO  21          1HD       PRO  21   2.195  29.925 -17.375
  180   2HD   PRO  21          2HD       PRO  21   1.166  31.347 -17.039
  181    H    THR  22           H        THR  22  -0.789  27.982 -13.198
  182    HA   THR  22           HA       THR  22   0.771  25.481 -13.061
  183    HB   THR  22           HB       THR  22   2.018  27.181 -11.739
  184    HG1  THR  22           HG1      THR  22   2.129  25.783  -9.920
  185   1HG2  THR  22          1HG2      THR  22   0.096  28.469 -10.804
  186   2HG2  THR  22          2HG2      THR  22  -0.349  27.053  -9.818
  187   3HG2  THR  22          3HG2      THR  22   1.201  27.874  -9.553
  188    H    ASP  23           H        ASP  23  -0.076  24.179 -11.113
  189    HA   ASP  23           HA       ASP  23  -2.936  23.796 -11.697
  190   1HB   ASP  23          1HB       ASP  23  -1.146  21.947 -11.508
  191   2HB   ASP  23          2HB       ASP  23  -1.266  22.163  -9.763
  192    H    SER  24           H        SER  24  -4.622  23.945 -10.248
  193    HA   SER  24           HA       SER  24  -4.317  25.667  -7.896
  194   1HB   SER  24          1HB       SER  24  -6.803  25.450  -7.906
  195   2HB   SER  24          2HB       SER  24  -6.157  25.914  -9.495
  196    HG   SER  24           HG       SER  24  -7.451  24.287 -10.015
  197    H    GLY  25           H        GLY  25  -4.342  22.190  -8.366
  198   1HA   GLY  25          1HA       GLY  25  -4.587  20.473  -6.798
  199   2HA   GLY  25          2HA       GLY  25  -5.118  21.615  -5.564
  200    H    HIS  26           H        HIS  26  -6.977  22.551  -8.128
  201    HA   HIS  26           HA       HIS  26  -9.267  20.799  -7.447
  202   1HB   HIS  26          1HB       HIS  26  -9.326  23.040  -9.446
  203   2HB   HIS  26          2HB       HIS  26 -10.636  22.404  -8.490
  204    HD1  HIS  26           HD1      HIS  26  -9.805  25.591  -8.798
  205    HD2  HIS  26           HD2      HIS  26  -8.980  22.940  -5.583
  206    HE1  HIS  26           HE1      HIS  26  -9.463  27.008  -6.751
  207    H    ASP  27           H        ASP  27  -6.752  20.313  -9.421
  208    HA   ASP  27           HA       ASP  27  -6.210  19.727 -11.531
  209   1HB   ASP  27          1HB       ASP  27  -8.923  18.374 -11.631
  210   2HB   ASP  27          2HB       ASP  27  -7.615  18.162 -12.796
  211    H    THR  28           H        THR  28  -7.009  22.273 -11.115
  212    HA   THR  28           HA       THR  28  -7.856  23.093 -13.840
  213    HB   THR  28           HB       THR  28  -8.906  25.105 -12.975
  214    HG1  THR  28           HG1      THR  28  -9.102  25.498 -10.761
  215   1HG2  THR  28          1HG2      THR  28 -10.854  24.209 -11.709
  216   2HG2  THR  28          2HG2      THR  28 -10.482  23.270 -13.167
  217   3HG2  THR  28          3HG2      THR  28 -10.041  22.646 -11.573
  218    H    VAL  29           H        VAL  29  -7.078  25.395 -14.219
  219    HA   VAL  29           HA       VAL  29  -4.213  25.491 -13.459
  220    HB   VAL  29           HB       VAL  29  -5.380  26.387 -16.112
  221   1HG1  VAL  29          1HG1      VAL  29  -2.588  25.578 -15.169
  222   2HG1  VAL  29          2HG1      VAL  29  -3.024  26.071 -16.813
  223   3HG1  VAL  29          3HG1      VAL  29  -3.138  27.236 -15.483
  224   1HG2  VAL  29          1HG2      VAL  29  -4.332  23.644 -15.339
  225   2HG2  VAL  29          2HG2      VAL  29  -5.945  24.025 -15.966
  226   3HG2  VAL  29          3HG2      VAL  29  -4.548  24.212 -17.020
  227    H    VAL  30           H        VAL  30  -3.707  27.163 -12.324
  228    HA   VAL  30           HA       VAL  30  -5.279  29.698 -12.495
  229    HB   VAL  30           HB       VAL  30  -4.217  30.255 -10.299
  230   1HG1  VAL  30          1HG1      VAL  30  -6.045  27.835 -10.416
  231   2HG1  VAL  30          2HG1      VAL  30  -5.806  28.867  -8.990
  232   3HG1  VAL  30          3HG1      VAL  30  -6.531  29.534 -10.462
  233   1HG2  VAL  30          1HG2      VAL  30  -3.539  27.286 -10.146
  234   2HG2  VAL  30          2HG2      VAL  30  -2.356  28.599 -10.291
  235   3HG2  VAL  30          3HG2      VAL  30  -3.379  28.480  -8.851
  236    H    MET  31           H        MET  31  -4.298  31.575 -12.956
  237    HA   MET  31           HA       MET  31  -1.379  31.784 -13.041
  238   1HB   MET  31          1HB       MET  31  -1.167  32.321 -15.387
  239   2HB   MET  31          2HB       MET  31  -1.957  30.758 -15.246
  240   1HG   MET  31          1HG       MET  31  -4.153  32.165 -15.310
  241   2HG   MET  31          2HG       MET  31  -3.139  33.390 -16.080
  242   1HE   MET  31          1HE       MET  31  -5.130  30.170 -16.204
  243   2HE   MET  31          2HE       MET  31  -4.502  29.263 -17.597
  244   3HE   MET  31          3HE       MET  31  -3.513  29.445 -16.140
  245    H    GLU  32           H        GLU  32  -0.682  33.981 -13.603
  246    HA   GLU  32           HA       GLU  32  -2.696  36.075 -13.109
  247   1HB   GLU  32          1HB       GLU  32  -1.846  34.853 -10.955
  248   2HB   GLU  32          2HB       GLU  32  -0.360  35.778 -11.215
  249   1HG   GLU  32          1HG       GLU  32  -1.678  37.867 -11.124
  250   2HG   GLU  32          2HG       GLU  32  -3.143  36.931 -10.837
  251    H    VAL  33           H        VAL  33  -2.036  38.108 -13.788
  252    HA   VAL  33           HA       VAL  33   0.784  38.453 -14.722
  253    HB   VAL  33           HB       VAL  33  -0.089  39.606 -16.738
  254   1HG1  VAL  33          1HG1      VAL  33  -0.939  36.699 -16.580
  255   2HG1  VAL  33          2HG1      VAL  33  -0.438  37.622 -18.018
  256   3HG1  VAL  33          3HG1      VAL  33   0.733  37.268 -16.768
  257   1HG2  VAL  33          1HG2      VAL  33  -2.769  38.332 -16.062
  258   2HG2  VAL  33          2HG2      VAL  33  -2.409  40.065 -15.892
  259   3HG2  VAL  33          3HG2      VAL  33  -2.366  39.309 -17.481
  260    H    ALA  34           H        ALA  34   1.496  40.509 -15.156
  261    HA   ALA  34           HA       ALA  34  -0.081  42.800 -14.088
  262   1HB   ALA  34          1HB       ALA  34   2.949  42.457 -14.079
  263   2HB   ALA  34          2HB       ALA  34   2.075  43.942 -13.635
  264   3HB   ALA  34          3HB       ALA  34   1.884  42.478 -12.655
  265    H    PHE  35           H        PHE  35   0.146  44.738 -15.363
  266    HA   PHE  35           HA       PHE  35   0.766  44.244 -18.236
  267   1HB   PHE  35          1HB       PHE  35  -1.564  43.640 -17.752
  268   2HB   PHE  35          2HB       PHE  35  -1.842  45.213 -17.011
  269    HD1  PHE  35           HD1      PHE  35  -0.509  43.796 -20.252
  270    HD2  PHE  35           HD2      PHE  35  -2.993  46.780 -18.360
  271    HE1  PHE  35           HE1      PHE  35  -1.181  44.650 -22.461
  272    HE2  PHE  35           HE2      PHE  35  -3.613  47.645 -20.593
  273    HZ   PHE  35           HZ       PHE  35  -2.653  46.663 -22.629
  274    H    SER  36           H        SER  36   1.854  45.839 -19.128
  275    HA   SER  36           HA       SER  36   2.293  48.377 -17.702
  276   1HB   SER  36          1HB       SER  36   3.462  47.313 -20.300
  277   2HB   SER  36          2HB       SER  36   3.984  48.771 -19.439
  278    HG   SER  36           HG       SER  36   4.052  46.103 -18.469
  279    H    GLY  37           H        GLY  37  -0.051  47.439 -19.962
  280   1HA   GLY  37          1HA       GLY  37  -0.204  50.074 -21.322
  281   2HA   GLY  37          2HA       GLY  37  -1.161  48.646 -21.683
  282    H    THR  38           H        THR  38  -2.906  50.314 -21.721
  283    HA   THR  38           HA       THR  38  -3.769  51.988 -19.803
  284    HB   THR  38           HB       THR  38  -5.901  50.441 -21.224
  285    HG1  THR  38           HG1      THR  38  -5.261  51.260 -23.222
  286   1HG2  THR  38          1HG2      THR  38  -6.296  52.699 -20.209
  287   2HG2  THR  38          2HG2      THR  38  -5.085  53.379 -21.323
  288   3HG2  THR  38          3HG2      THR  38  -6.589  52.675 -21.952
  289    H    LYS  39           H        LYS  39  -5.417  52.010 -18.200
  290    HA   LYS  39           HA       LYS  39  -6.450  49.390 -17.272
  291   1HB   LYS  39          1HB       LYS  39  -5.805  51.729 -15.444
  292   2HB   LYS  39          2HB       LYS  39  -6.466  50.169 -14.971
  293   1HG   LYS  39          1HG       LYS  39  -3.679  50.704 -16.068
  294   2HG   LYS  39          2HG       LYS  39  -4.099  50.365 -14.391
  295   1HD   LYS  39          1HD       LYS  39  -4.854  48.092 -15.002
  296   2HD   LYS  39          2HD       LYS  39  -4.461  48.380 -16.683
  297   1HE   LYS  39          HE2       LYS  39  -2.518  48.278 -14.353
  298   2HE   LYS  39          HE3       LYS  39  -2.720  47.084 -15.635
  299   1HZ   LYS  39          HZ1       LYS  39  -0.886  48.318 -16.294
  300   2HZ   LYS  39          HZ2       LYS  39  -2.062  48.995 -17.211
  301   3HZ   LYS  39          HZ3       LYS  39  -1.547  49.777 -15.877
  302    HA   PRO  40           HA       PRO  40  -8.240  48.486 -16.581
  303   1HB   PRO  40          1HB       PRO  40 -10.680  47.664 -17.234
  304   2HB   PRO  40          2HB       PRO  40 -10.462  48.737 -15.819
  305   1HG   PRO  40          1HG       PRO  40 -11.272  49.533 -18.647
  306   2HG   PRO  40          2HG       PRO  40 -12.089  49.966 -17.112
  307   1HD   PRO  40          1HD       PRO  40 -10.224  51.591 -18.340
  308   2HD   PRO  40          2HD       PRO  40 -10.424  51.538 -16.564
  309    H    CYS  41           H        CYS  41  -8.396  46.483 -17.929
  310    HA   CYS  41           HA       CYS  41  -9.514  46.693 -20.590
  311   1HB   CYS  41          1HB       CYS  41  -7.584  45.874 -21.847
  312   2HB   CYS  41          2HB       CYS  41  -7.247  47.427 -21.100
  313    H    ARG  42           H        ARG  42  -9.698  44.568 -21.641
  314    HA   ARG  42           HA       ARG  42 -10.121  42.324 -19.733
  315   1HB   ARG  42          1HB       ARG  42 -11.851  43.073 -21.423
  316   2HB   ARG  42          2HB       ARG  42 -10.751  42.531 -22.699
  317   1HG   ARG  42          1HG       ARG  42 -10.801  40.212 -21.486
  318   2HG   ARG  42          2HG       ARG  42 -12.162  40.872 -20.570
  319   1HD   ARG  42          1HD       ARG  42 -11.921  40.380 -23.550
  320   2HD   ARG  42          2HD       ARG  42 -13.060  39.643 -22.446
  321    HE   ARG  42           HE       ARG  42 -13.085  42.551 -23.269
  322   1HH1  ARG  42          1HH1      ARG  42 -15.081  39.875 -22.014
  323   2HH1  ARG  42          2HH1      ARG  42 -16.522  40.847 -22.379
  324   1HH2  ARG  42          1HH2      ARG  42 -14.862  43.585 -23.469
  325   2HH2  ARG  42          2HH2      ARG  42 -16.427  42.799 -23.093
  326    H    ILE  43           H        ILE  43  -8.812  40.594 -19.649
  327    HA   ILE  43           HA       ILE  43  -6.226  40.820 -20.940
  328    HB   ILE  43           HB       ILE  43  -7.305  38.619 -19.159
  329   1HG1  ILE  43          2HG1      ILE  43  -5.520  41.044 -18.589
  330   2HG1  ILE  43          3HG1      ILE  43  -7.197  40.894 -18.095
  331   1HG2  ILE  43          1HG2      ILE  43  -5.348  37.973 -20.650
  332   2HG2  ILE  43          2HG2      ILE  43  -4.440  39.307 -19.922
  333   3HG2  ILE  43          3HG2      ILE  43  -4.969  37.935 -18.933
  334   1HD1  ILE  43          1HD1      ILE  43  -4.914  39.190 -17.052
  335   2HD1  ILE  43          2HD1      ILE  43  -5.755  40.499 -16.217
  336   3HD1  ILE  43          3HD1      ILE  43  -6.625  39.007 -16.604
  337    HA   PRO  44           HA       PRO  44  -7.760  38.591 -24.579
  338   1HB   PRO  44          1HB       PRO  44  -5.570  38.796 -26.191
  339   2HB   PRO  44          2HB       PRO  44  -6.598  40.199 -25.774
  340   1HG   PRO  44          1HG       PRO  44  -4.027  39.346 -24.396
  341   2HG   PRO  44          2HG       PRO  44  -4.425  40.954 -25.060
  342   1HD   PRO  44          1HD       PRO  44  -4.755  40.331 -22.448
  343   2HD   PRO  44          2HD       PRO  44  -5.962  41.348 -23.309
  344    H    VAL  45           H        VAL  45  -7.879  36.770 -23.163
  345    HA   VAL  45           HA       VAL  45  -5.577  34.944 -23.019
  346    HB   VAL  45           HB       VAL  45  -7.814  35.791 -21.334
  347   1HG1  VAL  45          1HG1      VAL  45  -8.831  33.629 -21.644
  348   2HG1  VAL  45          2HG1      VAL  45  -7.292  32.813 -21.283
  349   3HG1  VAL  45          3HG1      VAL  45  -8.121  33.756 -20.027
  350   1HG2  VAL  45          1HG2      VAL  45  -5.169  35.781 -21.123
  351   2HG2  VAL  45          2HG2      VAL  45  -6.239  35.712 -19.745
  352   3HG2  VAL  45          3HG2      VAL  45  -5.463  34.215 -20.353
  353    H    ARG  46           H        ARG  46  -5.508  32.875 -23.407
  354    HA   ARG  46           HA       ARG  46  -7.662  31.236 -24.352
  355   1HB   ARG  46          1HB       ARG  46  -6.709  30.748 -26.617
  356   2HB   ARG  46          2HB       ARG  46  -7.302  32.403 -26.482
  357   1HG   ARG  46          1HG       ARG  46  -4.972  33.174 -26.044
  358   2HG   ARG  46          2HG       ARG  46  -4.397  31.510 -26.290
  359   1HD   ARG  46          1HD       ARG  46  -4.820  31.588 -28.601
  360   2HD   ARG  46          2HD       ARG  46  -5.867  33.017 -28.452
  361    HE   ARG  46           HE       ARG  46  -3.731  34.165 -27.549
  362   1HH1  ARG  46          1HH1      ARG  46  -3.483  31.856 -30.213
  363   2HH1  ARG  46          2HH1      ARG  46  -2.035  32.639 -30.800
  364   1HH2  ARG  46          1HH2      ARG  46  -1.928  35.011 -28.274
  365   2HH2  ARG  46          2HH2      ARG  46  -1.148  34.516 -29.731
  366    H    ALA  47           H        ALA  47  -6.896  29.034 -24.709
  367    HA   ALA  47           HA       ALA  47  -4.008  28.502 -24.156
  368   1HB   ALA  47          1HB       ALA  47  -4.671  26.458 -22.947
  369   2HB   ALA  47          2HB       ALA  47  -5.253  27.915 -22.096
  370   3HB   ALA  47          3HB       ALA  47  -6.377  26.924 -23.054
  371    H    VAL  48           H        VAL  48  -3.084  27.176 -25.684
  372    HA   VAL  48           HA       VAL  48  -5.001  25.942 -27.635
  373    HB   VAL  48           HB       VAL  48  -3.736  26.617 -29.448
  374   1HG1  VAL  48          1HG1      VAL  48  -5.203  28.362 -28.461
  375   2HG1  VAL  48          2HG1      VAL  48  -3.809  29.018 -27.567
  376   3HG1  VAL  48          3HG1      VAL  48  -3.825  29.051 -29.330
  377   1HG2  VAL  48          1HG2      VAL  48  -1.656  28.020 -29.243
  378   2HG2  VAL  48          2HG2      VAL  48  -1.629  27.585 -27.520
  379   3HG2  VAL  48          3HG2      VAL  48  -1.448  26.331 -28.762
  380    H    ALA  49           H        ALA  49  -4.909  23.861 -27.859
  381    HA   ALA  49           HA       ALA  49  -3.069  22.226 -26.410
  382   1HB   ALA  49          1HB       ALA  49  -5.339  21.512 -26.946
  383   2HB   ALA  49          2HB       ALA  49  -4.985  21.569 -28.692
  384   3HB   ALA  49          3HB       ALA  49  -4.175  20.377 -27.651
  385    H    HIS  50           H        HIS  50  -1.211  21.170 -26.987
  386    HA   HIS  50           HA       HIS  50   0.482  22.120 -28.973
  387   1HB   HIS  50          1HB       HIS  50   1.070  20.890 -26.934
  388   2HB   HIS  50          2HB       HIS  50   0.518  19.379 -27.661
  389    HD1  HIS  50           HD1      HIS  50   3.555  21.125 -26.969
  390    HD2  HIS  50           HD2      HIS  50   2.002  18.985 -30.266
  391    HE1  HIS  50           HE1      HIS  50   5.553  20.487 -28.474
  392    H    GLY  51           H        GLY  51  -0.184  22.233 -31.017
  393   1HA   GLY  51          1HA       GLY  51   0.156  20.785 -33.127
  394   2HA   GLY  51          2HA       GLY  51  -1.153  19.806 -32.473
  395    H    ALA  52           H        ALA  52  -2.396  22.554 -31.457
  396    HA   ALA  52           HA       ALA  52  -3.292  23.637 -34.099
  397   1HB   ALA  52          1HB       ALA  52  -5.132  22.625 -31.904
  398   2HB   ALA  52          2HB       ALA  52  -5.629  23.492 -33.377
  399   3HB   ALA  52          3HB       ALA  52  -4.877  21.889 -33.505
  400    HA   PRO  53           HA       PRO  53  -2.133  27.052 -31.158
  401   1HB   PRO  53          1HB       PRO  53  -1.518  28.329 -33.804
  402   2HB   PRO  53          2HB       PRO  53  -0.576  28.373 -32.284
  403   1HG   PRO  53          1HG       PRO  53   0.196  26.794 -34.354
  404   2HG   PRO  53          2HG       PRO  53   0.289  26.188 -32.667
  405   1HD   PRO  53          1HD       PRO  53  -1.867  25.669 -34.733
  406   2HD   PRO  53          2HD       PRO  53  -1.033  24.510 -33.657
  407    H    ASP  54           H        ASP  54  -4.303  26.754 -33.793
  408    HA   ASP  54           HA       ASP  54  -5.502  29.330 -33.876
  409   1HB   ASP  54          1HB       ASP  54  -6.805  26.773 -34.834
  410   2HB   ASP  54          2HB       ASP  54  -6.784  28.358 -35.596
  411    H    VAL  55           H        VAL  55  -6.123  26.523 -31.861
  412    HA   VAL  55           HA       VAL  55  -8.968  27.345 -31.429
  413    HB   VAL  55           HB       VAL  55  -7.709  24.603 -31.055
  414   1HG1  VAL  55          1HG1      VAL  55 -10.083  23.859 -30.862
  415   2HG1  VAL  55          2HG1      VAL  55  -9.640  24.948 -29.548
  416   3HG1  VAL  55          3HG1      VAL  55 -10.614  25.554 -30.905
  417   1HG2  VAL  55          1HG2      VAL  55  -7.840  25.141 -33.436
  418   2HG2  VAL  55          2HG2      VAL  55  -9.114  23.992 -33.031
  419   3HG2  VAL  55          3HG2      VAL  55  -9.514  25.710 -33.253
  420    H    ASP  56           H        ASP  56  -9.333  28.415 -29.625
  421    HA   ASP  56           HA       ASP  56  -7.771  28.091 -27.222
  422   1HB   ASP  56          1HB       ASP  56  -8.972  30.184 -27.764
  423   2HB   ASP  56          2HB       ASP  56 -10.514  29.345 -27.536
  424    H    VAL  57           H        VAL  57  -7.867  26.447 -25.910
  425    HA   VAL  57           HA       VAL  57 -10.316  24.751 -25.641
  426    HB   VAL  57           HB       VAL  57  -8.987  22.969 -24.870
  427   1HG1  VAL  57          1HG1      VAL  57  -9.026  23.339 -27.340
  428   2HG1  VAL  57          2HG1      VAL  57  -7.455  24.157 -27.214
  429   3HG1  VAL  57          3HG1      VAL  57  -7.603  22.446 -26.771
  430   1HG2  VAL  57          1HG2      VAL  57  -6.510  24.735 -24.945
  431   2HG2  VAL  57          2HG2      VAL  57  -7.307  24.127 -23.479
  432   3HG2  VAL  57          3HG2      VAL  57  -6.565  23.006 -24.626
  433    H    ALA  58           H        ALA  58  -9.094  27.421 -24.113
  434    HA   ALA  58           HA       ALA  58  -9.070  26.602 -21.356
  435   1HB   ALA  58          1HB       ALA  58  -9.131  29.034 -20.938
  436   2HB   ALA  58          2HB       ALA  58  -7.916  28.619 -22.170
  437   3HB   ALA  58          3HB       ALA  58  -9.473  29.336 -22.645
  438    H    MET  59           H        MET  59 -10.834  25.763 -20.345
  439    HA   MET  59           HA       MET  59 -13.478  27.139 -20.668
  440   1HB   MET  59          1HB       MET  59 -12.694  24.566 -19.261
  441   2HB   MET  59          2HB       MET  59 -14.324  25.253 -19.296
  442   1HG   MET  59          1HG       MET  59 -14.467  25.040 -21.693
  443   2HG   MET  59          2HG       MET  59 -12.775  24.574 -21.831
  444   1HE   MET  59          1HE       MET  59 -12.571  20.965 -20.623
  445   2HE   MET  59          2HE       MET  59 -11.739  22.388 -21.298
  446   3HE   MET  59          3HE       MET  59 -12.260  22.381 -19.598
  447    H    LEU  60           H        LEU  60 -13.219  29.065 -19.566
  448    HA   LEU  60           HA       LEU  60 -11.623  29.366 -17.238
  449   1HB   LEU  60          1HB       LEU  60 -13.882  31.190 -18.102
  450   2HB   LEU  60          2HB       LEU  60 -12.593  31.516 -16.956
  451    HG   LEU  60           HG       LEU  60 -11.098  30.809 -19.164
  452   1HD1  LEU  60          1HD1      LEU  60 -13.130  30.764 -20.623
  453   2HD1  LEU  60          2HD1      LEU  60 -13.481  32.443 -20.157
  454   3HD1  LEU  60          3HD1      LEU  60 -12.013  32.055 -21.078
  455   1HD2  LEU  60          1HD2      LEU  60 -12.105  33.551 -18.331
  456   2HD2  LEU  60          2HD2      LEU  60 -10.665  32.716 -17.714
  457   3HD2  LEU  60          3HD2      LEU  60 -10.710  33.257 -19.403
  458    H    ILE  61           H        ILE  61 -11.918  29.045 -15.183
  459    HA   ILE  61           HA       ILE  61 -14.511  28.028 -14.115
  460    HB   ILE  61           HB       ILE  61 -11.696  28.024 -12.976
  461   1HG1  ILE  61          2HG1      ILE  61 -11.716  26.510 -14.834
  462   2HG1  ILE  61          3HG1      ILE  61 -11.721  25.578 -13.360
  463   1HG2  ILE  61          1HG2      ILE  61 -14.206  26.707 -11.877
  464   2HG2  ILE  61          2HG2      ILE  61 -12.550  26.393 -11.305
  465   3HG2  ILE  61          3HG2      ILE  61 -13.248  27.998 -11.126
  466   1HD1  ILE  61          1HD1      ILE  61 -14.207  25.200 -13.659
  467   2HD1  ILE  61          2HD1      ILE  61 -14.089  26.045 -15.222
  468   3HD1  ILE  61          3HD1      ILE  61 -13.208  24.535 -14.959
  469    H    THR  62           H        THR  62 -12.312  30.733 -13.997
  470    HA   THR  62           HA       THR  62 -14.129  32.137 -12.085
  471    HB   THR  62           HB       THR  62 -11.504  31.947 -11.797
  472    HG1  THR  62           HG1      THR  62 -11.712  33.558 -10.451
  473   1HG2  THR  62          1HG2      THR  62 -11.691  34.555 -13.354
  474   2HG2  THR  62          2HG2      THR  62 -10.273  33.862 -12.558
  475   3HG2  THR  62          3HG2      THR  62 -10.965  33.067 -13.998
  476    HA   PRO  63           HA       PRO  63 -15.873  34.520 -15.320
  477   1HB   PRO  63          1HB       PRO  63 -15.024  37.098 -14.010
  478   2HB   PRO  63          2HB       PRO  63 -16.648  36.618 -14.591
  479   1HG   PRO  63          1HG       PRO  63 -16.076  36.536 -11.950
  480   2HG   PRO  63          2HG       PRO  63 -16.968  35.172 -12.709
  481   1HD   PRO  63          1HD       PRO  63 -14.013  35.366 -12.075
  482   2HD   PRO  63          2HD       PRO  63 -15.149  34.022 -11.744
  483    H    ASN  64           H        ASN  64 -15.679  36.236 -16.925
  484    HA   ASN  64           HA       ASN  64 -13.635  36.395 -18.708
  485   1HB   ASN  64          1HB       ASN  64 -15.804  37.230 -19.154
  486   2HB   ASN  64          2HB       ASN  64 -15.747  38.365 -17.806
  487   1HD2  ASN  64          2HD2      ASN  64 -14.588  40.295 -17.989
  488   2HD2  ASN  64          1HD2      ASN  64 -14.267  40.980 -19.577
  489    HA   PRO  65           HA       PRO  65 -10.653  38.164 -15.910
  490   1HB   PRO  65          1HB       PRO  65  -8.333  37.712 -17.241
  491   2HB   PRO  65          2HB       PRO  65  -9.363  36.391 -16.609
  492   1HG   PRO  65          1HG       PRO  65  -9.333  37.489 -19.446
  493   2HG   PRO  65          2HG       PRO  65  -9.160  35.782 -18.917
  494   1HD   PRO  65          1HD       PRO  65 -11.569  36.821 -19.653
  495   2HD   PRO  65          2HD       PRO  65 -11.434  35.650 -18.305
  496    H    THR  66           H        THR  66  -9.747  40.122 -15.472
  497    HA   THR  66           HA       THR  66  -9.205  42.048 -17.665
  498    HB   THR  66           HB       THR  66 -10.247  43.871 -16.354
  499    HG1  THR  66           HG1      THR  66 -11.740  43.292 -14.721
  500   1HG2  THR  66          1HG2      THR  66 -12.234  41.664 -17.026
  501   2HG2  THR  66          2HG2      THR  66 -12.560  43.405 -16.866
  502   3HG2  THR  66          3HG2      THR  66 -11.543  42.824 -18.180
  503    H    MET  67           H        MET  67  -7.867  43.780 -17.134
  504    HA   MET  67           HA       MET  67  -6.302  43.543 -14.611
  505   1HB   MET  67          1HB       MET  67  -5.196  43.133 -17.114
  506   2HB   MET  67          2HB       MET  67  -4.905  44.861 -16.879
  507   1HG   MET  67          1HG       MET  67  -4.240  42.663 -14.874
  508   2HG   MET  67          2HG       MET  67  -3.085  43.315 -16.020
  509   1HE   MET  67          1HE       MET  67  -2.602  44.484 -12.045
  510   2HE   MET  67          2HE       MET  67  -3.798  43.249 -12.474
  511   3HE   MET  67          3HE       MET  67  -2.159  43.170 -13.162
  512    H    GLU  68           H        GLU  68  -6.053  45.452 -13.451
  513    HA   GLU  68           HA       GLU  68  -7.747  47.728 -14.342
  514   1HB   GLU  68          1HB       GLU  68  -8.102  46.170 -11.754
  515   2HB   GLU  68          2HB       GLU  68  -9.037  47.551 -12.287
  516   1HG   GLU  68          1HG       GLU  68 -10.001  46.220 -14.129
  517   2HG   GLU  68          2HG       GLU  68  -9.055  44.808 -13.618
  518    H    ASN  69           H        ASN  69  -7.815  49.427 -12.601
  519    HA   ASN  69           HA       ASN  69  -5.201  49.890 -11.269
  520   1HB   ASN  69          1HB       ASN  69  -6.258  52.171 -10.880
  521   2HB   ASN  69          2HB       ASN  69  -5.934  51.740 -12.559
  522   1HD2  ASN  69          2HD2      ASN  69  -7.528  53.341 -13.285
  523   2HD2  ASN  69          1HD2      ASN  69  -9.230  52.916 -13.116
  524    H    ASN  70           H        ASN  70  -8.170  48.493 -10.590
  525    HA   ASN  70           HA       ASN  70  -7.952  48.929  -7.648
  526   1HB   ASN  70          1HB       ASN  70 -10.362  49.112  -7.543
  527   2HB   ASN  70          2HB       ASN  70  -9.730  50.315  -8.660
  528   1HD2  ASN  70          1HD2      ASN  70 -10.092  49.945 -11.066
  529   2HD2  ASN  70          2HD2      ASN  70 -11.346  48.739 -11.475
  530    H    GLY  71           H        GLY  71  -6.845  46.741  -9.266
  531   1HA   GLY  71          1HA       GLY  71  -6.827  44.501  -7.951
  532   2HA   GLY  71          2HA       GLY  71  -8.490  44.372  -8.544
  533    H    GLY  72           H        GLY  72  -8.106  42.589  -9.835
  534   1HA   GLY  72          1HA       GLY  72  -8.083  41.903 -12.082
  535   2HA   GLY  72          2HA       GLY  72  -7.093  43.290 -12.500
  536    H    GLY  73           H        GLY  73  -6.492  41.163 -13.752
  537   1HA   GLY  73          1HA       GLY  73  -4.410  40.326 -14.431
  538   2HA   GLY  73          2HA       GLY  73  -3.761  40.577 -12.825
  539    H    PHE  74           H        PHE  74  -6.419  38.839 -12.022
  540    HA   PHE  74           HA       PHE  74  -4.874  36.292 -12.116
  541   1HB   PHE  74          1HB       PHE  74  -5.411  37.203  -9.889
  542   2HB   PHE  74          2HB       PHE  74  -7.129  37.177 -10.283
  543    HD1  PHE  74           HD1      PHE  74  -4.113  34.948  -9.974
  544    HD2  PHE  74           HD2      PHE  74  -8.423  35.181  -9.953
  545    HE1  PHE  74           HE1      PHE  74  -4.243  32.548  -9.393
  546    HE2  PHE  74           HE2      PHE  74  -8.538  32.770  -9.352
  547    HZ   PHE  74           HZ       PHE  74  -6.460  31.461  -9.069
  548    H    ILE  75           H        ILE  75  -5.747  34.313 -12.602
  549    HA   ILE  75           HA       ILE  75  -8.408  34.131 -13.913
  550    HB   ILE  75           HB       ILE  75  -5.779  33.255 -15.114
  551   1HG1  ILE  75          2HG1      ILE  75  -7.384  35.699 -15.855
  552   2HG1  ILE  75          3HG1      ILE  75  -5.757  35.661 -15.174
  553   1HG2  ILE  75          1HG2      ILE  75  -7.695  31.844 -15.814
  554   2HG2  ILE  75          2HG2      ILE  75  -8.540  33.303 -16.389
  555   3HG2  ILE  75          3HG2      ILE  75  -7.036  32.731 -17.149
  556   1HD1  ILE  75          1HD1      ILE  75  -4.910  34.519 -17.192
  557   2HD1  ILE  75          2HD1      ILE  75  -6.528  34.708 -17.911
  558   3HD1  ILE  75          3HD1      ILE  75  -5.570  36.141 -17.485
  559    H    GLU  76           H        GLU  76  -9.300  32.073 -13.758
  560    HA   GLU  76           HA       GLU  76  -7.544  29.779 -13.280
  561   1HB   GLU  76          1HB       GLU  76  -8.673  30.276 -11.090
  562   2HB   GLU  76          2HB       GLU  76 -10.236  29.990 -11.876
  563   1HG   GLU  76          1HG       GLU  76  -9.524  27.688 -12.479
  564   2HG   GLU  76          2HG       GLU  76  -7.946  27.969 -11.781
  565    H    MET  77           H        MET  77  -7.892  28.226 -14.758
  566    HA   MET  77           HA       MET  77 -10.487  27.949 -16.154
  567   1HB   MET  77          1HB       MET  77  -9.303  27.833 -18.360
  568   2HB   MET  77          2HB       MET  77  -9.298  29.445 -17.641
  569   1HG   MET  77          1HG       MET  77  -7.014  29.258 -16.961
  570   2HG   MET  77          2HG       MET  77  -6.983  27.529 -17.274
  571   1HE   MET  77          1HE       MET  77  -8.152  30.677 -19.445
  572   2HE   MET  77          2HE       MET  77  -6.555  31.112 -18.784
  573   3HE   MET  77          3HE       MET  77  -6.745  30.805 -20.523
  574    H    GLN  78           H        GLN  78 -10.632  25.908 -17.404
  575    HA   GLN  78           HA       GLN  78  -8.722  23.809 -16.468
  576   1HB   GLN  78          1HB       GLN  78 -10.953  23.790 -15.337
  577   2HB   GLN  78          2HB       GLN  78 -11.709  23.438 -16.894
  578   1HG   GLN  78          1HG       GLN  78 -10.582  21.301 -17.033
  579   2HG   GLN  78          2HG       GLN  78  -9.475  21.725 -15.718
  580   1HE2  GLN  78          2HE2      GLN  78  -9.946  20.576 -13.836
  581   2HE2  GLN  78          1HE2      GLN  78 -11.622  20.238 -13.367
  582    H    LEU  79           H        LEU  79  -8.313  22.086 -17.878
  583    HA   LEU  79           HA       LEU  79  -8.612  22.699 -20.760
  584   1HB   LEU  79          1HB       LEU  79  -6.061  22.587 -19.073
  585   2HB   LEU  79          2HB       LEU  79  -6.058  22.380 -20.810
  586    HG   LEU  79           HG       LEU  79  -7.289  24.686 -20.895
  587   1HD1  LEU  79          1HD1      LEU  79  -6.920  24.556 -18.055
  588   2HD1  LEU  79          2HD1      LEU  79  -5.742  25.716 -18.646
  589   3HD1  LEU  79          3HD1      LEU  79  -7.458  25.925 -19.038
  590   1HD2  LEU  79          1HD2      LEU  79  -5.136  24.322 -21.829
  591   2HD2  LEU  79          2HD2      LEU  79  -5.014  25.774 -20.815
  592   3HD2  LEU  79          3HD2      LEU  79  -4.365  24.231 -20.227
  593    HA   PRO  80           HA       PRO  80  -8.215  18.223 -21.304
  594   1HB   PRO  80          1HB       PRO  80  -6.540  18.612 -23.710
  595   2HB   PRO  80          2HB       PRO  80  -8.176  17.921 -23.576
  596   1HG   PRO  80          1HG       PRO  80  -7.648  20.395 -24.707
  597   2HG   PRO  80          2HG       PRO  80  -9.189  19.991 -23.882
  598   1HD   PRO  80          1HD       PRO  80  -6.808  21.486 -22.801
  599   2HD   PRO  80          2HD       PRO  80  -8.554  21.835 -22.624
  600    HA   PRO  81           HA       PRO  81  -4.089  17.440 -19.458
  601   1HB   PRO  81          1HB       PRO  81  -4.861  14.669 -20.366
  602   2HB   PRO  81          2HB       PRO  81  -4.044  15.174 -18.849
  603   1HG   PRO  81          1HG       PRO  81  -6.694  14.686 -18.808
  604   2HG   PRO  81          2HG       PRO  81  -6.065  16.168 -18.014
  605   1HD   PRO  81          1HD       PRO  81  -7.351  15.910 -20.742
  606   2HD   PRO  81          2HD       PRO  81  -7.637  17.131 -19.460
  607    H    GLY  82           H        GLY  82  -2.059  17.335 -20.173
  608   1HA   GLY  82          1HA       GLY  82  -0.414  16.545 -21.918
  609   2HA   GLY  82          2HA       GLY  82  -1.623  16.980 -23.131
  610    H    ASP  83           H        ASP  83   0.522  18.169 -23.783
  611    HA   ASP  83           HA       ASP  83   1.098  20.660 -22.404
  612   1HB   ASP  83          1HB       ASP  83   2.812  19.486 -23.712
  613   2HB   ASP  83          2HB       ASP  83   1.883  19.724 -25.181
  614    H    ASN  84           H        ASN  84  -0.079  22.373 -22.410
  615    HA   ASN  84           HA       ASN  84  -1.583  23.213 -24.853
  616   1HB   ASN  84          1HB       ASN  84  -2.415  23.611 -21.945
  617   2HB   ASN  84          2HB       ASN  84  -3.242  24.244 -23.369
  618   1HD2  ASN  84          2HD2      ASN  84  -2.405  21.121 -21.687
  619   2HD2  ASN  84          1HD2      ASN  84  -3.930  20.407 -22.205
  620    H    ILE  85           H        ILE  85  -0.722  25.071 -25.623
  621    HA   ILE  85           HA       ILE  85   1.129  26.640 -23.916
  622    HB   ILE  85           HB       ILE  85   0.380  27.122 -26.819
  623   1HG1  ILE  85          2HG1      ILE  85   3.057  26.347 -26.718
  624   2HG1  ILE  85          3HG1      ILE  85   2.321  25.294 -25.518
  625   1HG2  ILE  85          1HG2      ILE  85   1.116  29.150 -25.667
  626   2HG2  ILE  85          2HG2      ILE  85   2.540  28.300 -25.021
  627   3HG2  ILE  85          3HG2      ILE  85   2.376  28.588 -26.768
  628   1HD1  ILE  85          1HD1      ILE  85   1.467  25.572 -28.426
  629   2HD1  ILE  85          2HD1      ILE  85   2.354  24.214 -27.703
  630   3HD1  ILE  85          3HD1      ILE  85   0.671  24.522 -27.230
  631    H    ILE  86           H        ILE  86   0.186  27.869 -22.468
  632    HA   ILE  86           HA       ILE  86  -2.486  29.052 -22.999
  633    HB   ILE  86           HB       ILE  86  -0.943  29.021 -20.403
  634   1HG1  ILE  86          2HG1      ILE  86  -2.994  27.085 -21.545
  635   2HG1  ILE  86          3HG1      ILE  86  -1.359  26.736 -21.011
  636   1HG2  ILE  86          1HG2      ILE  86  -2.645  30.815 -20.560
  637   2HG2  ILE  86          2HG2      ILE  86  -3.865  29.633 -21.085
  638   3HG2  ILE  86          3HG2      ILE  86  -3.180  29.573 -19.456
  639   1HD1  ILE  86          1HD1      ILE  86  -2.033  27.273 -18.674
  640   2HD1  ILE  86          2HD1      ILE  86  -3.721  27.403 -19.231
  641   3HD1  ILE  86          3HD1      ILE  86  -2.855  25.874 -19.376
  642    H    TYR  87           H        TYR  87  -2.869  31.168 -23.177
  643    HA   TYR  87           HA       TYR  87  -0.487  32.948 -23.483
  644   1HB   TYR  87          1HB       TYR  87  -3.070  32.641 -24.989
  645   2HB   TYR  87          2HB       TYR  87  -2.129  34.105 -25.110
  646    HD1  TYR  87           HD1      TYR  87  -0.091  34.252 -26.269
  647    HD2  TYR  87           HD2      TYR  87  -2.131  30.476 -25.953
  648    HE1  TYR  87           HE1      TYR  87   1.214  33.394 -28.182
  649    HE2  TYR  87           HE2      TYR  87  -0.735  29.571 -27.792
  650    HH   TYR  87           HH       TYR  87   0.766  30.063 -29.424
  651    H    VAL  88           H        VAL  88  -0.566  34.945 -22.885
  652    HA   VAL  88           HA       VAL  88  -3.130  36.229 -22.145
  653    HB   VAL  88           HB       VAL  88  -0.547  36.418 -20.562
  654   1HG1  VAL  88          1HG1      VAL  88  -0.989  38.638 -20.668
  655   2HG1  VAL  88          2HG1      VAL  88  -2.714  38.446 -21.002
  656   3HG1  VAL  88          3HG1      VAL  88  -2.102  38.245 -19.355
  657   1HG2  VAL  88          1HG2      VAL  88  -1.968  35.919 -18.666
  658   2HG2  VAL  88          2HG2      VAL  88  -3.432  36.042 -19.647
  659   3HG2  VAL  88          3HG2      VAL  88  -2.298  34.703 -19.896
  660    H    GLY  89           H        GLY  89  -3.256  36.774 -24.295
  661   1HA   GLY  89          1HA       GLY  89  -2.976  38.252 -26.040
  662   2HA   GLY  89          2HA       GLY  89  -1.514  38.903 -25.266
  663    H    GLU  90           H        GLU  90   0.344  38.432 -26.216
  664    HA   GLU  90           HA       GLU  90   0.647  35.841 -27.673
  665   1HB   GLU  90          1HB       GLU  90   0.701  38.009 -29.080
  666   2HB   GLU  90          2HB       GLU  90   2.252  38.318 -28.325
  667   1HG   GLU  90          1HG       GLU  90   2.416  37.265 -30.564
  668   2HG   GLU  90          2HG       GLU  90   3.179  36.294 -29.311
  669    H    LEU  91           H        LEU  91   1.648  37.718 -24.988
  670    HA   LEU  91           HA       LEU  91   4.014  36.205 -24.284
  671   1HB   LEU  91          1HB       LEU  91   3.364  38.235 -23.031
  672   2HB   LEU  91          2HB       LEU  91   1.811  37.510 -22.642
  673    HG   LEU  91           HG       LEU  91   3.077  35.673 -21.380
  674   1HD1  LEU  91          1HD1      LEU  91   5.336  36.246 -20.591
  675   2HD1  LEU  91          2HD1      LEU  91   5.334  36.075 -22.351
  676   3HD1  LEU  91          3HD1      LEU  91   5.349  37.695 -21.620
  677   1HD2  LEU  91          1HD2      LEU  91   3.333  37.021 -19.384
  678   2HD2  LEU  91          2HD2      LEU  91   3.336  38.509 -20.364
  679   3HD2  LEU  91          3HD2      LEU  91   1.874  37.497 -20.264
  680    H    LYS  92           H        LYS  92   4.118  34.143 -23.571
  681    HA   LYS  92           HA       LYS  92   1.645  32.563 -23.199
  682   1HB   LYS  92          1HB       LYS  92   2.280  30.989 -24.905
  683   2HB   LYS  92          2HB       LYS  92   2.197  32.604 -25.577
  684   1HG   LYS  92          1HG       LYS  92   4.779  32.702 -25.309
  685   2HG   LYS  92          2HG       LYS  92   4.682  30.972 -24.965
  686   1HD   LYS  92          1HD       LYS  92   5.161  31.110 -27.288
  687   2HD   LYS  92          2HD       LYS  92   3.431  30.740 -27.200
  688   1HE   LYS  92          HE2       LYS  92   3.076  33.304 -27.326
  689   2HE   LYS  92          HE3       LYS  92   4.763  33.429 -27.787
  690   1HZ   LYS  92          HZ1       LYS  92   2.741  31.792 -29.228
  691   2HZ   LYS  92          HZ2       LYS  92   3.102  33.299 -29.665
  692   3HZ   LYS  92          HZ3       LYS  92   4.281  32.126 -29.756
  693    H    HIS  93           H        HIS  93   2.079  30.307 -22.592
  694    HA   HIS  93           HA       HIS  93   4.730  29.558 -21.565
  695   1HB   HIS  93          1HB       HIS  93   3.612  30.875 -19.714
  696   2HB   HIS  93          2HB       HIS  93   2.316  29.688 -19.716
  697    HD1  HIS  93           HD1      HIS  93   3.034  27.194 -18.703
  698    HD2  HIS  93           HD2      HIS  93   5.949  30.241 -18.612
  699    HE1  HIS  93           HE1      HIS  93   4.838  26.422 -17.103
  700    H    GLN  94           H        GLN  94   5.010  27.347 -21.841
  701    HA   GLN  94           HA       GLN  94   2.856  25.604 -22.787
  702   1HB   GLN  94          1HB       GLN  94   5.802  25.279 -22.155
  703   2HB   GLN  94          2HB       GLN  94   4.760  23.855 -22.289
  704   1HG   GLN  94          1HG       GLN  94   4.045  24.502 -24.522
  705   2HG   GLN  94          2HG       GLN  94   5.042  25.967 -24.462
  706   1HE2  GLN  94          2HE2      GLN  94   4.972  22.528 -25.209
  707   2HE2  GLN  94          1HE2      GLN  94   6.731  22.463 -25.507
  708    H    TRP  95           H        TRP  95   1.325  24.818 -21.471
  709    HA   TRP  95           HA       TRP  95   2.051  24.118 -18.660
  710   1HB   TRP  95          1HB       TRP  95   0.347  25.829 -18.736
  711   2HB   TRP  95          2HB       TRP  95  -0.604  24.876 -19.878
  712    HD1  TRP  95           HD1      TRP  95  -2.486  23.606 -18.844
  713    HE1  TRP  95           HE1      TRP  95  -3.010  22.444 -16.586
  714    HE3  TRP  95           HE3      TRP  95   1.870  24.640 -16.341
  715    HZ2  TRP  95           HZ2      TRP  95  -1.673  21.913 -14.135
  716    HZ3  TRP  95           HZ3      TRP  95   2.265  23.674 -14.101
  717    HH2  TRP  95           HH2      TRP  95   0.523  22.302 -12.994
  718    H    PHE  96           H        PHE  96   2.575  22.070 -18.569
  719    HA   PHE  96           HA       PHE  96   1.286  19.940 -20.086
  720   1HB   PHE  96          1HB       PHE  96   3.098  19.804 -17.648
  721   2HB   PHE  96          2HB       PHE  96   2.676  18.473 -18.721
  722    HD1  PHE  96           HD1      PHE  96   3.125  19.197 -21.386
  723    HD2  PHE  96           HD2      PHE  96   5.277  20.615 -17.928
  724    HE1  PHE  96           HE1      PHE  96   5.065  19.784 -22.825
  725    HE2  PHE  96           HE2      PHE  96   7.213  21.180 -19.369
  726    HZ   PHE  96           HZ       PHE  96   7.107  20.772 -21.819
  727    H    GLN  97           H        GLN  97  -0.886  20.163 -19.686
  728    HA   GLN  97           HA       GLN  97  -2.047  20.494 -17.075
  729   1HB   GLN  97          1HB       GLN  97  -3.148  21.304 -19.098
  730   2HB   GLN  97          2HB       GLN  97  -3.131  19.696 -19.795
  731   1HG   GLN  97          1HG       GLN  97  -5.342  20.295 -19.154
  732   2HG   GLN  97          2HG       GLN  97  -4.823  18.917 -18.201
  733   1HE2  GLN  97          2HE2      GLN  97  -7.018  20.174 -17.420
  734   2HE2  GLN  97          1HE2      GLN  97  -6.597  20.835 -15.820
  735    H    LYS  98           H        LYS  98  -2.981  19.155 -15.703
  736    HA   LYS  98           HA       LYS  98  -3.119  16.248 -16.300
  737   1HB   LYS  98          1HB       LYS  98  -2.714  15.691 -14.010
  738   2HB   LYS  98          2HB       LYS  98  -1.337  16.583 -14.635
  739   1HG   LYS  98          1HG       LYS  98  -1.705  18.427 -13.255
  740   2HG   LYS  98          2HG       LYS  98  -3.446  18.147 -13.143
  741   1HD   LYS  98          1HD       LYS  98  -3.064  16.153 -11.721
  742   2HD   LYS  98          2HD       LYS  98  -1.317  16.419 -11.813
  743   1HE   LYS  98          HE2       LYS  98  -2.242  17.219  -9.683
  744   2HE   LYS  98          HE3       LYS  98  -1.547  18.552 -10.624
  745   1HZ   LYS  98          HZ1       LYS  98  -3.718  19.214 -11.294
  746   2HZ   LYS  98          HZ2       LYS  98  -4.476  17.935 -10.544
  747   3HZ   LYS  98          HZ3       LYS  98  -3.707  19.194  -9.723
  748    H    GLY  99           H        GLY  99  -4.902  15.127 -15.317
  749   1HA   GLY  99          1HA       GLY  99  -7.115  15.666 -13.984
  750   2HA   GLY  99          2HA       GLY  99  -7.356  16.692 -15.416
  Start of MODEL    9
    1   1H    ILE   1           H1       ILE   1 -10.357  45.283  -7.968
    2   2H    ILE   1           H2       ILE   1 -11.041  45.426  -9.471
    3   3H    ILE   1           H3       ILE   1 -11.859  45.890  -8.150
    4    HA   ILE   1           HA       ILE   1 -11.100  43.150  -8.923
    5    HB   ILE   1           HB       ILE   1 -12.482  42.399  -6.952
    6   1HG1  ILE   1          2HG1      ILE   1 -11.794  45.132  -5.764
    7   2HG1  ILE   1          3HG1      ILE   1 -13.394  44.757  -6.405
    8   1HG2  ILE   1          1HG2      ILE   1 -10.492  42.389  -5.551
    9   2HG2  ILE   1          2HG2      ILE   1 -10.003  42.237  -7.236
   10   3HG2  ILE   1          3HG2      ILE   1  -9.821  43.794  -6.391
   11   1HD1  ILE   1          1HD1      ILE   1 -12.029  43.316  -4.095
   12   2HD1  ILE   1          2HD1      ILE   1 -13.404  44.430  -4.008
   13   3HD1  ILE   1          3HD1      ILE   1 -13.597  42.858  -4.807
   14    H    SER   2           H        SER   2 -12.015  43.865 -10.865
   15    HA   SER   2           HA       SER   2 -14.970  43.699 -11.037
   16   1HB   SER   2          1HB       SER   2 -15.095  45.760 -12.273
   17   2HB   SER   2          2HB       SER   2 -14.427  46.051 -10.671
   18    HG   SER   2           HG       SER   2 -12.243  45.994 -11.751
   19    H    LYS   3           H        LYS   3 -14.848  41.772 -12.076
   20    HA   LYS   3           HA       LYS   3 -13.199  41.373 -14.485
   21   1HB   LYS   3          1HB       LYS   3 -15.244  39.596 -13.136
   22   2HB   LYS   3          2HB       LYS   3 -14.212  39.131 -14.493
   23   1HG   LYS   3          1HG       LYS   3 -13.152  40.061 -11.777
   24   2HG   LYS   3          2HG       LYS   3 -13.399  38.385 -12.209
   25   1HD   LYS   3          1HD       LYS   3 -11.525  38.232 -13.422
   26   2HD   LYS   3          2HD       LYS   3 -11.704  39.798 -14.190
   27   1HE   LYS   3          HE2       LYS   3 -11.032  39.852 -11.268
   28   2HE   LYS   3          HE3       LYS   3  -9.794  39.152 -12.313
   29   1HZ   LYS   3          HZ1       LYS   3 -10.833  41.614 -13.358
   30   2HZ   LYS   3          HZ2       LYS   3 -10.136  41.887 -11.930
   31   3HZ   LYS   3          HZ3       LYS   3  -9.305  41.183 -13.194
   32    H    GLY   4           H        GLY   4 -14.263  43.473 -15.022
   33   1HA   GLY   4          1HA       GLY   4 -16.862  43.858 -15.939
   34   2HA   GLY   4          2HA       GLY   4 -15.449  44.786 -16.439
   35    H    LEU   5           H        LEU   5 -17.605  42.224 -17.220
   36    HA   LEU   5           HA       LEU   5 -16.634  41.150 -19.588
   37   1HB   LEU   5          1HB       LEU   5 -19.542  41.865 -19.063
   38   2HB   LEU   5          2HB       LEU   5 -18.933  40.584 -20.106
   39    HG   LEU   5           HG       LEU   5 -18.811  40.678 -17.059
   40   1HD1  LEU   5          1HD1      LEU   5 -21.021  40.136 -18.045
   41   2HD1  LEU   5          2HD1      LEU   5 -20.278  38.813 -18.971
   42   3HD1  LEU   5          3HD1      LEU   5 -20.313  38.752 -17.196
   43   1HD2  LEU   5          1HD2      LEU   5 -16.794  39.568 -17.851
   44   2HD2  LEU   5          2HD2      LEU   5 -17.914  38.364 -17.213
   45   3HD2  LEU   5          3HD2      LEU   5 -17.751  38.562 -18.976
   46    H    THR   6           H        THR   6 -17.535  44.431 -19.167
   47    HA   THR   6           HA       THR   6 -17.987  44.989 -22.037
   48    HB   THR   6           HB       THR   6 -18.742  47.193 -21.148
   49    HG1  THR   6           HG1      THR   6 -18.995  47.312 -18.881
   50   1HG2  THR   6          1HG2      THR   6 -20.374  45.289 -21.409
   51   2HG2  THR   6          2HG2      THR   6 -20.114  44.883 -19.698
   52   3HG2  THR   6          3HG2      THR   6 -20.820  46.448 -20.145
   53    H    TYR   7           H        TYR   7 -15.293  45.057 -19.858
   54    HA   TYR   7           HA       TYR   7 -14.184  47.593 -20.691
   55   1HB   TYR   7          1HB       TYR   7 -12.793  45.128 -19.588
   56   2HB   TYR   7          2HB       TYR   7 -12.090  46.732 -19.718
   57    HD1  TYR   7           HD1      TYR   7 -14.964  48.031 -18.648
   58    HD2  TYR   7           HD2      TYR   7 -12.028  45.192 -17.262
   59    HE1  TYR   7           HE1      TYR   7 -15.484  48.624 -16.298
   60    HE2  TYR   7           HE2      TYR   7 -12.536  45.825 -14.907
   61    HH   TYR   7           HH       TYR   7 -13.814  47.113 -13.488
   62    H    THR   8           H        THR   8 -12.281  48.002 -22.020
   63    HA   THR   8           HA       THR   8 -12.368  46.761 -24.588
   64    HB   THR   8           HB       THR   8 -10.075  48.192 -24.657
   65    HG1  THR   8           HG1      THR   8 -10.369  49.972 -23.227
   66   1HG2  THR   8          1HG2      THR   8 -11.413  50.159 -25.270
   67   2HG2  THR   8          2HG2      THR   8 -12.106  48.681 -25.955
   68   3HG2  THR   8          3HG2      THR   8 -12.854  49.428 -24.524
   69    H    MET   9           H        MET   9 -10.533  45.831 -25.711
   70    HA   MET   9           HA       MET   9  -9.362  43.575 -24.341
   71   1HB   MET   9          1HB       MET   9  -8.766  44.807 -27.070
   72   2HB   MET   9          2HB       MET   9  -8.257  43.205 -26.530
   73   1HG   MET   9          1HG       MET   9 -11.153  44.098 -26.873
   74   2HG   MET   9          2HG       MET   9 -10.222  43.171 -28.040
   75   1HE   MET   9          1HE       MET   9 -13.158  42.199 -26.801
   76   2HE   MET   9          2HE       MET   9 -12.198  41.585 -28.169
   77   3HE   MET   9          3HE       MET   9 -12.725  40.476 -26.884
   78    H    CYS  10           H        CYS  10  -7.387  43.435 -23.279
   79    HA   CYS  10           HA       CYS  10  -5.616  45.720 -23.064
   80   1HB   CYS  10          1HB       CYS  10  -5.061  42.793 -22.550
   81   2HB   CYS  10          2HB       CYS  10  -4.078  44.119 -22.007
   82    H    ASP  11           H        ASP  11  -3.638  46.101 -24.045
   83    HA   ASP  11           HA       ASP  11  -2.930  45.322 -26.652
   84   1HB   ASP  11          1HB       ASP  11  -2.097  47.315 -25.583
   85   2HB   ASP  11          2HB       ASP  11  -1.346  46.392 -24.293
   86    H    LYS  12           H        LYS  12  -2.037  43.537 -27.495
   87    HA   LYS  12           HA       LYS  12  -1.782  41.187 -25.901
   88   1HB   LYS  12          1HB       LYS  12  -0.995  41.609 -28.814
   89   2HB   LYS  12          2HB       LYS  12  -1.237  40.057 -28.006
   90   1HG   LYS  12          1HG       LYS  12  -3.631  40.896 -27.468
   91   2HG   LYS  12          2HG       LYS  12  -3.341  42.136 -28.694
   92   1HD   LYS  12          1HD       LYS  12  -3.187  39.113 -29.089
   93   2HD   LYS  12          2HD       LYS  12  -4.526  40.154 -29.595
   94   1HE   LYS  12          HE2       LYS  12  -3.140  41.293 -31.226
   95   2HE   LYS  12          HE3       LYS  12  -1.677  40.504 -30.608
   96   1HZ   LYS  12          HZ1       LYS  12  -2.476  38.400 -31.306
   97   2HZ   LYS  12          HZ2       LYS  12  -3.919  39.015 -31.827
   98   3HZ   LYS  12          HZ3       LYS  12  -2.509  39.402 -32.603
   99    H    ALA  13           H        ALA  13   0.600  43.539 -26.193
  100    HA   ALA  13           HA       ALA  13   2.803  41.540 -25.785
  101   1HB   ALA  13          1HB       ALA  13   2.851  42.623 -28.006
  102   2HB   ALA  13          2HB       ALA  13   2.907  44.220 -27.221
  103   3HB   ALA  13          3HB       ALA  13   4.250  43.072 -27.010
  104    H    LYS  14           H        LYS  14   1.384  44.548 -24.607
  105    HA   LYS  14           HA       LYS  14   3.528  45.406 -22.912
  106   1HB   LYS  14          1HB       LYS  14   0.531  45.763 -22.728
  107   2HB   LYS  14          2HB       LYS  14   1.627  46.657 -21.695
  108   1HG   LYS  14          1HG       LYS  14   1.931  46.718 -24.688
  109   2HG   LYS  14          2HG       LYS  14   0.705  47.715 -23.884
  110   1HD   LYS  14          1HD       LYS  14   2.295  49.098 -22.898
  111   2HD   LYS  14          2HD       LYS  14   3.596  47.901 -23.057
  112   1HE   LYS  14          HE2       LYS  14   3.781  49.785 -24.710
  113   2HE   LYS  14          HE3       LYS  14   3.740  48.167 -25.419
  114   1HZ   LYS  14          HZ1       LYS  14   1.401  48.488 -25.998
  115   2HZ   LYS  14          HZ2       LYS  14   1.398  49.978 -25.307
  116   3HZ   LYS  14          HZ3       LYS  14   2.314  49.679 -26.644
  117    H    PHE  15           H        PHE  15   2.109  42.491 -22.518
  118    HA   PHE  15           HA       PHE  15   1.589  42.492 -19.630
  119   1HB   PHE  15          1HB       PHE  15   1.493  40.450 -21.869
  120   2HB   PHE  15          2HB       PHE  15   1.333  39.954 -20.195
  121    HD1  PHE  15           HD1      PHE  15  -0.433  41.007 -18.716
  122    HD2  PHE  15           HD2      PHE  15  -0.466  41.290 -23.022
  123    HE1  PHE  15           HE1      PHE  15  -2.892  41.390 -18.677
  124    HE2  PHE  15           HE2      PHE  15  -2.898  41.686 -22.977
  125    HZ   PHE  15           HZ       PHE  15  -4.121  41.693 -20.785
  126    H    THR  16           H        THR  16   2.449  41.030 -18.174
  127    HA   THR  16           HA       THR  16   5.010  39.639 -18.631
  128    HB   THR  16           HB       THR  16   5.685  40.549 -16.269
  129    HG1  THR  16           HG1      THR  16   3.587  42.185 -16.934
  130   1HG2  THR  16          1HG2      THR  16   6.956  42.389 -17.216
  131   2HG2  THR  16          2HG2      THR  16   6.997  40.985 -18.297
  132   3HG2  THR  16          3HG2      THR  16   5.957  42.377 -18.683
  133    H    TRP  17           H        TRP  17   5.103  37.727 -17.436
  134    HA   TRP  17           HA       TRP  17   2.740  36.762 -16.092
  135   1HB   TRP  17          1HB       TRP  17   5.551  35.672 -16.372
  136   2HB   TRP  17          2HB       TRP  17   4.304  34.869 -15.434
  137    HD1  TRP  17           HD1      TRP  17   5.755  34.641 -18.695
  138    HE1  TRP  17           HE1      TRP  17   4.254  33.362 -20.350
  139    HE3  TRP  17           HE3      TRP  17   1.347  34.790 -16.069
  140    HZ2  TRP  17           HZ2      TRP  17   1.452  32.627 -20.553
  141    HZ3  TRP  17           HZ3      TRP  17  -0.718  33.859 -17.058
  142    HH2  TRP  17           HH2      TRP  17  -0.675  32.753 -19.273
  143    H    LYS  18           H        LYS  18   2.084  37.329 -14.157
  144    HA   LYS  18           HA       LYS  18   3.933  38.292 -12.034
  145   1HB   LYS  18          1HB       LYS  18   1.612  39.342 -12.698
  146   2HB   LYS  18          2HB       LYS  18   0.921  37.983 -11.813
  147   1HG   LYS  18          1HG       LYS  18   2.590  38.846  -9.908
  148   2HG   LYS  18          2HG       LYS  18   2.527  40.343 -10.838
  149   1HD   LYS  18          1HD       LYS  18   0.244  38.856  -9.499
  150   2HD   LYS  18          2HD       LYS  18   0.899  40.424  -9.043
  151   1HE   LYS  18          HE2       LYS  18   0.022  41.429 -11.139
  152   2HE   LYS  18          HE3       LYS  18  -0.586  39.852 -11.644
  153   1HZ   LYS  18          HZ1       LYS  18  -1.963  39.848  -9.585
  154   2HZ   LYS  18          HZ2       LYS  18  -1.538  41.401  -9.308
  155   3HZ   LYS  18          HZ3       LYS  18  -2.416  41.017 -10.654
  156    H    ARG  19           H        ARG  19   1.744  35.674 -12.861
  157    HA   ARG  19           HA       ARG  19   3.160  33.755 -11.096
  158   1HB   ARG  19          1HB       ARG  19   1.040  34.718  -9.949
  159   2HB   ARG  19          2HB       ARG  19   0.130  33.882 -11.211
  160   1HG   ARG  19          1HG       ARG  19   1.355  31.743 -10.415
  161   2HG   ARG  19          2HG       ARG  19   1.767  32.693  -8.977
  162   1HD   ARG  19          1HD       ARG  19  -1.008  32.023 -10.053
  163   2HD   ARG  19          2HD       ARG  19  -0.260  31.407  -8.581
  164    HE   ARG  19           HE       ARG  19  -0.889  34.358  -8.874
  165   1HH1  ARG  19          1HH1      ARG  19  -1.540  31.410  -7.059
  166   2HH1  ARG  19          2HH1      ARG  19  -2.488  32.289  -5.887
  167   1HH2  ARG  19          1HH2      ARG  19  -2.028  35.332  -7.505
  168   2HH2  ARG  19          2HH2      ARG  19  -2.763  34.542  -6.101
  169    H    ALA  20           H        ALA  20   3.940  32.409 -12.719
  170    HA   ALA  20           HA       ALA  20   2.735  32.130 -15.285
  171   1HB   ALA  20          1HB       ALA  20   4.704  30.326 -13.811
  172   2HB   ALA  20          2HB       ALA  20   4.353  30.259 -15.547
  173   3HB   ALA  20          3HB       ALA  20   5.116  31.705 -14.861
  174    HA   PRO  21           HA       PRO  21  -0.555  29.202 -14.823
  175   1HB   PRO  21          1HB       PRO  21   0.798  27.575 -16.969
  176   2HB   PRO  21          2HB       PRO  21  -0.936  28.001 -16.773
  177   1HG   PRO  21          1HG       PRO  21   0.599  29.411 -18.484
  178   2HG   PRO  21          2HG       PRO  21  -0.516  30.279 -17.390
  179   1HD   PRO  21          1HD       PRO  21   2.461  29.850 -17.053
  180   2HD   PRO  21          2HD       PRO  21   1.498  31.336 -16.812
  181    H    THR  22           H        THR  22  -0.861  27.975 -13.179
  182    HA   THR  22           HA       THR  22   0.662  25.469 -12.830
  183    HB   THR  22           HB       THR  22   1.803  27.165 -11.433
  184    HG1  THR  22           HG1      THR  22   1.411  25.900  -9.446
  185   1HG2  THR  22          1HG2      THR  22  -0.140  28.592 -10.813
  186   2HG2  THR  22          2HG2      THR  22  -0.787  27.258  -9.825
  187   3HG2  THR  22          3HG2      THR  22   0.760  28.020  -9.400
  188    H    ASP  23           H        ASP  23  -0.453  24.185 -10.974
  189    HA   ASP  23           HA       ASP  23  -3.307  24.032 -11.708
  190   1HB   ASP  23          1HB       ASP  23  -1.809  22.004 -11.393
  191   2HB   ASP  23          2HB       ASP  23  -1.863  22.325  -9.660
  192    H    SER  24           H        SER  24  -5.023  24.402 -10.328
  193    HA   SER  24           HA       SER  24  -4.730  26.375  -8.216
  194   1HB   SER  24          1HB       SER  24  -7.216  26.075  -8.134
  195   2HB   SER  24          2HB       SER  24  -6.619  26.318  -9.789
  196    HG   SER  24           HG       SER  24  -7.805  24.590 -10.084
  197    H    GLY  25           H        GLY  25  -4.824  22.850  -8.212
  198   1HA   GLY  25          1HA       GLY  25  -4.886  21.454  -6.248
  199   2HA   GLY  25          2HA       GLY  25  -5.671  22.747  -5.341
  200    H    HIS  26           H        HIS  26  -7.184  22.882  -8.289
  201    HA   HIS  26           HA       HIS  26  -9.376  21.029  -7.475
  202   1HB   HIS  26          1HB       HIS  26  -9.689  23.254  -9.463
  203   2HB   HIS  26          2HB       HIS  26 -10.901  22.500  -8.459
  204    HD1  HIS  26           HD1      HIS  26 -10.109  25.770  -8.831
  205    HD2  HIS  26           HD2      HIS  26  -9.493  23.129  -5.562
  206    HE1  HIS  26           HE1      HIS  26  -9.878  27.199  -6.765
  207    H    ASP  27           H        ASP  27  -6.859  20.732  -9.500
  208    HA   ASP  27           HA       ASP  27  -6.360  19.838 -11.529
  209   1HB   ASP  27          1HB       ASP  27  -9.154  18.668 -11.656
  210   2HB   ASP  27          2HB       ASP  27  -7.770  18.241 -12.652
  211    H    THR  28           H        THR  28  -7.451  22.463 -11.145
  212    HA   THR  28           HA       THR  28  -8.064  23.219 -13.961
  213    HB   THR  28           HB       THR  28  -9.203  25.210 -13.133
  214    HG1  THR  28           HG1      THR  28  -9.463  25.577 -10.898
  215   1HG2  THR  28          1HG2      THR  28 -11.161  24.280 -11.927
  216   2HG2  THR  28          2HG2      THR  28 -10.711  23.271 -13.314
  217   3HG2  THR  28          3HG2      THR  28 -10.301  22.759 -11.673
  218    H    VAL  29           H        VAL  29  -7.202  25.481 -14.365
  219    HA   VAL  29           HA       VAL  29  -4.386  25.558 -13.412
  220    HB   VAL  29           HB       VAL  29  -5.359  26.468 -16.134
  221   1HG1  VAL  29          1HG1      VAL  29  -2.991  26.118 -16.724
  222   2HG1  VAL  29          2HG1      VAL  29  -3.123  27.252 -15.369
  223   3HG1  VAL  29          3HG1      VAL  29  -2.640  25.571 -15.076
  224   1HG2  VAL  29          1HG2      VAL  29  -4.375  23.710 -15.347
  225   2HG2  VAL  29          2HG2      VAL  29  -5.984  24.102 -15.978
  226   3HG2  VAL  29          3HG2      VAL  29  -4.584  24.305 -17.023
  227    H    VAL  30           H        VAL  30  -3.809  27.302 -12.384
  228    HA   VAL  30           HA       VAL  30  -5.307  29.858 -12.761
  229    HB   VAL  30           HB       VAL  30  -4.394  30.545 -10.547
  230   1HG1  VAL  30          1HG1      VAL  30  -6.261  28.169 -10.650
  231   2HG1  VAL  30          2HG1      VAL  30  -6.046  29.202  -9.223
  232   3HG1  VAL  30          3HG1      VAL  30  -6.687  29.883 -10.729
  233   1HG2  VAL  30          1HG2      VAL  30  -3.684  27.602 -10.204
  234   2HG2  VAL  30          2HG2      VAL  30  -2.541  28.956 -10.297
  235   3HG2  VAL  30          3HG2      VAL  30  -3.666  28.840  -8.936
  236    H    MET  31           H        MET  31  -4.177  31.742 -12.959
  237    HA   MET  31           HA       MET  31  -1.285  31.848 -12.960
  238   1HB   MET  31          1HB       MET  31  -0.941  32.380 -15.301
  239   2HB   MET  31          2HB       MET  31  -1.748  30.826 -15.197
  240   1HG   MET  31          1HG       MET  31  -3.929  32.277 -15.384
  241   2HG   MET  31          2HG       MET  31  -2.848  33.451 -16.131
  242   1HE   MET  31          1HE       MET  31  -4.812  30.186 -16.206
  243   2HE   MET  31          2HE       MET  31  -4.221  29.305 -17.628
  244   3HE   MET  31          3HE       MET  31  -3.192  29.457 -16.196
  245    H    GLU  32           H        GLU  32  -0.560  34.083 -13.564
  246    HA   GLU  32           HA       GLU  32  -2.642  36.145 -13.299
  247   1HB   GLU  32          1HB       GLU  32  -1.816  35.129 -11.023
  248   2HB   GLU  32          2HB       GLU  32  -0.380  36.129 -11.302
  249   1HG   GLU  32          1HG       GLU  32  -1.798  38.130 -11.398
  250   2HG   GLU  32          2HG       GLU  32  -3.237  37.137 -11.188
  251    H    VAL  33           H        VAL  33  -2.003  38.177 -14.028
  252    HA   VAL  33           HA       VAL  33   0.832  38.507 -14.932
  253    HB   VAL  33           HB       VAL  33   0.027  39.549 -17.006
  254   1HG1  VAL  33          1HG1      VAL  33  -0.959  36.692 -16.784
  255   2HG1  VAL  33          2HG1      VAL  33  -0.243  37.525 -18.188
  256   3HG1  VAL  33          3HG1      VAL  33   0.754  37.144 -16.803
  257   1HG2  VAL  33          1HG2      VAL  33  -2.695  38.400 -16.271
  258   2HG2  VAL  33          2HG2      VAL  33  -2.284  40.131 -16.307
  259   3HG2  VAL  33          3HG2      VAL  33  -2.257  39.173 -17.794
  260    H    ALA  34           H        ALA  34   1.554  40.523 -15.440
  261    HA   ALA  34           HA       ALA  34   0.171  42.853 -14.201
  262   1HB   ALA  34          1HB       ALA  34   3.139  42.187 -14.310
  263   2HB   ALA  34          2HB       ALA  34   2.481  43.763 -13.821
  264   3HB   ALA  34          3HB       ALA  34   2.124  42.305 -12.868
  265    H    PHE  35           H        PHE  35   0.049  44.678 -15.504
  266    HA   PHE  35           HA       PHE  35   0.654  44.213 -18.389
  267   1HB   PHE  35          1HB       PHE  35  -1.563  43.399 -17.886
  268   2HB   PHE  35          2HB       PHE  35  -1.963  44.898 -17.041
  269    HD1  PHE  35           HD1      PHE  35  -0.702  43.790 -20.434
  270    HD2  PHE  35           HD2      PHE  35  -3.188  46.505 -18.190
  271    HE1  PHE  35           HE1      PHE  35  -1.426  44.864 -22.524
  272    HE2  PHE  35           HE2      PHE  35  -3.841  47.617 -20.297
  273    HZ   PHE  35           HZ       PHE  35  -2.940  46.855 -22.456
  274    H    SER  36           H        SER  36   1.783  45.766 -19.165
  275    HA   SER  36           HA       SER  36   2.166  48.271 -17.870
  276   1HB   SER  36          1HB       SER  36   3.215  47.780 -20.638
  277   2HB   SER  36          2HB       SER  36   3.985  48.529 -19.239
  278    HG   SER  36           HG       SER  36   3.572  45.751 -19.754
  279    H    GLY  37           H        GLY  37  -0.382  47.596 -19.909
  280   1HA   GLY  37          1HA       GLY  37  -0.333  50.188 -21.384
  281   2HA   GLY  37          2HA       GLY  37  -1.337  48.793 -21.748
  282    H    THR  38           H        THR  38  -3.345  49.648 -21.692
  283    HA   THR  38           HA       THR  38  -4.440  51.713 -20.201
  284    HB   THR  38           HB       THR  38  -6.642  50.394 -20.761
  285    HG1  THR  38           HG1      THR  38  -5.984  48.395 -21.155
  286   1HG2  THR  38          1HG2      THR  38  -4.748  51.198 -23.001
  287   2HG2  THR  38          2HG2      THR  38  -6.509  50.996 -23.119
  288   3HG2  THR  38          3HG2      THR  38  -5.840  52.284 -22.102
  289    H    LYS  39           H        LYS  39  -6.116  51.757 -18.650
  290    HA   LYS  39           HA       LYS  39  -6.586  49.437 -16.917
  291   1HB   LYS  39          1HB       LYS  39  -6.010  52.206 -15.778
  292   2HB   LYS  39          2HB       LYS  39  -6.420  50.760 -14.866
  293   1HG   LYS  39          1HG       LYS  39  -3.859  51.118 -16.491
  294   2HG   LYS  39          2HG       LYS  39  -4.004  51.456 -14.776
  295   1HD   LYS  39          1HD       LYS  39  -4.352  49.205 -14.187
  296   2HD   LYS  39          2HD       LYS  39  -4.702  48.695 -15.835
  297   1HE   LYS  39          HE2       LYS  39  -1.978  49.736 -14.927
  298   2HE   LYS  39          HE3       LYS  39  -2.445  48.030 -14.957
  299   1HZ   LYS  39          HZ1       LYS  39  -2.034  49.805 -17.288
  300   2HZ   LYS  39          HZ2       LYS  39  -1.463  48.281 -17.001
  301   3HZ   LYS  39          HZ3       LYS  39  -3.061  48.581 -17.407
  302    HA   PRO  40           HA       PRO  40  -8.345  48.402 -16.300
  303   1HB   PRO  40          1HB       PRO  40 -10.761  47.437 -16.858
  304   2HB   PRO  40          2HB       PRO  40 -10.559  48.562 -15.486
  305   1HG   PRO  40          1HG       PRO  40 -11.497  49.222 -18.308
  306   2HG   PRO  40          2HG       PRO  40 -12.282  49.667 -16.759
  307   1HD   PRO  40          1HD       PRO  40 -10.550  51.331 -18.112
  308   2HD   PRO  40          2HD       PRO  40 -10.691  51.342 -16.332
  309    H    CYS  41           H        CYS  41  -8.585  46.299 -17.631
  310    HA   CYS  41           HA       CYS  41  -9.769  46.482 -20.227
  311   1HB   CYS  41          1HB       CYS  41  -7.879  45.773 -21.625
  312   2HB   CYS  41          2HB       CYS  41  -7.632  47.353 -20.929
  313    H    ARG  42           H        ARG  42  -9.812  44.442 -21.360
  314    HA   ARG  42           HA       ARG  42 -10.164  42.033 -19.679
  315   1HB   ARG  42          1HB       ARG  42 -11.864  42.911 -21.301
  316   2HB   ARG  42          2HB       ARG  42 -10.712  42.642 -22.614
  317   1HG   ARG  42          1HG       ARG  42 -10.721  40.141 -21.892
  318   2HG   ARG  42          2HG       ARG  42 -12.111  40.570 -20.888
  319   1HD   ARG  42          1HD       ARG  42 -11.820  40.610 -23.900
  320   2HD   ARG  42          2HD       ARG  42 -13.021  39.760 -22.950
  321    HE   ARG  42           HE       ARG  42 -12.940  42.698 -23.530
  322   1HH1  ARG  42          1HH1      ARG  42 -14.901  40.042 -22.159
  323   2HH1  ARG  42          2HH1      ARG  42 -16.303  41.139 -22.155
  324   1HH2  ARG  42          1HH2      ARG  42 -14.658  43.946 -23.031
  325   2HH2  ARG  42          2HH2      ARG  42 -16.191  43.142 -22.637
  326    H    ILE  43           H        ILE  43  -8.788  40.388 -19.663
  327    HA   ILE  43           HA       ILE  43  -6.206  40.686 -20.969
  328    HB   ILE  43           HB       ILE  43  -7.215  38.459 -19.172
  329   1HG1  ILE  43          2HG1      ILE  43  -5.696  41.038 -18.557
  330   2HG1  ILE  43          3HG1      ILE  43  -7.332  40.637 -18.044
  331   1HG2  ILE  43          1HG2      ILE  43  -5.202  37.920 -20.596
  332   2HG2  ILE  43          2HG2      ILE  43  -4.363  39.285 -19.851
  333   3HG2  ILE  43          3HG2      ILE  43  -4.868  37.897 -18.869
  334   1HD1  ILE  43          1HD1      ILE  43  -4.769  39.404 -17.042
  335   2HD1  ILE  43          2HD1      ILE  43  -5.975  40.353 -16.160
  336   3HD1  ILE  43          3HD1      ILE  43  -6.364  38.713 -16.702
  337    HA   PRO  44           HA       PRO  44  -7.803  38.298 -24.495
  338   1HB   PRO  44          1HB       PRO  44  -5.732  38.614 -26.241
  339   2HB   PRO  44          2HB       PRO  44  -6.852  39.941 -25.810
  340   1HG   PRO  44          1HG       PRO  44  -4.128  39.375 -24.597
  341   2HG   PRO  44          2HG       PRO  44  -4.739  40.921 -25.251
  342   1HD   PRO  44          1HD       PRO  44  -4.821  40.324 -22.605
  343   2HD   PRO  44          2HD       PRO  44  -6.147  41.232 -23.405
  344    H    VAL  45           H        VAL  45  -7.776  36.455 -23.170
  345    HA   VAL  45           HA       VAL  45  -5.362  34.745 -23.129
  346    HB   VAL  45           HB       VAL  45  -7.610  35.412 -21.322
  347   1HG1  VAL  45          1HG1      VAL  45  -7.495  33.388 -19.964
  348   2HG1  VAL  45          2HG1      VAL  45  -8.246  33.078 -21.532
  349   3HG1  VAL  45          3HG1      VAL  45  -6.562  32.572 -21.238
  350   1HG2  VAL  45          1HG2      VAL  45  -5.024  35.875 -21.278
  351   2HG2  VAL  45          2HG2      VAL  45  -5.911  35.549 -19.802
  352   3HG2  VAL  45          3HG2      VAL  45  -4.929  34.261 -20.563
  353    H    ARG  46           H        ARG  46  -5.270  32.678 -23.544
  354    HA   ARG  46           HA       ARG  46  -7.459  30.997 -24.395
  355   1HB   ARG  46          1HB       ARG  46  -6.544  30.525 -26.679
  356   2HB   ARG  46          2HB       ARG  46  -7.178  32.166 -26.520
  357   1HG   ARG  46          1HG       ARG  46  -4.813  32.946 -26.094
  358   2HG   ARG  46          2HG       ARG  46  -4.259  31.303 -26.483
  359   1HD   ARG  46          1HD       ARG  46  -4.785  31.553 -28.757
  360   2HD   ARG  46          2HD       ARG  46  -5.880  32.921 -28.453
  361    HE   ARG  46           HE       ARG  46  -3.745  34.093 -27.574
  362   1HH1  ARG  46          1HH1      ARG  46  -3.582  32.047 -30.449
  363   2HH1  ARG  46          2HH1      ARG  46  -2.190  32.944 -31.022
  364   1HH2  ARG  46          1HH2      ARG  46  -1.998  35.079 -28.311
  365   2HH2  ARG  46          2HH2      ARG  46  -1.316  34.737 -29.841
  366    H    ALA  47           H        ALA  47  -6.690  28.809 -24.732
  367    HA   ALA  47           HA       ALA  47  -3.820  28.256 -24.083
  368   1HB   ALA  47          1HB       ALA  47  -5.137  27.767 -22.040
  369   2HB   ALA  47          2HB       ALA  47  -6.221  26.723 -22.996
  370   3HB   ALA  47          3HB       ALA  47  -4.519  26.283 -22.814
  371    H    VAL  48           H        VAL  48  -2.927  27.236 -25.794
  372    HA   VAL  48           HA       VAL  48  -4.846  25.918 -27.661
  373    HB   VAL  48           HB       VAL  48  -3.563  26.597 -29.499
  374   1HG1  VAL  48          1HG1      VAL  48  -5.272  28.138 -28.654
  375   2HG1  VAL  48          2HG1      VAL  48  -4.081  28.935 -27.601
  376   3HG1  VAL  48          3HG1      VAL  48  -3.925  29.046 -29.353
  377   1HG2  VAL  48          1HG2      VAL  48  -1.665  27.997 -27.580
  378   2HG2  VAL  48          2HG2      VAL  48  -1.266  26.621 -28.633
  379   3HG2  VAL  48          3HG2      VAL  48  -1.682  28.185 -29.344
  380    H    ALA  49           H        ALA  49  -4.797  23.873 -27.846
  381    HA   ALA  49           HA       ALA  49  -3.011  22.216 -26.424
  382   1HB   ALA  49          1HB       ALA  49  -5.304  21.579 -27.025
  383   2HB   ALA  49          2HB       ALA  49  -4.852  21.519 -28.749
  384   3HB   ALA  49          3HB       ALA  49  -4.141  20.370 -27.593
  385    H    HIS  50           H        HIS  50  -1.321  20.898 -26.973
  386    HA   HIS  50           HA       HIS  50   0.631  21.821 -28.661
  387   1HB   HIS  50          1HB       HIS  50   0.833  20.243 -26.754
  388   2HB   HIS  50          2HB       HIS  50   0.294  18.928 -27.798
  389    HD1  HIS  50           HD1      HIS  50   3.338  20.421 -26.527
  390    HD2  HIS  50           HD2      HIS  50   2.060  18.791 -30.213
  391    HE1  HIS  50           HE1      HIS  50   5.453  19.884 -27.894
  392    H    GLY  51           H        GLY  51   0.358  22.223 -30.747
  393   1HA   GLY  51          1HA       GLY  51   0.949  21.219 -32.928
  394   2HA   GLY  51          2HA       GLY  51  -0.245  19.964 -32.630
  395    H    ALA  52           H        ALA  52  -1.953  22.501 -31.506
  396    HA   ALA  52           HA       ALA  52  -2.855  23.444 -34.207
  397   1HB   ALA  52          1HB       ALA  52  -5.163  23.034 -33.551
  398   2HB   ALA  52          2HB       ALA  52  -4.214  21.537 -33.569
  399   3HB   ALA  52          3HB       ALA  52  -4.620  22.311 -32.017
  400    HA   PRO  53           HA       PRO  53  -2.085  26.855 -31.185
  401   1HB   PRO  53          1HB       PRO  53  -0.982  28.707 -32.878
  402   2HB   PRO  53          2HB       PRO  53  -0.073  27.327 -32.188
  403   1HG   PRO  53          1HG       PRO  53  -1.426  27.488 -34.902
  404   2HG   PRO  53          2HG       PRO  53   0.254  26.978 -34.536
  405   1HD   PRO  53          1HD       PRO  53  -1.734  25.171 -34.875
  406   2HD   PRO  53          2HD       PRO  53  -0.481  24.915 -33.621
  407    H    ASP  54           H        ASP  54  -3.974  26.792 -34.096
  408    HA   ASP  54           HA       ASP  54  -5.465  29.196 -33.805
  409   1HB   ASP  54          1HB       ASP  54  -6.335  26.577 -35.083
  410   2HB   ASP  54          2HB       ASP  54  -6.797  28.215 -35.549
  411    H    VAL  55           H        VAL  55  -5.652  26.175 -32.028
  412    HA   VAL  55           HA       VAL  55  -8.573  26.526 -31.527
  413    HB   VAL  55           HB       VAL  55  -6.898  24.022 -31.151
  414   1HG1  VAL  55          1HG1      VAL  55  -9.129  22.927 -31.005
  415   2HG1  VAL  55          2HG1      VAL  55  -8.923  24.102 -29.704
  416   3HG1  VAL  55          3HG1      VAL  55  -9.920  24.515 -31.112
  417   1HG2  VAL  55          1HG2      VAL  55  -8.822  24.808 -33.388
  418   2HG2  VAL  55          2HG2      VAL  55  -7.067  24.585 -33.548
  419   3HG2  VAL  55          3HG2      VAL  55  -8.094  23.200 -33.161
  420    H    ASP  56           H        ASP  56  -8.703  27.928 -29.880
  421    HA   ASP  56           HA       ASP  56  -7.356  27.609 -27.348
  422   1HB   ASP  56          1HB       ASP  56  -8.427  29.723 -28.090
  423   2HB   ASP  56          2HB       ASP  56 -10.012  28.955 -27.954
  424    H    VAL  57           H        VAL  57  -7.712  26.190 -25.832
  425    HA   VAL  57           HA       VAL  57 -10.272  24.649 -25.655
  426    HB   VAL  57           HB       VAL  57  -9.036  22.784 -24.711
  427   1HG1  VAL  57          1HG1      VAL  57  -9.450  22.852 -27.148
  428   2HG1  VAL  57          2HG1      VAL  57  -7.864  23.613 -27.392
  429   3HG1  VAL  57          3HG1      VAL  57  -7.967  21.969 -26.737
  430   1HG2  VAL  57          1HG2      VAL  57  -6.643  22.594 -24.725
  431   2HG2  VAL  57          2HG2      VAL  57  -6.438  24.154 -25.484
  432   3HG2  VAL  57          3HG2      VAL  57  -7.034  24.061 -23.808
  433    H    ALA  58           H        ALA  58  -8.888  27.230 -24.205
  434    HA   ALA  58           HA       ALA  58  -8.953  26.511 -21.407
  435   1HB   ALA  58          1HB       ALA  58  -9.052  29.210 -22.820
  436   2HB   ALA  58          2HB       ALA  58  -8.797  28.962 -21.085
  437   3HB   ALA  58          3HB       ALA  58  -7.598  28.372 -22.246
  438    H    MET  59           H        MET  59 -10.948  25.571 -20.815
  439    HA   MET  59           HA       MET  59 -13.421  27.213 -21.035
  440   1HB   MET  59          1HB       MET  59 -12.841  24.555 -19.684
  441   2HB   MET  59          2HB       MET  59 -14.409  25.372 -19.668
  442   1HG   MET  59          1HG       MET  59 -12.938  24.476 -22.186
  443   2HG   MET  59          2HG       MET  59 -14.232  23.598 -21.384
  444   1HE   MET  59          1HE       MET  59 -14.702  26.924 -24.451
  445   2HE   MET  59          2HE       MET  59 -13.427  27.098 -23.232
  446   3HE   MET  59          3HE       MET  59 -13.437  25.683 -24.309
  447    H    LEU  60           H        LEU  60 -13.176  29.069 -19.892
  448    HA   LEU  60           HA       LEU  60 -11.628  29.348 -17.534
  449   1HB   LEU  60          1HB       LEU  60 -13.872  31.135 -18.498
  450   2HB   LEU  60          2HB       LEU  60 -12.631  31.546 -17.329
  451    HG   LEU  60           HG       LEU  60 -11.317  30.584 -19.751
  452   1HD1  LEU  60          1HD1      LEU  60 -12.018  32.325 -21.312
  453   2HD1  LEU  60          2HD1      LEU  60 -13.392  31.296 -20.888
  454   3HD1  LEU  60          3HD1      LEU  60 -13.241  32.910 -20.156
  455   1HD2  LEU  60          1HD2      LEU  60 -10.249  31.995 -18.070
  456   2HD2  LEU  60          2HD2      LEU  60 -10.242  32.796 -19.656
  457   3HD2  LEU  60          3HD2      LEU  60 -11.409  33.296 -18.408
  458    H    ILE  61           H        ILE  61 -12.004  29.140 -15.437
  459    HA   ILE  61           HA       ILE  61 -14.631  28.065 -14.485
  460    HB   ILE  61           HB       ILE  61 -11.859  27.983 -13.253
  461   1HG1  ILE  61          2HG1      ILE  61 -11.850  26.560 -15.189
  462   2HG1  ILE  61          3HG1      ILE  61 -11.847  25.578 -13.750
  463   1HG2  ILE  61          1HG2      ILE  61 -12.774  26.328 -11.661
  464   2HG2  ILE  61          2HG2      ILE  61 -13.515  27.913 -11.478
  465   3HG2  ILE  61          3HG2      ILE  61 -14.408  26.623 -12.303
  466   1HD1  ILE  61          1HD1      ILE  61 -14.310  25.135 -14.095
  467   2HD1  ILE  61          2HD1      ILE  61 -14.213  26.074 -15.607
  468   3HD1  ILE  61          3HD1      ILE  61 -13.287  24.581 -15.426
  469    H    THR  62           H        THR  62 -12.289  30.648 -14.052
  470    HA   THR  62           HA       THR  62 -14.183  32.067 -12.227
  471    HB   THR  62           HB       THR  62 -11.586  31.923 -11.849
  472    HG1  THR  62           HG1      THR  62 -11.789  33.681 -10.655
  473   1HG2  THR  62          1HG2      THR  62 -11.684  34.455 -13.529
  474   2HG2  THR  62          2HG2      THR  62 -10.300  33.764 -12.670
  475   3HG2  THR  62          3HG2      THR  62 -10.976  32.931 -14.096
  476    HA   PRO  63           HA       PRO  63 -15.870  34.367 -15.595
  477   1HB   PRO  63          1HB       PRO  63 -15.028  36.952 -14.282
  478   2HB   PRO  63          2HB       PRO  63 -16.630  36.509 -14.948
  479   1HG   PRO  63          1HG       PRO  63 -16.215  36.456 -12.280
  480   2HG   PRO  63          2HG       PRO  63 -17.086  35.092 -13.061
  481   1HD   PRO  63          1HD       PRO  63 -14.169  35.253 -12.269
  482   2HD   PRO  63          2HD       PRO  63 -15.338  33.928 -11.976
  483    H    ASN  64           H        ASN  64 -15.483  35.802 -17.371
  484    HA   ASN  64           HA       ASN  64 -13.197  35.976 -18.840
  485   1HB   ASN  64          1HB       ASN  64 -15.166  36.672 -19.833
  486   2HB   ASN  64          2HB       ASN  64 -15.606  37.685 -18.474
  487   1HD2  ASN  64          2HD2      ASN  64 -14.070  39.630 -18.127
  488   2HD2  ASN  64          1HD2      ASN  64 -13.833  40.573 -19.609
  489    HA   PRO  65           HA       PRO  65 -10.811  38.088 -15.740
  490   1HB   PRO  65          1HB       PRO  65  -8.286  37.674 -16.661
  491   2HB   PRO  65          2HB       PRO  65  -9.328  36.383 -15.995
  492   1HG   PRO  65          1HG       PRO  65  -8.930  37.092 -18.931
  493   2HG   PRO  65          2HG       PRO  65  -8.776  35.480 -18.157
  494   1HD   PRO  65          1HD       PRO  65 -11.069  36.262 -19.368
  495   2HD   PRO  65          2HD       PRO  65 -11.109  35.328 -17.836
  496    H    THR  66           H        THR  66  -9.816  39.976 -15.322
  497    HA   THR  66           HA       THR  66  -9.211  41.862 -17.518
  498    HB   THR  66           HB       THR  66 -10.373  43.695 -16.345
  499    HG1  THR  66           HG1      THR  66 -11.790  43.186 -14.632
  500   1HG2  THR  66          1HG2      THR  66 -12.717  43.036 -16.814
  501   2HG2  THR  66          2HG2      THR  66 -11.634  42.580 -18.125
  502   3HG2  THR  66          3HG2      THR  66 -12.221  41.347 -16.987
  503    H    MET  67           H        MET  67  -7.829  43.481 -17.040
  504    HA   MET  67           HA       MET  67  -6.273  43.327 -14.510
  505   1HB   MET  67          1HB       MET  67  -5.223  43.037 -17.058
  506   2HB   MET  67          2HB       MET  67  -5.020  44.771 -16.786
  507   1HG   MET  67          1HG       MET  67  -4.162  42.560 -14.874
  508   2HG   MET  67          2HG       MET  67  -3.085  43.327 -16.017
  509   1HE   MET  67          1HE       MET  67  -1.393  44.080 -13.484
  510   2HE   MET  67          2HE       MET  67  -2.473  44.294 -12.095
  511   3HE   MET  67          3HE       MET  67  -2.609  42.834 -13.099
  512    H    GLU  68           H        GLU  68  -5.855  45.342 -13.459
  513    HA   GLU  68           HA       GLU  68  -7.815  47.474 -14.070
  514   1HB   GLU  68          1HB       GLU  68  -7.822  45.881 -11.478
  515   2HB   GLU  68          2HB       GLU  68  -8.924  47.160 -11.945
  516   1HG   GLU  68          1HG       GLU  68  -9.921  45.696 -13.666
  517   2HG   GLU  68          2HG       GLU  68  -8.779  44.402 -13.262
  518    H    ASN  69           H        ASN  69  -7.728  49.147 -12.253
  519    HA   ASN  69           HA       ASN  69  -4.984  49.555 -11.166
  520   1HB   ASN  69          1HB       ASN  69  -5.948  51.841 -10.627
  521   2HB   ASN  69          2HB       ASN  69  -5.765  51.457 -12.339
  522   1HD2  ASN  69          2HD2      ASN  69  -7.346  53.264 -12.685
  523   2HD2  ASN  69          1HD2      ASN  69  -9.044  52.819 -12.516
  524    H    ASN  70           H        ASN  70  -8.124  48.510 -10.251
  525    HA   ASN  70           HA       ASN  70  -7.567  48.838  -7.345
  526   1HB   ASN  70          1HB       ASN  70  -9.967  48.968  -7.041
  527   2HB   ASN  70          2HB       ASN  70  -9.430  50.183  -8.189
  528   1HD2  ASN  70          1HD2      ASN  70  -9.913  49.776 -10.595
  529   2HD2  ASN  70          2HD2      ASN  70 -11.275  48.671 -10.882
  530    H    GLY  71           H        GLY  71  -6.562  46.659  -9.021
  531   1HA   GLY  71          1HA       GLY  71  -6.468  44.409  -7.618
  532   2HA   GLY  71          2HA       GLY  71  -8.091  44.247  -8.319
  533    H    GLY  72           H        GLY  72  -7.443  42.463  -9.598
  534   1HA   GLY  72          1HA       GLY  72  -7.607  42.090 -11.895
  535   2HA   GLY  72          2HA       GLY  72  -6.578  43.472 -12.218
  536    H    GLY  73           H        GLY  73  -6.405  41.182 -13.614
  537   1HA   GLY  73          1HA       GLY  73  -4.410  40.369 -14.643
  538   2HA   GLY  73          2HA       GLY  73  -3.571  40.444 -13.115
  539    H    PHE  74           H        PHE  74  -6.361  38.874 -12.264
  540    HA   PHE  74           HA       PHE  74  -4.906  36.292 -12.375
  541   1HB   PHE  74          1HB       PHE  74  -5.411  37.318 -10.180
  542   2HB   PHE  74          2HB       PHE  74  -7.131  37.250 -10.543
  543    HD1  PHE  74           HD1      PHE  74  -4.072  35.098 -10.130
  544    HD2  PHE  74           HD2      PHE  74  -8.386  35.250 -10.108
  545    HE1  PHE  74           HE1      PHE  74  -4.152  32.756  -9.341
  546    HE2  PHE  74           HE2      PHE  74  -8.453  32.896  -9.314
  547    HZ   PHE  74           HZ       PHE  74  -6.348  31.656  -8.922
  548    H    ILE  75           H        ILE  75  -5.892  34.302 -12.608
  549    HA   ILE  75           HA       ILE  75  -8.412  34.067 -14.172
  550    HB   ILE  75           HB       ILE  75  -5.633  33.181 -14.979
  551   1HG1  ILE  75          2HG1      ILE  75  -7.347  35.347 -16.182
  552   2HG1  ILE  75          3HG1      ILE  75  -5.810  35.562 -15.344
  553   1HG2  ILE  75          1HG2      ILE  75  -7.267  31.516 -15.749
  554   2HG2  ILE  75          2HG2      ILE  75  -8.237  32.802 -16.514
  555   3HG2  ILE  75          3HG2      ILE  75  -6.617  32.375 -17.106
  556   1HD1  ILE  75          1HD1      ILE  75  -4.706  34.212 -17.162
  557   2HD1  ILE  75          2HD1      ILE  75  -6.237  34.353 -18.051
  558   3HD1  ILE  75          3HD1      ILE  75  -5.321  35.813 -17.603
  559    H    GLU  76           H        GLU  76  -9.328  32.019 -14.017
  560    HA   GLU  76           HA       GLU  76  -7.678  29.731 -13.315
  561   1HB   GLU  76          1HB       GLU  76  -8.942  30.294 -11.203
  562   2HB   GLU  76          2HB       GLU  76 -10.448  29.983 -12.083
  563   1HG   GLU  76          1HG       GLU  76  -9.732  27.678 -12.573
  564   2HG   GLU  76          2HG       GLU  76  -8.176  27.962 -11.834
  565    H    MET  77           H        MET  77  -7.985  28.178 -14.839
  566    HA   MET  77           HA       MET  77 -10.518  27.990 -16.386
  567   1HB   MET  77          1HB       MET  77  -9.213  27.853 -18.503
  568   2HB   MET  77          2HB       MET  77  -9.120  29.447 -17.751
  569   1HG   MET  77          1HG       MET  77  -6.887  29.072 -16.967
  570   2HG   MET  77          2HG       MET  77  -7.005  27.345 -17.260
  571   1HE   MET  77          1HE       MET  77  -7.650  30.581 -19.561
  572   2HE   MET  77          2HE       MET  77  -6.075  30.810 -18.754
  573   3HE   MET  77          3HE       MET  77  -6.141  30.507 -20.502
  574    H    GLN  78           H        GLN  78 -10.659  25.924 -17.679
  575    HA   GLN  78           HA       GLN  78  -8.775  23.826 -16.726
  576   1HB   GLN  78          1HB       GLN  78 -10.950  23.790 -15.486
  577   2HB   GLN  78          2HB       GLN  78 -11.766  23.379 -16.999
  578   1HG   GLN  78          1HG       GLN  78 -10.549  21.279 -17.148
  579   2HG   GLN  78          2HG       GLN  78  -9.425  21.774 -15.873
  580   1HE2  GLN  78          2HE2      GLN  78  -9.771  20.561 -14.016
  581   2HE2  GLN  78          1HE2      GLN  78 -11.410  20.174 -13.467
  582    H    LEU  79           H        LEU  79  -8.443  22.088 -18.061
  583    HA   LEU  79           HA       LEU  79  -8.681  22.622 -20.974
  584   1HB   LEU  79          1HB       LEU  79  -6.191  22.435 -19.197
  585   2HB   LEU  79          2HB       LEU  79  -6.138  22.279 -20.930
  586    HG   LEU  79           HG       LEU  79  -7.163  24.649 -21.054
  587   1HD1  LEU  79          1HD1      LEU  79  -6.005  25.777 -18.765
  588   2HD1  LEU  79          2HD1      LEU  79  -7.732  25.592 -19.069
  589   3HD1  LEU  79          3HD1      LEU  79  -6.844  24.380 -18.114
  590   1HD2  LEU  79          1HD2      LEU  79  -4.904  24.134 -21.661
  591   2HD2  LEU  79          2HD2      LEU  79  -4.868  25.602 -20.672
  592   3HD2  LEU  79          3HD2      LEU  79  -4.393  24.052 -19.957
  593    HA   PRO  80           HA       PRO  80  -8.401  18.128 -21.265
  594   1HB   PRO  80          1HB       PRO  80  -6.962  17.733 -23.566
  595   2HB   PRO  80          2HB       PRO  80  -8.661  18.296 -23.529
  596   1HG   PRO  80          1HG       PRO  80  -6.150  19.979 -23.770
  597   2HG   PRO  80          2HG       PRO  80  -7.634  20.060 -24.770
  598   1HD   PRO  80          1HD       PRO  80  -7.242  21.752 -22.697
  599   2HD   PRO  80          2HD       PRO  80  -8.864  21.086 -23.027
  600    HA   PRO  81           HA       PRO  81  -4.423  17.185 -19.166
  601   1HB   PRO  81          1HB       PRO  81  -5.502  14.438 -19.805
  602   2HB   PRO  81          2HB       PRO  81  -4.702  15.019 -18.307
  603   1HG   PRO  81          1HG       PRO  81  -7.390  14.794 -18.386
  604   2HG   PRO  81          2HG       PRO  81  -6.646  16.266 -17.673
  605   1HD   PRO  81          1HD       PRO  81  -7.803  15.906 -20.445
  606   2HD   PRO  81          2HD       PRO  81  -8.041  17.248 -19.280
  607    H    GLY  82           H        GLY  82  -2.480  17.115 -20.093
  608   1HA   GLY  82          1HA       GLY  82  -1.198  15.985 -22.156
  609   2HA   GLY  82          2HA       GLY  82  -2.486  16.840 -23.028
  610    H    ASP  83           H        ASP  83  -0.723  18.093 -24.020
  611    HA   ASP  83           HA       ASP  83   0.435  20.178 -22.227
  612   1HB   ASP  83          1HB       ASP  83   2.122  18.768 -23.273
  613   2HB   ASP  83          2HB       ASP  83   1.456  19.105 -24.872
  614    H    ASN  84           H        ASN  84  -0.036  22.203 -22.517
  615    HA   ASN  84           HA       ASN  84  -1.576  23.135 -24.897
  616   1HB   ASN  84          1HB       ASN  84  -2.402  23.520 -21.983
  617   2HB   ASN  84          2HB       ASN  84  -3.231  24.147 -23.409
  618   1HD2  ASN  84          2HD2      ASN  84  -2.741  21.287 -21.394
  619   2HD2  ASN  84          1HD2      ASN  84  -4.051  20.373 -22.146
  620    H    ILE  85           H        ILE  85  -0.675  25.006 -25.633
  621    HA   ILE  85           HA       ILE  85   1.200  26.493 -23.874
  622    HB   ILE  85           HB       ILE  85   0.579  26.930 -26.820
  623   1HG1  ILE  85          2HG1      ILE  85   3.186  26.181 -26.739
  624   2HG1  ILE  85          3HG1      ILE  85   2.649  25.305 -25.318
  625   1HG2  ILE  85          1HG2      ILE  85   2.604  28.394 -26.694
  626   2HG2  ILE  85          2HG2      ILE  85   1.275  29.007 -25.711
  627   3HG2  ILE  85          3HG2      ILE  85   2.640  28.171 -24.932
  628   1HD1  ILE  85          1HD1      ILE  85   0.935  24.131 -26.765
  629   2HD1  ILE  85          2HD1      ILE  85   1.552  25.044 -28.158
  630   3HD1  ILE  85          3HD1      ILE  85   2.598  23.885 -27.314
  631    H    ILE  86           H        ILE  86   0.361  27.866 -22.511
  632    HA   ILE  86           HA       ILE  86  -2.315  29.038 -23.016
  633    HB   ILE  86           HB       ILE  86  -0.695  29.016 -20.453
  634   1HG1  ILE  86          2HG1      ILE  86  -2.872  27.170 -21.518
  635   2HG1  ILE  86          3HG1      ILE  86  -1.238  26.734 -21.057
  636   1HG2  ILE  86          1HG2      ILE  86  -2.353  30.874 -20.641
  637   2HG2  ILE  86          2HG2      ILE  86  -3.620  29.698 -21.062
  638   3HG2  ILE  86          3HG2      ILE  86  -2.859  29.681 -19.463
  639   1HD1  ILE  86          1HD1      ILE  86  -1.784  27.267 -18.687
  640   2HD1  ILE  86          2HD1      ILE  86  -3.481  27.537 -19.171
  641   3HD1  ILE  86          3HD1      ILE  86  -2.746  25.949 -19.374
  642    H    TYR  87           H        TYR  87  -2.625  31.059 -23.522
  643    HA   TYR  87           HA       TYR  87  -0.259  32.872 -23.758
  644   1HB   TYR  87          1HB       TYR  87  -2.730  32.405 -25.395
  645   2HB   TYR  87          2HB       TYR  87  -1.933  33.951 -25.469
  646    HD1  TYR  87           HD1      TYR  87   0.183  34.282 -26.477
  647    HD2  TYR  87           HD2      TYR  87  -1.611  30.372 -26.383
  648    HE1  TYR  87           HE1      TYR  87   1.623  33.595 -28.379
  649    HE2  TYR  87           HE2      TYR  87  -0.098  29.635 -28.218
  650    HH   TYR  87           HH       TYR  87   1.353  30.373 -29.851
  651    H    VAL  88           H        VAL  88  -0.426  34.942 -23.323
  652    HA   VAL  88           HA       VAL  88  -2.974  36.210 -22.507
  653    HB   VAL  88           HB       VAL  88  -0.330  36.428 -21.007
  654   1HG1  VAL  88          1HG1      VAL  88  -1.629  38.247 -19.718
  655   2HG1  VAL  88          2HG1      VAL  88  -0.998  38.666 -21.305
  656   3HG1  VAL  88          3HG1      VAL  88  -2.720  38.300 -21.113
  657   1HG2  VAL  88          1HG2      VAL  88  -3.143  36.002 -19.921
  658   2HG2  VAL  88          2HG2      VAL  88  -2.024  34.666 -20.262
  659   3HG2  VAL  88          3HG2      VAL  88  -1.615  35.875 -19.050
  660    H    GLY  89           H        GLY  89  -3.223  37.081 -24.512
  661   1HA   GLY  89          1HA       GLY  89  -2.832  38.452 -26.343
  662   2HA   GLY  89          2HA       GLY  89  -1.368  39.075 -25.555
  663    H    GLU  90           H        GLU  90   0.432  38.601 -26.670
  664    HA   GLU  90           HA       GLU  90   0.678  35.901 -27.973
  665   1HB   GLU  90          1HB       GLU  90   2.312  38.370 -28.573
  666   2HB   GLU  90          2HB       GLU  90   2.412  36.803 -29.373
  667   1HG   GLU  90          1HG       GLU  90   0.151  38.818 -29.511
  668   2HG   GLU  90          2HG       GLU  90   1.216  38.306 -30.807
  669    H    LEU  91           H        LEU  91   1.628  37.576 -25.190
  670    HA   LEU  91           HA       LEU  91   4.117  36.128 -24.681
  671   1HB   LEU  91          1HB       LEU  91   3.584  38.213 -23.463
  672   2HB   LEU  91          2HB       LEU  91   2.091  37.500 -22.863
  673    HG   LEU  91           HG       LEU  91   3.417  35.804 -21.589
  674   1HD1  LEU  91          1HD1      LEU  91   5.802  37.511 -22.432
  675   2HD1  LEU  91          2HD1      LEU  91   5.826  36.228 -21.205
  676   3HD1  LEU  91          3HD1      LEU  91   5.528  35.819 -22.895
  677   1HD2  LEU  91          1HD2      LEU  91   4.113  38.695 -20.974
  678   2HD2  LEU  91          2HD2      LEU  91   2.598  37.870 -20.532
  679   3HD2  LEU  91          3HD2      LEU  91   4.129  37.328 -19.832
  680    H    LYS  92           H        LYS  92   4.265  34.125 -23.572
  681    HA   LYS  92           HA       LYS  92   1.777  32.626 -23.070
  682   1HB   LYS  92          1HB       LYS  92   2.238  30.917 -24.667
  683   2HB   LYS  92          2HB       LYS  92   2.338  32.456 -25.497
  684   1HG   LYS  92          1HG       LYS  92   4.962  32.227 -24.961
  685   2HG   LYS  92          2HG       LYS  92   4.542  30.523 -24.760
  686   1HD   LYS  92          1HD       LYS  92   5.204  30.710 -27.021
  687   2HD   LYS  92          2HD       LYS  92   3.431  30.691 -27.091
  688   1HE   LYS  92          HE2       LYS  92   3.511  33.242 -27.085
  689   2HE   LYS  92          HE3       LYS  92   5.267  33.137 -27.216
  690   1HZ   LYS  92          HZ1       LYS  92   4.213  33.410 -29.369
  691   2HZ   LYS  92          HZ2       LYS  92   4.953  31.936 -29.312
  692   3HZ   LYS  92          HZ3       LYS  92   3.313  32.045 -29.163
  693    H    HIS  93           H        HIS  93   2.168  30.410 -22.333
  694    HA   HIS  93           HA       HIS  93   4.852  29.647 -21.417
  695   1HB   HIS  93          1HB       HIS  93   3.878  30.962 -19.525
  696   2HB   HIS  93          2HB       HIS  93   2.508  29.865 -19.492
  697    HD1  HIS  93           HD1      HIS  93   3.248  27.182 -18.712
  698    HD2  HIS  93           HD2      HIS  93   6.022  30.321 -18.195
  699    HE1  HIS  93           HE1      HIS  93   4.910  26.392 -17.002
  700    H    GLN  94           H        GLN  94   5.066  27.389 -21.385
  701    HA   GLN  94           HA       GLN  94   2.948  25.791 -22.644
  702   1HB   GLN  94          1HB       GLN  94   5.338  25.675 -23.307
  703   2HB   GLN  94          2HB       GLN  94   5.760  25.091 -21.690
  704   1HG   GLN  94          1HG       GLN  94   4.429  23.058 -22.047
  705   2HG   GLN  94          2HG       GLN  94   3.840  23.693 -23.596
  706   1HE2  GLN  94          2HE2      GLN  94   4.691  21.683 -24.626
  707   2HE2  GLN  94          1HE2      GLN  94   6.453  21.671 -24.922
  708    H    TRP  95           H        TRP  95   1.431  24.601 -21.480
  709    HA   TRP  95           HA       TRP  95   2.060  23.964 -18.630
  710   1HB   TRP  95          1HB       TRP  95   0.485  25.744 -18.651
  711   2HB   TRP  95          2HB       TRP  95  -0.499  24.933 -19.873
  712    HD1  TRP  95           HD1      TRP  95  -2.417  23.563 -19.059
  713    HE1  TRP  95           HE1      TRP  95  -3.194  22.468 -16.822
  714    HE3  TRP  95           HE3      TRP  95   1.677  24.592 -16.150
  715    HZ2  TRP  95           HZ2      TRP  95  -2.120  21.971 -14.259
  716    HZ3  TRP  95           HZ3      TRP  95   1.829  23.658 -13.865
  717    HH2  TRP  95           HH2      TRP  95  -0.051  22.349 -12.907
  718    H    PHE  96           H        PHE  96   2.310  21.969 -18.300
  719    HA   PHE  96           HA       PHE  96   1.046  19.811 -19.810
  720   1HB   PHE  96          1HB       PHE  96   2.796  19.670 -17.330
  721   2HB   PHE  96          2HB       PHE  96   2.468  18.386 -18.490
  722    HD1  PHE  96           HD1      PHE  96   4.913  20.661 -17.467
  723    HD2  PHE  96           HD2      PHE  96   3.047  19.231 -21.084
  724    HE1  PHE  96           HE1      PHE  96   6.852  21.461 -18.791
  725    HE2  PHE  96           HE2      PHE  96   4.986  20.037 -22.399
  726    HZ   PHE  96           HZ       PHE  96   6.889  21.160 -21.259
  727    H    GLN  97           H        GLN  97  -1.083  19.691 -19.428
  728    HA   GLN  97           HA       GLN  97  -2.318  20.441 -16.888
  729   1HB   GLN  97          1HB       GLN  97  -3.328  21.120 -19.006
  730   2HB   GLN  97          2HB       GLN  97  -3.329  19.463 -19.583
  731   1HG   GLN  97          1HG       GLN  97  -5.550  20.128 -19.081
  732   2HG   GLN  97          2HG       GLN  97  -5.091  18.854 -17.966
  733   1HE2  GLN  97          2HE2      GLN  97  -7.284  20.257 -17.405
  734   2HE2  GLN  97          1HE2      GLN  97  -6.888  21.028 -15.854
  735    H    LYS  98           H        LYS  98  -3.377  19.236 -15.461
  736    HA   LYS  98           HA       LYS  98  -3.531  16.289 -15.837
  737   1HB   LYS  98          1HB       LYS  98  -3.320  15.898 -13.504
  738   2HB   LYS  98          2HB       LYS  98  -1.905  16.782 -14.052
  739   1HG   LYS  98          1HG       LYS  98  -2.554  18.775 -12.913
  740   2HG   LYS  98          2HG       LYS  98  -4.228  18.224 -12.710
  741   1HD   LYS  98          1HD       LYS  98  -3.513  16.443 -11.179
  742   2HD   LYS  98          2HD       LYS  98  -1.818  16.879 -11.415
  743   1HE   LYS  98          HE2       LYS  98  -2.691  17.678  -9.260
  744   2HE   LYS  98          HE3       LYS  98  -2.154  19.017 -10.291
  745   1HZ   LYS  98          HZ1       LYS  98  -4.371  19.521 -10.833
  746   2HZ   LYS  98          HZ2       LYS  98  -5.009  18.180 -10.096
  747   3HZ   LYS  98          HZ3       LYS  98  -4.326  19.466  -9.242
  748    H    GLY  99           H        GLY  99  -5.380  15.251 -14.858
  749   1HA   GLY  99          1HA       GLY  99  -7.659  15.884 -13.715
  750   2HA   GLY  99          2HA       GLY  99  -7.854  16.752 -15.251
  Start of MODEL   10
    1   1H    ILE   1           H1       ILE   1 -11.919  45.939  -9.324
    2   2H    ILE   1           H2       ILE   1 -10.652  45.417  -8.442
    3   3H    ILE   1           H3       ILE   1 -10.882  44.848  -9.976
    4    HA   ILE   1           HA       ILE   1 -11.470  43.166  -8.408
    5    HB   ILE   1           HB       ILE   1 -13.714  44.970  -7.464
    6   1HG1  ILE   1          2HG1      ILE   1 -11.723  46.004  -6.590
    7   2HG1  ILE   1          3HG1      ILE   1 -12.580  45.175  -5.313
    8   1HG2  ILE   1          1HG2      ILE   1 -12.654  42.272  -6.501
    9   2HG2  ILE   1          2HG2      ILE   1 -13.920  43.222  -5.701
   10   3HG2  ILE   1          3HG2      ILE   1 -14.200  42.569  -7.317
   11   1HD1  ILE   1          1HD1      ILE   1 -10.144  44.873  -5.115
   12   2HD1  ILE   1          2HD1      ILE   1 -10.947  43.317  -5.358
   13   3HD1  ILE   1          3HD1      ILE   1 -10.082  44.093  -6.705
   14    H    SER   2           H        SER   2 -14.302  45.165  -9.498
   15    HA   SER   2           HA       SER   2 -15.822  43.159 -10.459
   16   1HB   SER   2          1HB       SER   2 -15.705  46.006 -11.507
   17   2HB   SER   2          2HB       SER   2 -17.072  44.872 -11.640
   18    HG   SER   2           HG       SER   2 -17.370  46.177  -9.824
   19    H    LYS   3           H        LYS   3 -15.213  41.631 -11.746
   20    HA   LYS   3           HA       LYS   3 -13.448  41.653 -13.942
   21   1HB   LYS   3          1HB       LYS   3 -15.799  39.807 -13.375
   22   2HB   LYS   3          2HB       LYS   3 -14.485  39.442 -14.478
   23   1HG   LYS   3          1HG       LYS   3 -13.974  39.949 -11.506
   24   2HG   LYS   3          2HG       LYS   3 -14.507  38.400 -12.110
   25   1HD   LYS   3          1HD       LYS   3 -12.121  38.348 -11.821
   26   2HD   LYS   3          2HD       LYS   3 -12.544  38.159 -13.518
   27   1HE   LYS   3          HE2       LYS   3 -10.580  39.557 -13.303
   28   2HE   LYS   3          HE3       LYS   3 -11.916  40.469 -13.988
   29   1HZ   LYS   3          HZ1       LYS   3 -12.252  41.388 -11.641
   30   2HZ   LYS   3          HZ2       LYS   3 -10.846  40.665 -11.231
   31   3HZ   LYS   3          HZ3       LYS   3 -10.871  41.843 -12.392
   32    H    GLY   4           H        GLY   4 -13.576  42.641 -15.769
   33   1HA   GLY   4          1HA       GLY   4 -16.024  44.042 -16.485
   34   2HA   GLY   4          2HA       GLY   4 -14.455  44.210 -17.238
   35    H    LEU   5           H        LEU   5 -17.390  42.317 -17.240
   36    HA   LEU   5           HA       LEU   5 -17.054  40.871 -19.667
   37   1HB   LEU   5          1HB       LEU   5 -19.533  42.115 -18.396
   38   2HB   LEU   5          2HB       LEU   5 -19.565  41.128 -19.846
   39    HG   LEU   5           HG       LEU   5 -18.483  39.243 -18.514
   40   1HD1  LEU   5          1HD1      LEU   5 -17.678  40.332 -16.516
   41   2HD1  LEU   5          2HD1      LEU   5 -19.274  41.057 -16.189
   42   3HD1  LEU   5          3HD1      LEU   5 -19.022  39.309 -16.035
   43   1HD2  LEU   5          1HD2      LEU   5 -20.661  38.569 -17.557
   44   2HD2  LEU   5          2HD2      LEU   5 -21.255  40.237 -17.721
   45   3HD2  LEU   5          3HD2      LEU   5 -20.855  39.278 -19.164
   46    H    THR   6           H        THR   6 -17.377  44.322 -19.222
   47    HA   THR   6           HA       THR   6 -18.030  44.836 -22.062
   48    HB   THR   6           HB       THR   6 -18.373  47.165 -21.180
   49    HG1  THR   6           HG1      THR   6 -18.496  47.303 -18.899
   50   1HG2  THR   6          1HG2      THR   6 -20.277  45.576 -21.371
   51   2HG2  THR   6          2HG2      THR   6 -19.976  45.026 -19.708
   52   3HG2  THR   6          3HG2      THR   6 -20.468  46.703 -20.019
   53    H    TYR   7           H        TYR   7 -15.122  44.800 -20.112
   54    HA   TYR   7           HA       TYR   7 -14.047  47.266 -21.152
   55   1HB   TYR   7          1HB       TYR   7 -12.459  44.962 -20.004
   56   2HB   TYR   7          2HB       TYR   7 -11.954  46.636 -20.140
   57    HD1  TYR   7           HD1      TYR   7 -15.092  47.342 -18.953
   58    HD2  TYR   7           HD2      TYR   7 -11.507  45.284 -17.702
   59    HE1  TYR   7           HE1      TYR   7 -15.804  47.512 -16.590
   60    HE2  TYR   7           HE2      TYR   7 -12.255  45.433 -15.330
   61    HH   TYR   7           HH       TYR   7 -14.360  45.666 -14.022
   62    H    THR   8           H        THR   8 -12.434  47.671 -22.706
   63    HA   THR   8           HA       THR   8 -12.380  46.119 -25.074
   64    HB   THR   8           HB       THR   8 -10.345  48.216 -24.200
   65    HG1  THR   8           HG1      THR   8 -11.874  49.649 -25.217
   66   1HG2  THR   8          1HG2      THR   8 -11.485  47.468 -26.936
   67   2HG2  THR   8          2HG2      THR   8 -10.411  48.846 -26.619
   68   3HG2  THR   8          3HG2      THR   8  -9.809  47.208 -26.384
   69    H    MET   9           H        MET   9 -10.592  44.961 -26.047
   70    HA   MET   9           HA       MET   9  -9.181  43.172 -24.363
   71   1HB   MET   9          1HB       MET   9  -8.487  43.898 -27.236
   72   2HB   MET   9          2HB       MET   9  -8.061  42.417 -26.373
   73   1HG   MET   9          1HG       MET   9 -10.843  43.322 -27.191
   74   2HG   MET   9          2HG       MET   9  -9.921  42.000 -27.890
   75   1HE   MET   9          1HE       MET   9 -12.551  41.027 -27.486
   76   2HE   MET   9          2HE       MET   9 -13.178  40.669 -25.859
   77   3HE   MET   9          3HE       MET   9 -12.999  42.356 -26.390
   78    H    CYS  10           H        CYS  10  -7.218  43.198 -23.404
   79    HA   CYS  10           HA       CYS  10  -5.531  45.543 -23.331
   80   1HB   CYS  10          1HB       CYS  10  -4.841  42.673 -22.677
   81   2HB   CYS  10          2HB       CYS  10  -3.973  44.079 -22.140
   82    H    ASP  11           H        ASP  11  -3.493  45.864 -24.265
   83    HA   ASP  11           HA       ASP  11  -2.785  44.975 -26.843
   84   1HB   ASP  11          1HB       ASP  11  -1.995  47.025 -25.757
   85   2HB   ASP  11          2HB       ASP  11  -1.119  46.088 -24.552
   86    H    LYS  12           H        LYS  12  -1.976  43.110 -27.570
   87    HA   LYS  12           HA       LYS  12  -1.598  40.857 -25.906
   88   1HB   LYS  12          1HB       LYS  12  -0.838  41.318 -28.820
   89   2HB   LYS  12          2HB       LYS  12  -0.777  39.743 -28.036
   90   1HG   LYS  12          1HG       LYS  12  -3.216  39.839 -27.578
   91   2HG   LYS  12          2HG       LYS  12  -3.290  41.429 -28.319
   92   1HD   LYS  12          1HD       LYS  12  -3.721  40.482 -30.256
   93   2HD   LYS  12          2HD       LYS  12  -2.084  39.859 -30.326
   94   1HE   LYS  12          HE2       LYS  12  -4.354  38.348 -28.944
   95   2HE   LYS  12          HE3       LYS  12  -4.097  38.280 -30.688
   96   1HZ   LYS  12          HZ1       LYS  12  -1.752  37.524 -30.174
   97   2HZ   LYS  12          HZ2       LYS  12  -2.216  37.283 -28.629
   98   3HZ   LYS  12          HZ3       LYS  12  -2.937  36.456 -29.839
   99    H    ALA  13           H        ALA  13   0.738  43.316 -26.456
  100    HA   ALA  13           HA       ALA  13   3.001  41.437 -25.879
  101   1HB   ALA  13          1HB       ALA  13   4.371  43.054 -27.111
  102   2HB   ALA  13          2HB       ALA  13   3.020  42.473 -28.102
  103   3HB   ALA  13          3HB       ALA  13   2.949  44.090 -27.364
  104    H    LYS  14           H        LYS  14   1.312  44.105 -24.444
  105    HA   LYS  14           HA       LYS  14   3.623  45.171 -22.975
  106   1HB   LYS  14          1HB       LYS  14   0.646  45.625 -22.689
  107   2HB   LYS  14          2HB       LYS  14   1.835  46.543 -21.797
  108   1HG   LYS  14          1HG       LYS  14   1.700  46.429 -24.814
  109   2HG   LYS  14          2HG       LYS  14   0.829  47.625 -23.846
  110   1HD   LYS  14          1HD       LYS  14   3.069  48.394 -22.961
  111   2HD   LYS  14          2HD       LYS  14   3.844  47.309 -24.131
  112   1HE   LYS  14          HE2       LYS  14   1.949  49.629 -24.737
  113   2HE   LYS  14          HE3       LYS  14   3.696  49.615 -25.000
  114   1HZ   LYS  14          HZ1       LYS  14   3.294  47.769 -26.613
  115   2HZ   LYS  14          HZ2       LYS  14   1.673  47.953 -26.435
  116   3HZ   LYS  14          HZ3       LYS  14   2.551  49.172 -27.062
  117    H    PHE  15           H        PHE  15   2.096  42.337 -22.477
  118    HA   PHE  15           HA       PHE  15   1.624  42.366 -19.597
  119   1HB   PHE  15          1HB       PHE  15   1.507  40.273 -21.796
  120   2HB   PHE  15          2HB       PHE  15   1.336  39.823 -20.113
  121    HD1  PHE  15           HD1      PHE  15  -0.426  40.925 -18.665
  122    HD2  PHE  15           HD2      PHE  15  -0.422  41.123 -22.976
  123    HE1  PHE  15           HE1      PHE  15  -2.874  41.364 -18.647
  124    HE2  PHE  15           HE2      PHE  15  -2.840  41.564 -22.959
  125    HZ   PHE  15           HZ       PHE  15  -4.085  41.629 -20.773
  126    H    THR  16           H        THR  16   2.503  41.057 -18.056
  127    HA   THR  16           HA       THR  16   4.920  39.448 -18.572
  128    HB   THR  16           HB       THR  16   5.956  40.273 -16.488
  129    HG1  THR  16           HG1      THR  16   3.713  41.997 -16.517
  130   1HG2  THR  16          1HG2      THR  16   6.624  41.302 -18.670
  131   2HG2  THR  16          2HG2      THR  16   5.456  42.609 -18.376
  132   3HG2  THR  16          3HG2      THR  16   6.823  42.380 -17.273
  133    H    TRP  17           H        TRP  17   5.111  37.680 -17.081
  134    HA   TRP  17           HA       TRP  17   2.623  36.738 -15.906
  135   1HB   TRP  17          1HB       TRP  17   5.439  35.615 -16.010
  136   2HB   TRP  17          2HB       TRP  17   4.112  34.830 -15.169
  137    HD1  TRP  17           HD1      TRP  17   5.792  34.589 -18.334
  138    HE1  TRP  17           HE1      TRP  17   4.375  33.303 -20.077
  139    HE3  TRP  17           HE3      TRP  17   1.232  34.793 -15.998
  140    HZ2  TRP  17           HZ2      TRP  17   1.602  32.603 -20.454
  141    HZ3  TRP  17           HZ3      TRP  17  -0.763  33.835 -17.090
  142    HH2  TRP  17           HH2      TRP  17  -0.591  32.716 -19.299
  143    H    LYS  18           H        LYS  18   1.893  37.323 -13.985
  144    HA   LYS  18           HA       LYS  18   3.672  38.264 -11.789
  145   1HB   LYS  18          1HB       LYS  18   1.362  39.318 -12.493
  146   2HB   LYS  18          2HB       LYS  18   0.659  37.938 -11.652
  147   1HG   LYS  18          1HG       LYS  18   2.265  38.772  -9.686
  148   2HG   LYS  18          2HG       LYS  18   2.219  40.290 -10.583
  149   1HD   LYS  18          1HD       LYS  18  -0.093  38.740  -9.375
  150   2HD   LYS  18          2HD       LYS  18   0.527  40.290  -8.829
  151   1HE   LYS  18          HE2       LYS  18  -0.303  41.373 -10.916
  152   2HE   LYS  18          HE3       LYS  18  -0.874  39.808 -11.495
  153   1HZ   LYS  18          HZ1       LYS  18  -2.290  39.698  -9.464
  154   2HZ   LYS  18          HZ2       LYS  18  -1.896  41.243  -9.117
  155   3HZ   LYS  18          HZ3       LYS  18  -2.739  40.908 -10.498
  156    H    ARG  19           H        ARG  19   1.526  35.647 -12.724
  157    HA   ARG  19           HA       ARG  19   2.946  33.708 -10.992
  158   1HB   ARG  19          1HB       ARG  19   0.779  34.528  -9.835
  159   2HB   ARG  19          2HB       ARG  19  -0.083  33.762 -11.173
  160   1HG   ARG  19          1HG       ARG  19   1.264  31.613 -10.481
  161   2HG   ARG  19          2HG       ARG  19   1.482  32.478  -8.953
  162   1HD   ARG  19          1HD       ARG  19  -1.108  31.628 -10.309
  163   2HD   ARG  19          2HD       ARG  19  -0.458  31.067  -8.765
  164    HE   ARG  19           HE       ARG  19  -1.113  33.966  -8.887
  165   1HH1  ARG  19          1HH1      ARG  19  -2.415  30.825  -8.018
  166   2HH1  ARG  19          2HH1      ARG  19  -3.721  31.542  -7.108
  167   1HH2  ARG  19          1HH2      ARG  19  -2.729  34.801  -7.854
  168   2HH2  ARG  19          2HH2      ARG  19  -3.921  33.809  -7.016
  169    H    ALA  20           H        ALA  20   3.763  32.372 -12.609
  170    HA   ALA  20           HA       ALA  20   2.570  32.099 -15.198
  171   1HB   ALA  20          1HB       ALA  20   4.187  30.243 -15.467
  172   2HB   ALA  20          2HB       ALA  20   4.954  31.684 -14.774
  173   3HB   ALA  20          3HB       ALA  20   4.545  30.298 -13.732
  174    HA   PRO  21           HA       PRO  21  -0.731  29.165 -14.664
  175   1HB   PRO  21          1HB       PRO  21   0.587  27.609 -16.878
  176   2HB   PRO  21          2HB       PRO  21  -1.143  28.012 -16.633
  177   1HG   PRO  21          1HG       PRO  21   0.364  29.468 -18.343
  178   2HG   PRO  21          2HG       PRO  21  -0.797  30.276 -17.261
  179   1HD   PRO  21          1HD       PRO  21   2.195  30.067 -16.957
  180   2HD   PRO  21          2HD       PRO  21   1.101  31.426 -16.594
  181    H    THR  22           H        THR  22  -0.905  27.952 -12.978
  182    HA   THR  22           HA       THR  22   0.689  25.455 -12.682
  183    HB   THR  22           HB       THR  22   1.737  26.974 -11.155
  184    HG1  THR  22           HG1      THR  22  -0.073  25.533  -9.529
  185   1HG2  THR  22          1HG2      THR  22   0.614  28.117  -9.337
  186   2HG2  THR  22          2HG2      THR  22  -0.086  28.668 -10.867
  187   3HG2  THR  22          3HG2      THR  22  -0.960  27.487  -9.856
  188    H    ASP  23           H        ASP  23  -0.405  23.886 -11.253
  189    HA   ASP  23           HA       ASP  23  -3.296  23.733 -11.521
  190   1HB   ASP  23          1HB       ASP  23  -2.051  21.679 -11.348
  191   2HB   ASP  23          2HB       ASP  23  -1.286  22.207  -9.848
  192    H    SER  24           H        SER  24  -4.782  24.218 -10.037
  193    HA   SER  24           HA       SER  24  -4.370  26.183  -7.893
  194   1HB   SER  24          1HB       SER  24  -6.864  25.863  -7.719
  195   2HB   SER  24          2HB       SER  24  -6.340  26.248  -9.370
  196    HG   SER  24           HG       SER  24  -7.519  24.515  -9.789
  197    H    GLY  25           H        GLY  25  -4.679  22.698  -8.222
  198   1HA   GLY  25          1HA       GLY  25  -4.485  21.104  -6.400
  199   2HA   GLY  25          2HA       GLY  25  -5.208  22.290  -5.305
  200    H    HIS  26           H        HIS  26  -6.886  22.683  -8.149
  201    HA   HIS  26           HA       HIS  26  -9.054  20.799  -7.361
  202   1HB   HIS  26          1HB       HIS  26  -9.399  23.034  -9.327
  203   2HB   HIS  26          2HB       HIS  26 -10.594  22.270  -8.316
  204    HD1  HIS  26           HD1      HIS  26  -9.896  25.561  -8.647
  205    HD2  HIS  26           HD2      HIS  26  -9.058  22.889  -5.451
  206    HE1  HIS  26           HE1      HIS  26  -9.668  26.956  -6.565
  207    H    ASP  27           H        ASP  27  -6.528  20.570  -9.462
  208    HA   ASP  27           HA       ASP  27  -6.069  19.817 -11.522
  209   1HB   ASP  27          1HB       ASP  27  -8.798  18.471 -11.432
  210   2HB   ASP  27          2HB       ASP  27  -7.690  18.361 -12.784
  211    H    THR  28           H        THR  28  -7.019  22.403 -11.024
  212    HA   THR  28           HA       THR  28  -7.922  23.216 -13.748
  213    HB   THR  28           HB       THR  28  -8.994  25.198 -12.815
  214    HG1  THR  28           HG1      THR  28  -9.217  25.503 -10.604
  215   1HG2  THR  28          1HG2      THR  28 -10.094  22.682 -11.488
  216   2HG2  THR  28          2HG2      THR  28 -10.961  24.213 -11.713
  217   3HG2  THR  28          3HG2      THR  28 -10.467  23.252 -13.122
  218    H    VAL  29           H        VAL  29  -7.062  25.291 -14.374
  219    HA   VAL  29           HA       VAL  29  -4.257  25.507 -13.445
  220    HB   VAL  29           HB       VAL  29  -5.316  26.327 -16.162
  221   1HG1  VAL  29          1HG1      VAL  29  -2.551  25.585 -15.094
  222   2HG1  VAL  29          2HG1      VAL  29  -2.931  26.017 -16.769
  223   3HG1  VAL  29          3HG1      VAL  29  -3.111  27.225 -15.483
  224   1HG2  VAL  29          1HG2      VAL  29  -4.181  23.626 -15.337
  225   2HG2  VAL  29          2HG2      VAL  29  -5.827  23.927 -15.926
  226   3HG2  VAL  29          3HG2      VAL  29  -4.467  24.175 -17.011
  227    H    VAL  30           H        VAL  30  -3.826  27.213 -12.295
  228    HA   VAL  30           HA       VAL  30  -5.378  29.742 -12.658
  229    HB   VAL  30           HB       VAL  30  -4.502  30.427 -10.452
  230   1HG1  VAL  30          1HG1      VAL  30  -6.214  27.944 -10.549
  231   2HG1  VAL  30          2HG1      VAL  30  -6.052  28.989  -9.120
  232   3HG1  VAL  30          3HG1      VAL  30  -6.740  29.631 -10.617
  233   1HG2  VAL  30          1HG2      VAL  30  -2.562  29.017 -10.187
  234   2HG2  VAL  30          2HG2      VAL  30  -3.685  28.743  -8.849
  235   3HG2  VAL  30          3HG2      VAL  30  -3.572  27.552 -10.156
  236    H    MET  31           H        MET  31  -4.351  31.619 -13.055
  237    HA   MET  31           HA       MET  31  -1.439  31.812 -12.960
  238   1HB   MET  31          1HB       MET  31  -1.059  32.396 -15.259
  239   2HB   MET  31          2HB       MET  31  -1.858  30.839 -15.226
  240   1HG   MET  31          1HG       MET  31  -3.983  32.610 -15.356
  241   2HG   MET  31          2HG       MET  31  -2.782  33.402 -16.346
  242   1HE   MET  31          1HE       MET  31  -5.168  30.323 -15.838
  243   2HE   MET  31          2HE       MET  31  -4.621  29.208 -17.114
  244   3HE   MET  31          3HE       MET  31  -3.573  29.548 -15.733
  245    H    GLU  32           H        GLU  32  -0.730  34.056 -13.522
  246    HA   GLU  32           HA       GLU  32  -2.815  36.094 -13.220
  247   1HB   GLU  32          1HB       GLU  32  -2.028  35.022 -10.959
  248   2HB   GLU  32          2HB       GLU  32  -0.584  36.020 -11.182
  249   1HG   GLU  32          1HG       GLU  32  -1.958  38.030 -11.226
  250   2HG   GLU  32          2HG       GLU  32  -3.425  37.068 -11.138
  251    H    VAL  33           H        VAL  33  -2.156  38.151 -13.904
  252    HA   VAL  33           HA       VAL  33   0.672  38.445 -14.854
  253    HB   VAL  33           HB       VAL  33  -0.214  39.556 -16.889
  254   1HG1  VAL  33          1HG1      VAL  33  -1.013  36.641 -16.651
  255   2HG1  VAL  33          2HG1      VAL  33  -0.428  37.525 -18.086
  256   3HG1  VAL  33          3HG1      VAL  33   0.664  37.214 -16.757
  257   1HG2  VAL  33          1HG2      VAL  33  -2.862  38.236 -16.172
  258   2HG2  VAL  33          2HG2      VAL  33  -2.548  39.985 -16.094
  259   3HG2  VAL  33          3HG2      VAL  33  -2.478  39.134 -17.644
  260    H    ALA  34           H        ALA  34   1.428  40.442 -15.391
  261    HA   ALA  34           HA       ALA  34   0.150  42.804 -14.110
  262   1HB   ALA  34          1HB       ALA  34   3.072  41.937 -13.955
  263   2HB   ALA  34          2HB       ALA  34   2.452  43.517 -13.434
  264   3HB   ALA  34          3HB       ALA  34   1.919  42.035 -12.613
  265    H    PHE  35           H        PHE  35   0.157  44.592 -15.390
  266    HA   PHE  35           HA       PHE  35   0.962  44.106 -18.222
  267   1HB   PHE  35          1HB       PHE  35  -1.342  43.501 -17.710
  268   2HB   PHE  35          2HB       PHE  35  -1.634  45.084 -16.994
  269    HD1  PHE  35           HD1      PHE  35  -0.368  43.624 -20.231
  270    HD2  PHE  35           HD2      PHE  35  -2.834  46.616 -18.336
  271    HE1  PHE  35           HE1      PHE  35  -1.155  44.380 -22.434
  272    HE2  PHE  35           HE2      PHE  35  -3.552  47.405 -20.572
  273    HZ   PHE  35           HZ       PHE  35  -2.680  46.347 -22.611
  274    H    SER  36           H        SER  36   2.030  45.643 -19.212
  275    HA   SER  36           HA       SER  36   2.587  48.177 -17.935
  276   1HB   SER  36          1HB       SER  36   3.467  47.463 -20.730
  277   2HB   SER  36          2HB       SER  36   4.300  48.407 -19.496
  278    HG   SER  36           HG       SER  36   3.934  45.589 -19.698
  279    H    GLY  37           H        GLY  37  -0.020  47.361 -19.846
  280   1HA   GLY  37          1HA       GLY  37  -0.163  49.915 -21.371
  281   2HA   GLY  37          2HA       GLY  37  -1.098  48.456 -21.672
  282    H    THR  38           H        THR  38  -2.970  49.828 -21.758
  283    HA   THR  38           HA       THR  38  -3.952  51.680 -19.957
  284    HB   THR  38           HB       THR  38  -6.234  50.736 -20.937
  285    HG1  THR  38           HG1      THR  38  -5.899  49.556 -22.802
  286   1HG2  THR  38          1HG2      THR  38  -5.842  51.919 -23.049
  287   2HG2  THR  38          2HG2      THR  38  -5.179  52.831 -21.685
  288   3HG2  THR  38          3HG2      THR  38  -4.089  51.914 -22.752
  289    H    LYS  39           H        LYS  39  -5.569  51.708 -18.416
  290    HA   LYS  39           HA       LYS  39  -6.479  49.179 -17.175
  291   1HB   LYS  39          1HB       LYS  39  -5.574  51.593 -15.562
  292   2HB   LYS  39          2HB       LYS  39  -6.201  50.073 -14.947
  293   1HG   LYS  39          1HG       LYS  39  -3.557  50.468 -16.375
  294   2HG   LYS  39          2HG       LYS  39  -3.778  50.351 -14.632
  295   1HD   LYS  39          1HD       LYS  39  -4.607  48.034 -14.842
  296   2HD   LYS  39          2HD       LYS  39  -4.413  48.092 -16.581
  297   1HE   LYS  39          HE2       LYS  39  -2.265  48.126 -14.448
  298   2HE   LYS  39          HE3       LYS  39  -2.528  46.946 -15.732
  299   1HZ   LYS  39          HZ1       LYS  39  -0.735  48.218 -16.448
  300   2HZ   LYS  39          HZ2       LYS  39  -1.967  48.873 -17.316
  301   3HZ   LYS  39          HZ3       LYS  39  -1.415  49.659 -16.006
  302    HA   PRO  40           HA       PRO  40  -8.427  48.359 -16.658
  303   1HB   PRO  40          1HB       PRO  40 -10.877  47.774 -17.601
  304   2HB   PRO  40          2HB       PRO  40 -10.682  48.685 -16.073
  305   1HG   PRO  40          1HG       PRO  40 -11.206  49.787 -18.865
  306   2HG   PRO  40          2HG       PRO  40 -12.108  50.146 -17.356
  307   1HD   PRO  40          1HD       PRO  40 -10.072  51.738 -18.273
  308   2HD   PRO  40          2HD       PRO  40 -10.363  51.494 -16.527
  309    H    CYS  41           H        CYS  41  -8.386  46.451 -18.007
  310    HA   CYS  41           HA       CYS  41  -9.498  46.606 -20.673
  311   1HB   CYS  41          1HB       CYS  41  -7.559  45.838 -21.916
  312   2HB   CYS  41          2HB       CYS  41  -7.218  47.373 -21.138
  313    H    ARG  42           H        ARG  42  -9.534  44.459 -21.721
  314    HA   ARG  42           HA       ARG  42  -9.982  42.196 -19.831
  315   1HB   ARG  42          1HB       ARG  42 -11.796  43.070 -21.377
  316   2HB   ARG  42          2HB       ARG  42 -10.813  42.507 -22.737
  317   1HG   ARG  42          1HG       ARG  42 -10.896  40.167 -21.576
  318   2HG   ARG  42          2HG       ARG  42 -12.139  40.871 -20.537
  319   1HD   ARG  42          1HD       ARG  42 -12.193  40.379 -23.527
  320   2HD   ARG  42          2HD       ARG  42 -13.273  39.739 -22.309
  321    HE   ARG  42           HE       ARG  42 -13.179  42.654 -23.091
  322   1HH1  ARG  42          1HH1      ARG  42 -15.261  39.998 -21.925
  323   2HH1  ARG  42          2HH1      ARG  42 -16.662  41.046 -22.200
  324   1HH2  ARG  42          1HH2      ARG  42 -14.926  43.783 -23.149
  325   2HH2  ARG  42          2HH2      ARG  42 -16.505  43.032 -22.777
  326    H    ILE  43           H        ILE  43  -8.809  40.428 -19.817
  327    HA   ILE  43           HA       ILE  43  -6.236  40.652 -21.098
  328    HB   ILE  43           HB       ILE  43  -7.357  38.507 -19.266
  329   1HG1  ILE  43          2HG1      ILE  43  -5.544  40.931 -18.773
  330   2HG1  ILE  43          3HG1      ILE  43  -7.230  40.834 -18.299
  331   1HG2  ILE  43          1HG2      ILE  43  -4.469  39.127 -20.022
  332   2HG2  ILE  43          2HG2      ILE  43  -5.031  37.799 -18.987
  333   3HG2  ILE  43          3HG2      ILE  43  -5.394  37.777 -20.708
  334   1HD1  ILE  43          1HD1      ILE  43  -5.004  39.131 -17.147
  335   2HD1  ILE  43          2HD1      ILE  43  -5.826  40.501 -16.389
  336   3HD1  ILE  43          3HD1      ILE  43  -6.724  39.016 -16.718
  337    HA   PRO  44           HA       PRO  44  -7.635  38.218 -24.689
  338   1HB   PRO  44          1HB       PRO  44  -5.430  38.473 -26.269
  339   2HB   PRO  44          2HB       PRO  44  -6.549  39.833 -25.957
  340   1HG   PRO  44          1HG       PRO  44  -3.962  39.218 -24.474
  341   2HG   PRO  44          2HG       PRO  44  -4.437  40.756 -25.253
  342   1HD   PRO  44          1HD       PRO  44  -4.807  40.299 -22.616
  343   2HD   PRO  44          2HD       PRO  44  -6.049  41.170 -23.577
  344    H    VAL  45           H        VAL  45  -7.647  36.493 -23.123
  345    HA   VAL  45           HA       VAL  45  -5.238  34.785 -23.023
  346    HB   VAL  45           HB       VAL  45  -7.165  35.739 -21.091
  347   1HG1  VAL  45          1HG1      VAL  45  -6.848  32.725 -21.015
  348   2HG1  VAL  45          2HG1      VAL  45  -7.515  33.749 -19.731
  349   3HG1  VAL  45          3HG1      VAL  45  -8.372  33.604 -21.272
  350   1HG2  VAL  45          1HG2      VAL  45  -4.747  33.964 -20.665
  351   2HG2  VAL  45          2HG2      VAL  45  -4.630  35.672 -21.148
  352   3HG2  VAL  45          3HG2      VAL  45  -5.393  35.258 -19.635
  353    H    ARG  46           H        ARG  46  -5.141  32.706 -23.322
  354    HA   ARG  46           HA       ARG  46  -7.398  31.045 -24.073
  355   1HB   ARG  46          1HB       ARG  46  -6.499  30.473 -26.350
  356   2HB   ARG  46          2HB       ARG  46  -7.090  32.134 -26.237
  357   1HG   ARG  46          1HG       ARG  46  -4.756  32.915 -25.886
  358   2HG   ARG  46          2HG       ARG  46  -4.177  31.255 -26.105
  359   1HD   ARG  46          1HD       ARG  46  -4.641  31.290 -28.423
  360   2HD   ARG  46          2HD       ARG  46  -5.742  32.671 -28.267
  361    HE   ARG  46           HE       ARG  46  -3.688  33.952 -27.468
  362   1HH1  ARG  46          1HH1      ARG  46  -3.095  31.468 -30.039
  363   2HH1  ARG  46          2HH1      ARG  46  -1.775  32.444 -30.581
  364   1HH2  ARG  46          1HH2      ARG  46  -1.845  34.827 -28.135
  365   2HH2  ARG  46          2HH2      ARG  46  -1.110  34.363 -29.616
  366    H    ALA  47           H        ALA  47  -6.807  28.857 -24.209
  367    HA   ALA  47           HA       ALA  47  -3.931  28.148 -23.723
  368   1HB   ALA  47          1HB       ALA  47  -4.730  26.071 -22.695
  369   2HB   ALA  47          2HB       ALA  47  -5.306  27.483 -21.767
  370   3HB   ALA  47          3HB       ALA  47  -6.411  26.604 -22.852
  371    H    VAL  48           H        VAL  48  -3.086  27.127 -25.521
  372    HA   VAL  48           HA       VAL  48  -5.064  25.977 -27.458
  373    HB   VAL  48           HB       VAL  48  -3.841  26.784 -29.271
  374   1HG1  VAL  48          1HG1      VAL  48  -4.342  29.113 -29.120
  375   2HG1  VAL  48          2HG1      VAL  48  -5.520  28.270 -28.118
  376   3HG1  VAL  48          3HG1      VAL  48  -4.160  29.111 -27.351
  377   1HG2  VAL  48          1HG2      VAL  48  -1.977  28.389 -29.080
  378   2HG2  VAL  48          2HG2      VAL  48  -1.886  28.074 -27.353
  379   3HG2  VAL  48          3HG2      VAL  48  -1.532  26.776 -28.528
  380    H    ALA  49           H        ALA  49  -4.968  23.919 -27.697
  381    HA   ALA  49           HA       ALA  49  -2.943  22.301 -26.496
  382   1HB   ALA  49          1HB       ALA  49  -5.260  21.555 -26.742
  383   2HB   ALA  49          2HB       ALA  49  -5.113  21.588 -28.518
  384   3HB   ALA  49          3HB       ALA  49  -4.166  20.430 -27.560
  385    H    HIS  50           H        HIS  50  -1.369  20.981 -27.375
  386    HA   HIS  50           HA       HIS  50   0.270  21.937 -29.384
  387   1HB   HIS  50          1HB       HIS  50   0.786  20.355 -27.514
  388   2HB   HIS  50          2HB       HIS  50   0.111  19.042 -28.471
  389    HD1  HIS  50           HD1      HIS  50   3.266  20.594 -27.680
  390    HD2  HIS  50           HD2      HIS  50   1.498  18.904 -31.120
  391    HE1  HIS  50           HE1      HIS  50   5.184  20.043 -29.330
  392    H    GLY  51           H        GLY  51  -0.825  22.422 -31.265
  393   1HA   GLY  51          1HA       GLY  51  -0.487  21.097 -33.562
  394   2HA   GLY  51          2HA       GLY  51  -1.923  20.259 -32.981
  395    H    ALA  52           H        ALA  52  -2.850  22.990 -31.732
  396    HA   ALA  52           HA       ALA  52  -3.579  24.434 -34.247
  397   1HB   ALA  52          1HB       ALA  52  -5.911  24.515 -33.541
  398   2HB   ALA  52          2HB       ALA  52  -5.372  22.850 -33.825
  399   3HB   ALA  52          3HB       ALA  52  -5.552  23.453 -32.160
  400    HA   PRO  53           HA       PRO  53  -1.950  27.060 -30.873
  401   1HB   PRO  53          1HB       PRO  53  -0.493  28.872 -32.301
  402   2HB   PRO  53          2HB       PRO  53   0.017  27.173 -32.063
  403   1HG   PRO  53          1HG       PRO  53  -1.482  28.342 -34.436
  404   2HG   PRO  53          2HG       PRO  53   0.014  27.350 -34.460
  405   1HD   PRO  53          1HD       PRO  53  -2.449  26.253 -34.827
  406   2HD   PRO  53          2HD       PRO  53  -1.177  25.380 -33.917
  407    H    ASP  54           H        ASP  54  -4.363  27.795 -33.053
  408    HA   ASP  54           HA       ASP  54  -4.937  30.545 -32.151
  409   1HB   ASP  54          1HB       ASP  54  -6.472  30.479 -34.067
  410   2HB   ASP  54          2HB       ASP  54  -4.822  30.108 -34.558
  411    H    VAL  55           H        VAL  55  -6.348  27.277 -32.382
  412    HA   VAL  55           HA       VAL  55  -8.905  27.901 -31.296
  413    HB   VAL  55           HB       VAL  55  -7.475  25.211 -31.363
  414   1HG1  VAL  55          1HG1      VAL  55  -9.777  24.259 -31.234
  415   2HG1  VAL  55          2HG1      VAL  55  -9.371  25.146 -29.766
  416   3HG1  VAL  55          3HG1      VAL  55 -10.433  25.892 -30.978
  417   1HG2  VAL  55          1HG2      VAL  55  -8.866  24.813 -33.375
  418   2HG2  VAL  55          2HG2      VAL  55  -9.497  26.474 -33.276
  419   3HG2  VAL  55          3HG2      VAL  55  -7.786  26.182 -33.622
  420    H    ASP  56           H        ASP  56  -9.088  28.900 -29.361
  421    HA   ASP  56           HA       ASP  56  -7.671  28.140 -26.996
  422   1HB   ASP  56          1HB       ASP  56  -8.826  30.320 -27.288
  423   2HB   ASP  56          2HB       ASP  56 -10.383  29.492 -27.179
  424    H    VAL  57           H        VAL  57  -7.892  26.471 -25.746
  425    HA   VAL  57           HA       VAL  57 -10.347  24.762 -25.768
  426    HB   VAL  57           HB       VAL  57  -9.048  22.884 -25.132
  427   1HG1  VAL  57          1HG1      VAL  57  -9.120  23.430 -27.555
  428   2HG1  VAL  57          2HG1      VAL  57  -7.566  24.272 -27.401
  429   3HG1  VAL  57          3HG1      VAL  57  -7.663  22.528 -27.095
  430   1HG2  VAL  57          1HG2      VAL  57  -6.661  22.819 -24.841
  431   2HG2  VAL  57          2HG2      VAL  57  -6.496  24.531 -25.178
  432   3HG2  VAL  57          3HG2      VAL  57  -7.312  24.000 -23.695
  433    H    ALA  58           H        ALA  58  -9.109  27.233 -23.947
  434    HA   ALA  58           HA       ALA  58  -9.255  26.100 -21.288
  435   1HB   ALA  58          1HB       ALA  58  -9.301  28.982 -22.285
  436   2HB   ALA  58          2HB       ALA  58  -9.090  28.469 -20.608
  437   3HB   ALA  58          3HB       ALA  58  -7.861  28.054 -21.820
  438    H    MET  59           H        MET  59 -11.172  25.296 -20.531
  439    HA   MET  59           HA       MET  59 -13.640  26.950 -20.694
  440   1HB   MET  59          1HB       MET  59 -13.923  24.514 -20.534
  441   2HB   MET  59          2HB       MET  59 -13.052  24.493 -18.986
  442   1HG   MET  59          1HG       MET  59 -14.745  25.974 -17.987
  443   2HG   MET  59          2HG       MET  59 -15.566  26.132 -19.541
  444   1HE   MET  59          1HE       MET  59 -18.089  24.275 -17.217
  445   2HE   MET  59          2HE       MET  59 -16.866  25.461 -16.709
  446   3HE   MET  59          3HE       MET  59 -17.778  25.715 -18.214
  447    H    LEU  60           H        LEU  60 -13.195  28.936 -19.772
  448    HA   LEU  60           HA       LEU  60 -11.604  29.350 -17.429
  449   1HB   LEU  60          1HB       LEU  60 -13.843  31.075 -18.531
  450   2HB   LEU  60          2HB       LEU  60 -12.674  31.541 -17.308
  451    HG   LEU  60           HG       LEU  60 -11.091  30.561 -19.477
  452   1HD1  LEU  60          1HD1      LEU  60 -13.072  30.811 -20.952
  453   2HD1  LEU  60          2HD1      LEU  60 -13.238  32.506 -20.438
  454   3HD1  LEU  60          3HD1      LEU  60 -11.808  31.978 -21.354
  455   1HD2  LEU  60          1HD2      LEU  60 -11.721  33.401 -18.637
  456   2HD2  LEU  60          2HD2      LEU  60 -10.455  32.362 -17.941
  457   3HD2  LEU  60          3HD2      LEU  60 -10.333  32.894 -19.631
  458    H    ILE  61           H        ILE  61 -11.958  29.075 -15.367
  459    HA   ILE  61           HA       ILE  61 -14.582  28.046 -14.376
  460    HB   ILE  61           HB       ILE  61 -11.797  27.912 -13.171
  461   1HG1  ILE  61          2HG1      ILE  61 -11.831  26.454 -15.079
  462   2HG1  ILE  61          3HG1      ILE  61 -11.866  25.488 -13.625
  463   1HG2  ILE  61          1HG2      ILE  61 -13.430  27.905 -11.381
  464   2HG2  ILE  61          2HG2      ILE  61 -14.392  26.660 -12.197
  465   3HG2  ILE  61          3HG2      ILE  61 -12.772  26.283 -11.562
  466   1HD1  ILE  61          1HD1      ILE  61 -13.343  24.548 -15.325
  467   2HD1  ILE  61          2HD1      ILE  61 -14.321  25.108 -13.959
  468   3HD1  ILE  61          3HD1      ILE  61 -14.237  26.066 -15.459
  469    H    THR  62           H        THR  62 -12.120  30.556 -13.874
  470    HA   THR  62           HA       THR  62 -13.985  31.997 -12.049
  471    HB   THR  62           HB       THR  62 -11.330  31.892 -11.850
  472    HG1  THR  62           HG1      THR  62 -11.524  33.688 -10.613
  473   1HG2  THR  62          1HG2      THR  62 -11.708  34.507 -13.354
  474   2HG2  THR  62          2HG2      THR  62 -10.229  33.870 -12.634
  475   3HG2  THR  62          3HG2      THR  62 -10.942  33.071 -14.066
  476    HA   PRO  63           HA       PRO  63 -15.799  34.293 -15.334
  477   1HB   PRO  63          1HB       PRO  63 -15.109  36.902 -13.989
  478   2HB   PRO  63          2HB       PRO  63 -16.695  36.336 -14.597
  479   1HG   PRO  63          1HG       PRO  63 -16.145  36.283 -11.945
  480   2HG   PRO  63          2HG       PRO  63 -16.983  34.896 -12.717
  481   1HD   PRO  63          1HD       PRO  63 -14.053  35.163 -12.014
  482   2HD   PRO  63          2HD       PRO  63 -15.160  33.782 -11.744
  483    H    ASN  64           H        ASN  64 -15.605  35.950 -16.963
  484    HA   ASN  64           HA       ASN  64 -13.552  36.238 -18.667
  485   1HB   ASN  64          1HB       ASN  64 -15.716  37.053 -19.155
  486   2HB   ASN  64          2HB       ASN  64 -15.719  38.142 -17.775
  487   1HD2  ASN  64          2HD2      ASN  64 -14.016  39.862 -17.831
  488   2HD2  ASN  64          1HD2      ASN  64 -14.199  40.859 -19.291
  489    HA   PRO  65           HA       PRO  65 -10.643  38.087 -15.761
  490   1HB   PRO  65          1HB       PRO  65  -8.279  37.502 -16.988
  491   2HB   PRO  65          2HB       PRO  65  -9.308  36.275 -16.191
  492   1HG   PRO  65          1HG       PRO  65  -9.213  36.978 -19.145
  493   2HG   PRO  65          2HG       PRO  65  -9.090  35.355 -18.387
  494   1HD   PRO  65          1HD       PRO  65 -11.452  36.302 -19.330
  495   2HD   PRO  65          2HD       PRO  65 -11.380  35.351 -17.811
  496    H    THR  66           H        THR  66  -9.813  40.046 -15.456
  497    HA   THR  66           HA       THR  66  -9.200  41.854 -17.719
  498    HB   THR  66           HB       THR  66 -10.399  43.669 -16.354
  499    HG1  THR  66           HG1      THR  66 -10.910  42.658 -14.447
  500   1HG2  THR  66          1HG2      THR  66 -12.577  43.103 -17.371
  501   2HG2  THR  66          2HG2      THR  66 -11.272  42.926 -18.483
  502   3HG2  THR  66          3HG2      THR  66 -12.000  41.474 -17.741
  503    H    MET  67           H        MET  67  -8.015  43.719 -17.151
  504    HA   MET  67           HA       MET  67  -6.311  43.467 -14.719
  505   1HB   MET  67          1HB       MET  67  -5.388  42.969 -17.265
  506   2HB   MET  67          2HB       MET  67  -5.079  44.700 -17.146
  507   1HG   MET  67          1HG       MET  67  -4.198  42.581 -15.133
  508   2HG   MET  67          2HG       MET  67  -3.193  43.231 -16.409
  509   1HE   MET  67          1HE       MET  67  -4.678  43.771 -12.854
  510   2HE   MET  67          2HE       MET  67  -3.022  43.123 -12.966
  511   3HE   MET  67          3HE       MET  67  -3.316  44.722 -12.237
  512    H    GLU  68           H        GLU  68  -6.424  45.281 -13.450
  513    HA   GLU  68           HA       GLU  68  -8.176  47.449 -14.516
  514   1HB   GLU  68          1HB       GLU  68  -8.339  45.826 -11.958
  515   2HB   GLU  68          2HB       GLU  68  -9.346  47.209 -12.301
  516   1HG   GLU  68          1HG       GLU  68 -10.764  46.041 -13.600
  517   2HG   GLU  68          2HG       GLU  68  -9.491  45.189 -14.451
  518    H    ASN  69           H        ASN  69  -8.254  49.376 -13.193
  519    HA   ASN  69           HA       ASN  69  -5.704  50.114 -11.878
  520   1HB   ASN  69          1HB       ASN  69  -6.927  52.349 -11.658
  521   2HB   ASN  69          2HB       ASN  69  -6.534  51.812 -13.283
  522   1HD2  ASN  69          2HD2      ASN  69  -8.220  52.676 -14.600
  523   2HD2  ASN  69          1HD2      ASN  69  -9.897  52.404 -14.146
  524    H    ASN  70           H        ASN  70  -8.429  48.504 -10.988
  525    HA   ASN  70           HA       ASN  70  -8.186  49.190  -8.103
  526   1HB   ASN  70          1HB       ASN  70 -10.628  49.001  -7.921
  527   2HB   ASN  70          2HB       ASN  70 -10.142  50.295  -9.003
  528   1HD2  ASN  70          1HD2      ASN  70 -10.520  50.033 -11.385
  529   2HD2  ASN  70          2HD2      ASN  70 -11.744  48.826 -11.819
  530    H    GLY  71           H        GLY  71  -6.930  46.972  -9.722
  531   1HA   GLY  71          1HA       GLY  71  -6.502  44.945  -8.181
  532   2HA   GLY  71          2HA       GLY  71  -8.193  44.559  -8.505
  533    H    GLY  72           H        GLY  72  -7.789  42.634  -9.559
  534   1HA   GLY  72          1HA       GLY  72  -8.062  41.619 -11.625
  535   2HA   GLY  72          2HA       GLY  72  -7.376  43.027 -12.415
  536    H    GLY  73           H        GLY  73  -6.655  41.099 -13.667
  537   1HA   GLY  73          1HA       GLY  73  -4.619  40.324 -14.571
  538   2HA   GLY  73          2HA       GLY  73  -3.830  40.497 -13.019
  539    H    PHE  74           H        PHE  74  -6.593  38.828 -12.231
  540    HA   PHE  74           HA       PHE  74  -5.060  36.278 -12.229
  541   1HB   PHE  74          1HB       PHE  74  -5.528  37.269 -10.025
  542   2HB   PHE  74          2HB       PHE  74  -7.253  37.302 -10.386
  543    HD1  PHE  74           HD1      PHE  74  -4.367  34.873 -10.334
  544    HD2  PHE  74           HD2      PHE  74  -8.590  35.461  -9.674
  545    HE1  PHE  74           HE1      PHE  74  -4.613  32.494  -9.772
  546    HE2  PHE  74           HE2      PHE  74  -8.816  33.061  -9.056
  547    HZ   PHE  74           HZ       PHE  74  -6.842  31.571  -9.126
  548    H    ILE  75           H        ILE  75  -5.906  34.292 -12.586
  549    HA   ILE  75           HA       ILE  75  -8.514  34.041 -13.979
  550    HB   ILE  75           HB       ILE  75  -5.928  32.993 -15.112
  551   1HG1  ILE  75          2HG1      ILE  75  -7.126  35.719 -15.678
  552   2HG1  ILE  75          3HG1      ILE  75  -5.514  35.357 -15.056
  553   1HG2  ILE  75          1HG2      ILE  75  -7.172  32.770 -17.197
  554   2HG2  ILE  75          2HG2      ILE  75  -7.998  31.926 -15.917
  555   3HG2  ILE  75          3HG2      ILE  75  -8.607  33.511 -16.450
  556   1HD1  ILE  75          1HD1      ILE  75  -6.515  34.855 -17.836
  557   2HD1  ILE  75          2HD1      ILE  75  -5.299  36.029 -17.305
  558   3HD1  ILE  75          3HD1      ILE  75  -4.935  34.292 -17.219
  559    H    GLU  76           H        GLU  76  -9.377  31.950 -13.855
  560    HA   GLU  76           HA       GLU  76  -7.642  29.679 -13.246
  561   1HB   GLU  76          1HB       GLU  76  -8.845  30.233 -11.095
  562   2HB   GLU  76          2HB       GLU  76 -10.374  29.910 -11.918
  563   1HG   GLU  76          1HG       GLU  76  -9.715  27.603 -12.389
  564   2HG   GLU  76          2HG       GLU  76  -8.109  27.879 -11.765
  565    H    MET  77           H        MET  77  -7.991  28.085 -14.704
  566    HA   MET  77           HA       MET  77 -10.534  27.871 -16.213
  567   1HB   MET  77          1HB       MET  77  -9.230  27.727 -18.349
  568   2HB   MET  77          2HB       MET  77  -9.251  29.336 -17.623
  569   1HG   MET  77          1HG       MET  77  -7.011  29.129 -16.818
  570   2HG   MET  77          2HG       MET  77  -6.981  27.400 -17.136
  571   1HE   MET  77          1HE       MET  77  -8.169  30.399 -19.467
  572   2HE   MET  77          2HE       MET  77  -6.652  31.013 -18.757
  573   3HE   MET  77          3HE       MET  77  -6.727  30.588 -20.484
  574    H    GLN  78           H        GLN  78 -10.606  25.813 -17.536
  575    HA   GLN  78           HA       GLN  78  -8.692  23.733 -16.598
  576   1HB   GLN  78          1HB       GLN  78 -10.872  23.629 -15.365
  577   2HB   GLN  78          2HB       GLN  78 -11.679  23.253 -16.893
  578   1HG   GLN  78          1HG       GLN  78 -10.456  21.171 -17.102
  579   2HG   GLN  78          2HG       GLN  78  -9.325  21.629 -15.819
  580   1HE2  GLN  78          2HE2      GLN  78  -9.696  20.559 -13.864
  581   2HE2  GLN  78          1HE2      GLN  78 -11.335  20.067 -13.397
  582    H    LEU  79           H        LEU  79  -8.325  22.002 -17.987
  583    HA   LEU  79           HA       LEU  79  -8.569  22.651 -20.879
  584   1HB   LEU  79          1HB       LEU  79  -6.089  22.391 -19.103
  585   2HB   LEU  79          2HB       LEU  79  -6.024  22.253 -20.842
  586    HG   LEU  79           HG       LEU  79  -6.883  24.613 -21.052
  587   1HD1  LEU  79          1HD1      LEU  79  -6.767  24.456 -18.045
  588   2HD1  LEU  79          2HD1      LEU  79  -6.125  25.914 -18.792
  589   3HD1  LEU  79          3HD1      LEU  79  -7.789  25.467 -19.107
  590   1HD2  LEU  79          1HD2      LEU  79  -4.530  23.975 -21.247
  591   2HD2  LEU  79          2HD2      LEU  79  -4.668  25.545 -20.447
  592   3HD2  LEU  79          3HD2      LEU  79  -4.331  24.101 -19.480
  593    HA   PRO  80           HA       PRO  80  -8.298  18.171 -21.305
  594   1HB   PRO  80          1HB       PRO  80  -7.089  17.853 -23.731
  595   2HB   PRO  80          2HB       PRO  80  -8.762  18.462 -23.533
  596   1HG   PRO  80          1HG       PRO  80  -6.229  20.084 -23.935
  597   2HG   PRO  80          2HG       PRO  80  -7.794  20.242 -24.794
  598   1HD   PRO  80          1HD       PRO  80  -7.125  21.821 -22.678
  599   2HD   PRO  80          2HD       PRO  80  -8.808  21.293 -22.948
  600    HA   PRO  81           HA       PRO  81  -4.199  17.182 -19.529
  601   1HB   PRO  81          1HB       PRO  81  -5.196  14.474 -20.413
  602   2HB   PRO  81          2HB       PRO  81  -4.291  14.916 -18.927
  603   1HG   PRO  81          1HG       PRO  81  -6.969  14.636 -18.792
  604   2HG   PRO  81          2HG       PRO  81  -6.202  16.068 -18.029
  605   1HD   PRO  81          1HD       PRO  81  -7.585  15.895 -20.718
  606   2HD   PRO  81          2HD       PRO  81  -7.741  17.141 -19.437
  607    H    GLY  82           H        GLY  82  -2.336  17.455 -20.480
  608   1HA   GLY  82          1HA       GLY  82  -0.860  16.377 -22.390
  609   2HA   GLY  82          2HA       GLY  82  -2.123  17.073 -23.417
  610    H    ASP  83           H        ASP  83   0.127  17.956 -24.122
  611    HA   ASP  83           HA       ASP  83   1.148  20.305 -22.770
  612   1HB   ASP  83          1HB       ASP  83   2.565  18.917 -24.197
  613   2HB   ASP  83          2HB       ASP  83   1.533  19.242 -25.592
  614    H    ASN  84           H        ASN  84   0.118  22.118 -22.613
  615    HA   ASN  84           HA       ASN  84  -1.612  23.145 -24.823
  616   1HB   ASN  84          1HB       ASN  84  -2.079  23.261 -21.811
  617   2HB   ASN  84          2HB       ASN  84  -3.008  24.133 -23.030
  618   1HD2  ASN  84          2HD2      ASN  84  -2.297  20.713 -21.870
  619   2HD2  ASN  84          1HD2      ASN  84  -3.928  20.241 -22.336
  620    H    ILE  85           H        ILE  85  -0.807  24.986 -25.619
  621    HA   ILE  85           HA       ILE  85   1.243  26.520 -24.124
  622    HB   ILE  85           HB       ILE  85   0.013  26.980 -26.854
  623   1HG1  ILE  85          2HG1      ILE  85   2.850  26.116 -26.730
  624   2HG1  ILE  85          3HG1      ILE  85   1.712  24.870 -26.239
  625   1HG2  ILE  85          1HG2      ILE  85   2.463  28.200 -25.523
  626   2HG2  ILE  85          2HG2      ILE  85   1.966  28.458 -27.220
  627   3HG2  ILE  85          3HG2      ILE  85   0.947  29.038 -25.897
  628   1HD1  ILE  85          1HD1      ILE  85   0.465  25.081 -28.327
  629   2HD1  ILE  85          2HD1      ILE  85   1.552  26.386 -28.867
  630   3HD1  ILE  85          3HD1      ILE  85   2.174  24.735 -28.636
  631    H    ILE  86           H        ILE  86   0.500  27.897 -22.599
  632    HA   ILE  86           HA       ILE  86  -2.254  29.032 -22.888
  633    HB   ILE  86           HB       ILE  86  -0.483  28.845 -20.440
  634   1HG1  ILE  86          2HG1      ILE  86  -2.937  27.281 -21.373
  635   2HG1  ILE  86          3HG1      ILE  86  -1.312  26.657 -21.128
  636   1HG2  ILE  86          1HG2      ILE  86  -1.959  30.863 -20.429
  637   2HG2  ILE  86          2HG2      ILE  86  -3.365  29.832 -20.777
  638   3HG2  ILE  86          3HG2      ILE  86  -2.480  29.681 -19.245
  639   1HD1  ILE  86          1HD1      ILE  86  -2.632  25.935 -19.286
  640   2HD1  ILE  86          2HD1      ILE  86  -1.528  27.176 -18.684
  641   3HD1  ILE  86          3HD1      ILE  86  -3.248  27.559 -18.968
  642    H    TYR  87           H        TYR  87  -2.480  30.986 -23.613
  643    HA   TYR  87           HA       TYR  87  -0.111  32.816 -23.702
  644   1HB   TYR  87          1HB       TYR  87  -2.576  32.584 -25.410
  645   2HB   TYR  87          2HB       TYR  87  -1.602  34.029 -25.405
  646    HD1  TYR  87           HD1      TYR  87   0.648  34.091 -26.282
  647    HD2  TYR  87           HD2      TYR  87  -1.751  30.521 -26.526
  648    HE1  TYR  87           HE1      TYR  87   2.099  33.252 -28.133
  649    HE2  TYR  87           HE2      TYR  87  -0.287  29.672 -28.352
  650    HH   TYR  87           HH       TYR  87   1.420  30.166 -29.789
  651    H    VAL  88           H        VAL  88  -0.222  34.793 -22.995
  652    HA   VAL  88           HA       VAL  88  -2.841  36.035 -22.374
  653    HB   VAL  88           HB       VAL  88  -0.276  36.452 -20.792
  654   1HG1  VAL  88          1HG1      VAL  88  -1.840  38.176 -19.614
  655   2HG1  VAL  88          2HG1      VAL  88  -1.169  38.600 -21.188
  656   3HG1  VAL  88          3HG1      VAL  88  -2.841  38.051 -21.072
  657   1HG2  VAL  88          1HG2      VAL  88  -3.002  35.902 -19.600
  658   2HG2  VAL  88          2HG2      VAL  88  -1.993  34.546 -20.145
  659   3HG2  VAL  88          3HG2      VAL  88  -1.406  35.655 -18.910
  660    H    GLY  89           H        GLY  89  -3.048  36.813 -24.400
  661   1HA   GLY  89          1HA       GLY  89  -2.715  38.313 -26.120
  662   2HA   GLY  89          2HA       GLY  89  -1.246  38.913 -25.317
  663    H    GLU  90           H        GLU  90   0.623  38.416 -26.269
  664    HA   GLU  90           HA       GLU  90   0.898  35.841 -27.782
  665   1HB   GLU  90          1HB       GLU  90   1.336  38.443 -28.768
  666   2HB   GLU  90          2HB       GLU  90   2.944  37.861 -28.372
  667   1HG   GLU  90          1HG       GLU  90   2.465  37.284 -30.666
  668   2HG   GLU  90          2HG       GLU  90   2.488  35.787 -29.730
  669    H    LEU  91           H        LEU  91   1.831  37.523 -24.975
  670    HA   LEU  91           HA       LEU  91   4.308  36.103 -24.399
  671   1HB   LEU  91          1HB       LEU  91   3.625  38.149 -23.142
  672   2HB   LEU  91          2HB       LEU  91   2.147  37.340 -22.642
  673    HG   LEU  91           HG       LEU  91   3.597  35.607 -21.443
  674   1HD1  LEU  91          1HD1      LEU  91   5.724  37.755 -21.855
  675   2HD1  LEU  91          2HD1      LEU  91   5.864  36.324 -20.812
  676   3HD1  LEU  91          3HD1      LEU  91   5.760  36.127 -22.567
  677   1HD2  LEU  91          1HD2      LEU  91   3.911  37.047 -19.496
  678   2HD2  LEU  91          2HD2      LEU  91   3.712  38.490 -20.522
  679   3HD2  LEU  91          3HD2      LEU  91   2.356  37.366 -20.276
  680    H    LYS  92           H        LYS  92   4.450  34.012 -23.586
  681    HA   LYS  92           HA       LYS  92   1.921  32.549 -23.074
  682   1HB   LYS  92          1HB       LYS  92   2.334  30.869 -24.623
  683   2HB   LYS  92          2HB       LYS  92   2.736  32.351 -25.477
  684   1HG   LYS  92          1HG       LYS  92   5.196  31.892 -24.886
  685   2HG   LYS  92          2HG       LYS  92   4.654  30.302 -24.319
  686   1HD   LYS  92          1HD       LYS  92   3.579  30.047 -26.688
  687   2HD   LYS  92          2HD       LYS  92   4.523  31.458 -27.127
  688   1HE   LYS  92          HE2       LYS  92   5.774  29.546 -27.814
  689   2HE   LYS  92          HE3       LYS  92   6.607  30.241 -26.422
  690   1HZ   LYS  92          HZ1       LYS  92   5.548  28.494 -25.045
  691   2HZ   LYS  92          HZ2       LYS  92   4.834  27.837 -26.347
  692   3HZ   LYS  92          HZ3       LYS  92   6.449  27.824 -26.228
  693    H    HIS  93           H        HIS  93   2.245  30.354 -22.275
  694    HA   HIS  93           HA       HIS  93   4.829  29.692 -21.022
  695   1HB   HIS  93          1HB       HIS  93   3.582  30.822 -19.229
  696   2HB   HIS  93          2HB       HIS  93   2.183  29.796 -19.534
  697    HD1  HIS  93           HD1      HIS  93   2.248  27.367 -18.385
  698    HD2  HIS  93           HD2      HIS  93   5.774  29.656 -18.063
  699    HE1  HIS  93           HE1      HIS  93   3.740  26.181 -16.690
  700    H    GLN  94           H        GLN  94   5.067  27.412 -20.751
  701    HA   GLN  94           HA       GLN  94   3.349  25.813 -22.561
  702   1HB   GLN  94          1HB       GLN  94   5.999  26.114 -22.645
  703   2HB   GLN  94          2HB       GLN  94   5.985  24.913 -21.365
  704   1HG   GLN  94          1HG       GLN  94   6.266  23.753 -23.429
  705   2HG   GLN  94          2HG       GLN  94   4.620  23.421 -22.885
  706   1HE2  GLN  94          2HE2      GLN  94   3.698  22.980 -24.912
  707   2HE2  GLN  94          1HE2      GLN  94   3.717  24.147 -26.233
  708    H    TRP  95           H        TRP  95   1.621  24.832 -21.462
  709    HA   TRP  95           HA       TRP  95   2.115  23.998 -18.640
  710   1HB   TRP  95          1HB       TRP  95   0.434  25.708 -18.847
  711   2HB   TRP  95          2HB       TRP  95  -0.421  24.774 -20.078
  712    HD1  TRP  95           HD1      TRP  95  -2.282  23.317 -19.283
  713    HE1  TRP  95           HE1      TRP  95  -3.063  22.256 -17.024
  714    HE3  TRP  95           HE3      TRP  95   1.638  24.703 -16.276
  715    HZ2  TRP  95           HZ2      TRP  95  -2.024  21.865 -14.441
  716    HZ3  TRP  95           HZ3      TRP  95   1.786  23.831 -13.972
  717    HH2  TRP  95           HH2      TRP  95  -0.027  22.397 -13.042
  718    H    PHE  96           H        PHE  96   1.964  21.982 -18.041
  719    HA   PHE  96           HA       PHE  96   1.240  19.899 -20.039
  720   1HB   PHE  96          1HB       PHE  96   2.997  19.646 -17.577
  721   2HB   PHE  96          2HB       PHE  96   2.805  18.482 -18.884
  722    HD1  PHE  96           HD1      PHE  96   3.300  19.584 -21.355
  723    HD2  PHE  96           HD2      PHE  96   4.902  21.023 -17.614
  724    HE1  PHE  96           HE1      PHE  96   5.098  20.759 -22.575
  725    HE2  PHE  96           HE2      PHE  96   6.707  22.190 -18.843
  726    HZ   PHE  96           HZ       PHE  96   6.820  22.054 -21.322
  727    H    GLN  97           H        GLN  97  -0.950  19.786 -19.731
  728    HA   GLN  97           HA       GLN  97  -2.121  20.230 -17.161
  729   1HB   GLN  97          1HB       GLN  97  -3.239  20.950 -19.186
  730   2HB   GLN  97          2HB       GLN  97  -3.258  19.318 -19.815
  731   1HG   GLN  97          1HG       GLN  97  -5.460  19.986 -19.131
  732   2HG   GLN  97          2HG       GLN  97  -4.933  18.629 -18.150
  733   1HE2  GLN  97          2HE2      GLN  97  -7.066  19.804 -17.144
  734   2HE2  GLN  97          1HE2      GLN  97  -6.532  20.629 -15.674
  735    H    LYS  98           H        LYS  98  -2.762  19.010 -15.622
  736    HA   LYS  98           HA       LYS  98  -3.073  16.060 -15.913
  737   1HB   LYS  98          1HB       LYS  98  -1.398  16.230 -14.309
  738   2HB   LYS  98          2HB       LYS  98  -1.965  17.781 -13.716
  739   1HG   LYS  98          1HG       LYS  98  -2.258  16.205 -11.979
  740   2HG   LYS  98          2HG       LYS  98  -3.827  16.721 -12.552
  741   1HD   LYS  98          1HD       LYS  98  -3.936  14.501 -13.876
  742   2HD   LYS  98          2HD       LYS  98  -2.446  14.054 -13.043
  743   1HE   LYS  98          HE2       LYS  98  -4.265  13.074 -11.822
  744   2HE   LYS  98          HE3       LYS  98  -3.640  14.413 -10.840
  745   1HZ   LYS  98          HZ1       LYS  98  -5.499  15.777 -11.623
  746   2HZ   LYS  98          HZ2       LYS  98  -6.054  14.530 -12.587
  747   3HZ   LYS  98          HZ3       LYS  98  -6.097  14.453 -10.951
  748    H    GLY  99           H        GLY  99  -5.050  15.343 -15.693
  749   1HA   GLY  99          1HA       GLY  99  -7.119  16.539 -14.044
  750   2HA   GLY  99          2HA       GLY  99  -7.488  16.540 -15.782
  Start of MODEL   11
    1   1H    ILE   1           H1       ILE   1 -10.214  45.352  -9.547
    2   2H    ILE   1           H2       ILE   1 -10.965  46.703  -8.952
    3   3H    ILE   1           H3       ILE   1  -9.839  45.975  -8.046
    4    HA   ILE   1           HA       ILE   1 -11.152  44.024  -7.739
    5    HB   ILE   1           HB       ILE   1 -12.776  46.539  -7.235
    6   1HG1  ILE   1          2HG1      ILE   1 -10.650  46.631  -6.075
    7   2HG1  ILE   1          3HG1      ILE   1 -11.951  46.366  -4.934
    8   1HG2  ILE   1          1HG2      ILE   1 -14.334  44.696  -7.119
    9   2HG2  ILE   1          2HG2      ILE   1 -13.193  43.703  -6.190
   10   3HG2  ILE   1          3HG2      ILE   1 -13.924  45.150  -5.471
   11   1HD1  ILE   1          1HD1      ILE   1 -10.008  44.231  -5.924
   12   2HD1  ILE   1          2HD1      ILE   1 -10.008  45.022  -4.340
   13   3HD1  ILE   1          3HD1      ILE   1 -11.345  43.953  -4.778
   14    H    SER   2           H        SER   2 -13.492  46.274  -9.407
   15    HA   SER   2           HA       SER   2 -15.272  44.355 -10.080
   16   1HB   SER   2          1HB       SER   2 -14.614  46.885 -11.635
   17   2HB   SER   2          2HB       SER   2 -16.142  45.974 -11.709
   18    HG   SER   2           HG       SER   2 -16.380  47.602 -10.189
   19    H    LYS   3           H        LYS   3 -15.868  43.153 -11.862
   20    HA   LYS   3           HA       LYS   3 -13.632  42.318 -13.640
   21   1HB   LYS   3          1HB       LYS   3 -16.122  40.837 -12.737
   22   2HB   LYS   3          2HB       LYS   3 -14.870  40.162 -13.767
   23   1HG   LYS   3          1HG       LYS   3 -14.218  41.163 -10.953
   24   2HG   LYS   3          2HG       LYS   3 -14.952  39.599 -11.230
   25   1HD   LYS   3          1HD       LYS   3 -12.614  39.239 -10.996
   26   2HD   LYS   3          2HD       LYS   3 -13.077  38.904 -12.657
   27   1HE   LYS   3          HE2       LYS   3 -10.980  40.028 -12.715
   28   2HE   LYS   3          HE3       LYS   3 -12.195  41.121 -13.348
   29   1HZ   LYS   3          HZ1       LYS   3 -12.189  42.201 -11.062
   30   2HZ   LYS   3          HZ2       LYS   3 -10.916  41.255 -10.679
   31   3HZ   LYS   3          HZ3       LYS   3 -10.804  42.356 -11.909
   32    H    GLY   4           H        GLY   4 -13.754  43.568 -15.348
   33   1HA   GLY   4          1HA       GLY   4 -16.212  44.525 -16.520
   34   2HA   GLY   4          2HA       GLY   4 -14.597  44.773 -17.138
   35    H    LEU   5           H        LEU   5 -17.275  42.552 -17.090
   36    HA   LEU   5           HA       LEU   5 -16.709  40.902 -19.331
   37   1HB   LEU   5          1HB       LEU   5 -19.302  42.178 -18.386
   38   2HB   LEU   5          2HB       LEU   5 -19.232  40.889 -19.576
   39    HG   LEU   5           HG       LEU   5 -17.976  40.443 -16.845
   40   1HD1  LEU   5          1HD1      LEU   5 -20.129  39.558 -16.045
   41   2HD1  LEU   5          2HD1      LEU   5 -20.214  41.295 -16.369
   42   3HD1  LEU   5          3HD1      LEU   5 -20.928  40.145 -17.523
   43   1HD2  LEU   5          1HD2      LEU   5 -18.556  38.116 -17.306
   44   2HD2  LEU   5          2HD2      LEU   5 -19.398  38.580 -18.797
   45   3HD2  LEU   5          3HD2      LEU   5 -17.638  38.771 -18.676
   46    H    THR   6           H        THR   6 -17.314  44.351 -19.279
   47    HA   THR   6           HA       THR   6 -18.097  44.497 -22.117
   48    HB   THR   6           HB       THR   6 -18.628  46.866 -21.448
   49    HG1  THR   6           HG1      THR   6 -18.617  47.252 -19.204
   50   1HG2  THR   6          1HG2      THR   6 -20.588  46.334 -20.094
   51   2HG2  THR   6          2HG2      THR   6 -20.371  45.092 -21.339
   52   3HG2  THR   6          3HG2      THR   6 -19.909  44.753 -19.656
   53    H    TYR   7           H        TYR   7 -15.156  45.012 -20.299
   54    HA   TYR   7           HA       TYR   7 -14.328  47.403 -21.618
   55   1HB   TYR   7          1HB       TYR   7 -12.521  45.292 -20.408
   56   2HB   TYR   7          2HB       TYR   7 -12.139  46.986 -20.675
   57    HD1  TYR   7           HD1      TYR   7 -14.974  47.989 -19.477
   58    HD2  TYR   7           HD2      TYR   7 -11.774  45.415 -18.137
   59    HE1  TYR   7           HE1      TYR   7 -15.474  48.589 -17.138
   60    HE2  TYR   7           HE2      TYR   7 -12.268  46.049 -15.770
   61    HH   TYR   7           HH       TYR   7 -14.834  48.376 -14.941
   62    H    THR   8           H        THR   8 -12.496  47.766 -23.010
   63    HA   THR   8           HA       THR   8 -12.278  46.204 -25.407
   64    HB   THR   8           HB       THR   8 -10.230  47.776 -25.686
   65    HG1  THR   8           HG1      THR   8  -9.875  48.334 -23.556
   66   1HG2  THR   8          1HG2      THR   8 -12.949  49.063 -25.208
   67   2HG2  THR   8          2HG2      THR   8 -11.609  49.729 -26.162
   68   3HG2  THR   8          3HG2      THR   8 -12.430  48.256 -26.707
   69    H    MET   9           H        MET   9 -10.230  45.309 -26.208
   70    HA   MET   9           HA       MET   9  -9.137  43.384 -24.344
   71   1HB   MET   9          1HB       MET   9  -8.307  44.057 -27.200
   72   2HB   MET   9          2HB       MET   9  -7.855  42.607 -26.293
   73   1HG   MET   9          1HG       MET   9 -10.666  43.386 -27.166
   74   2HG   MET   9          2HG       MET   9  -9.654  42.136 -27.875
   75   1HE   MET   9          1HE       MET   9 -12.528  40.055 -26.282
   76   2HE   MET   9          2HE       MET   9 -12.710  41.697 -26.943
   77   3HE   MET   9          3HE       MET   9 -11.663  40.515 -27.766
   78    H    CYS  10           H        CYS  10  -7.117  43.248 -23.437
   79    HA   CYS  10           HA       CYS  10  -5.443  45.624 -23.223
   80   1HB   CYS  10          1HB       CYS  10  -4.810  42.756 -22.591
   81   2HB   CYS  10          2HB       CYS  10  -3.991  44.136 -21.930
   82    H    ASP  11           H        ASP  11  -3.357  45.946 -24.085
   83    HA   ASP  11           HA       ASP  11  -2.563  45.063 -26.631
   84   1HB   ASP  11          1HB       ASP  11  -1.820  47.133 -25.561
   85   2HB   ASP  11          2HB       ASP  11  -0.914  46.228 -24.358
   86    H    LYS  12           H        LYS  12  -2.041  43.110 -27.244
   87    HA   LYS  12           HA       LYS  12  -1.459  40.905 -25.638
   88   1HB   LYS  12          1HB       LYS  12  -0.741  41.297 -28.576
   89   2HB   LYS  12          2HB       LYS  12  -0.875  39.753 -27.746
   90   1HG   LYS  12          1HG       LYS  12  -3.338  40.369 -27.259
   91   2HG   LYS  12          2HG       LYS  12  -3.106  41.717 -28.382
   92   1HD   LYS  12          1HD       LYS  12  -3.985  40.061 -29.785
   93   2HD   LYS  12          2HD       LYS  12  -2.241  39.913 -30.055
   94   1HE   LYS  12          HE2       LYS  12  -2.336  38.149 -28.136
   95   2HE   LYS  12          HE3       LYS  12  -4.088  38.131 -28.409
   96   1HZ   LYS  12          HZ1       LYS  12  -2.886  36.420 -29.688
   97   2HZ   LYS  12          HZ2       LYS  12  -3.522  37.527 -30.759
   98   3HZ   LYS  12          HZ3       LYS  12  -1.915  37.539 -30.333
   99    H    ALA  13           H        ALA  13   0.836  43.362 -26.385
  100    HA   ALA  13           HA       ALA  13   3.133  41.514 -25.859
  101   1HB   ALA  13          1HB       ALA  13   3.091  42.546 -28.091
  102   2HB   ALA  13          2HB       ALA  13   3.020  44.163 -27.349
  103   3HB   ALA  13          3HB       ALA  13   4.457  43.142 -27.127
  104    H    LYS  14           H        LYS  14   1.344  43.961 -24.278
  105    HA   LYS  14           HA       LYS  14   3.722  44.957 -22.745
  106   1HB   LYS  14          1HB       LYS  14   0.823  45.799 -22.580
  107   2HB   LYS  14          2HB       LYS  14   2.144  46.568 -21.733
  108   1HG   LYS  14          1HG       LYS  14   1.998  46.403 -24.737
  109   2HG   LYS  14          2HG       LYS  14   1.253  47.710 -23.801
  110   1HD   LYS  14          1HD       LYS  14   3.572  48.214 -22.890
  111   2HD   LYS  14          2HD       LYS  14   4.210  47.052 -24.069
  112   1HE   LYS  14          HE2       LYS  14   2.645  49.614 -24.613
  113   2HE   LYS  14          HE3       LYS  14   4.345  49.312 -24.984
  114   1HZ   LYS  14          HZ1       LYS  14   3.556  47.584 -26.571
  115   2HZ   LYS  14          HZ2       LYS  14   1.995  47.977 -26.269
  116   3HZ   LYS  14          HZ3       LYS  14   2.980  49.081 -26.963
  117    H    PHE  15           H        PHE  15   2.159  42.216 -22.487
  118    HA   PHE  15           HA       PHE  15   1.426  42.229 -19.639
  119   1HB   PHE  15          1HB       PHE  15   1.355  40.201 -21.887
  120   2HB   PHE  15          2HB       PHE  15   1.147  39.692 -20.219
  121    HD1  PHE  15           HD1      PHE  15  -0.564  40.855 -18.739
  122    HD2  PHE  15           HD2      PHE  15  -0.547  41.108 -23.051
  123    HE1  PHE  15           HE1      PHE  15  -3.002  41.321 -18.721
  124    HE2  PHE  15           HE2      PHE  15  -2.954  41.607 -23.032
  125    HZ   PHE  15           HZ       PHE  15  -4.199  41.630 -20.834
  126    H    THR  16           H        THR  16   2.173  40.805 -18.114
  127    HA   THR  16           HA       THR  16   4.764  39.420 -18.421
  128    HB   THR  16           HB       THR  16   5.411  40.367 -16.129
  129    HG1  THR  16           HG1      THR  16   3.176  41.891 -16.692
  130   1HG2  THR  16          1HG2      THR  16   6.581  41.000 -18.215
  131   2HG2  THR  16          2HG2      THR  16   5.436  42.341 -18.443
  132   3HG2  THR  16          3HG2      THR  16   6.513  42.324 -17.035
  133    H    TRP  17           H        TRP  17   4.865  37.572 -17.192
  134    HA   TRP  17           HA       TRP  17   2.513  36.539 -15.879
  135   1HB   TRP  17          1HB       TRP  17   5.378  35.580 -16.130
  136   2HB   TRP  17          2HB       TRP  17   4.172  34.723 -15.182
  137    HD1  TRP  17           HD1      TRP  17   5.632  34.491 -18.431
  138    HE1  TRP  17           HE1      TRP  17   4.139  33.209 -20.107
  139    HE3  TRP  17           HE3      TRP  17   1.214  34.601 -15.834
  140    HZ2  TRP  17           HZ2      TRP  17   1.341  32.532 -20.362
  141    HZ3  TRP  17           HZ3      TRP  17  -0.844  33.692 -16.845
  142    HH2  TRP  17           HH2      TRP  17  -0.798  32.638 -19.092
  143    H    LYS  18           H        LYS  18   1.808  37.272 -14.014
  144    HA   LYS  18           HA       LYS  18   3.589  38.223 -11.833
  145   1HB   LYS  18          1HB       LYS  18   1.241  39.198 -12.498
  146   2HB   LYS  18          2HB       LYS  18   0.587  37.784 -11.669
  147   1HG   LYS  18          1HG       LYS  18   2.100  38.594  -9.677
  148   2HG   LYS  18          2HG       LYS  18   2.178  40.116 -10.566
  149   1HD   LYS  18          1HD       LYS  18  -0.223  38.719  -9.373
  150   2HD   LYS  18          2HD       LYS  18   0.437  40.273  -8.905
  151   1HE   LYS  18          HE2       LYS  18  -0.352  41.288 -11.026
  152   2HE   LYS  18          HE3       LYS  18  -0.931  39.713 -11.571
  153   1HZ   LYS  18          HZ1       LYS  18  -2.410  39.679  -9.595
  154   2HZ   LYS  18          HZ2       LYS  18  -1.992  41.218  -9.256
  155   3HZ   LYS  18          HZ3       LYS  18  -2.807  40.891 -10.650
  156    H    ARG  19           H        ARG  19   1.521  35.543 -12.750
  157    HA   ARG  19           HA       ARG  19   2.956  33.639 -10.988
  158   1HB   ARG  19          1HB       ARG  19   0.809  34.589  -9.856
  159   2HB   ARG  19          2HB       ARG  19  -0.076  33.711 -11.108
  160   1HG   ARG  19          1HG       ARG  19   1.250  31.628 -10.255
  161   2HG   ARG  19          2HG       ARG  19   1.552  32.629  -8.823
  162   1HD   ARG  19          1HD       ARG  19  -1.133  31.783  -9.995
  163   2HD   ARG  19          2HD       ARG  19  -0.418  31.258  -8.470
  164    HE   ARG  19           HE       ARG  19  -1.125  34.173  -8.826
  165   1HH1  ARG  19          1HH1      ARG  19  -1.922  31.173  -7.182
  166   2HH1  ARG  19          2HH1      ARG  19  -3.040  31.986  -6.115
  167   1HH2  ARG  19          1HH2      ARG  19  -2.465  35.094  -7.572
  168   2HH2  ARG  19          2HH2      ARG  19  -3.365  34.235  -6.314
  169    H    ALA  20           H        ALA  20   3.759  32.313 -12.642
  170    HA   ALA  20           HA       ALA  20   2.482  32.012 -15.179
  171   1HB   ALA  20          1HB       ALA  20   4.146  30.224 -15.527
  172   2HB   ALA  20          2HB       ALA  20   4.893  31.670 -14.827
  173   3HB   ALA  20          3HB       ALA  20   4.554  30.251 -13.802
  174    HA   PRO  21           HA       PRO  21  -0.708  28.964 -14.625
  175   1HB   PRO  21          1HB       PRO  21   0.694  27.430 -16.810
  176   2HB   PRO  21          2HB       PRO  21  -1.057  27.734 -16.577
  177   1HG   PRO  21          1HG       PRO  21   0.334  29.260 -18.297
  178   2HG   PRO  21          2HG       PRO  21  -0.826  30.024 -17.186
  179   1HD   PRO  21          1HD       PRO  21   2.177  29.919 -16.930
  180   2HD   PRO  21          2HD       PRO  21   1.050  31.253 -16.578
  181    H    THR  22           H        THR  22  -0.947  27.692 -13.013
  182    HA   THR  22           HA       THR  22   0.749  25.289 -12.650
  183    HB   THR  22           HB       THR  22   1.773  26.974 -11.245
  184    HG1  THR  22           HG1      THR  22   0.258  25.368  -9.503
  185   1HG2  THR  22          1HG2      THR  22   0.656  27.991  -9.342
  186   2HG2  THR  22          2HG2      THR  22  -0.177  28.473 -10.827
  187   3HG2  THR  22          3HG2      THR  22  -0.882  27.218  -9.776
  188    H    ASP  23           H        ASP  23  -0.262  23.699 -11.217
  189    HA   ASP  23           HA       ASP  23  -3.132  23.512 -11.597
  190   1HB   ASP  23          1HB       ASP  23  -1.434  21.575 -11.456
  191   2HB   ASP  23          2HB       ASP  23  -1.521  21.780  -9.706
  192    H    SER  24           H        SER  24  -4.714  23.884 -10.141
  193    HA   SER  24           HA       SER  24  -4.289  25.672  -7.858
  194   1HB   SER  24          1HB       SER  24  -6.770  25.616  -7.836
  195   2HB   SER  24          2HB       SER  24  -6.151  25.868  -9.485
  196    HG   SER  24           HG       SER  24  -7.494  24.259  -9.860
  197    H    GLY  25           H        GLY  25  -4.591  22.208  -8.279
  198   1HA   GLY  25          1HA       GLY  25  -4.690  20.535  -6.601
  199   2HA   GLY  25          2HA       GLY  25  -5.230  21.715  -5.404
  200    H    HIS  26           H        HIS  26  -7.086  22.538  -7.995
  201    HA   HIS  26           HA       HIS  26  -9.340  20.715  -7.348
  202   1HB   HIS  26          1HB       HIS  26  -9.381  22.997  -9.317
  203   2HB   HIS  26          2HB       HIS  26 -10.733  22.242  -8.515
  204    HD1  HIS  26           HD1      HIS  26  -9.794  25.497  -8.583
  205    HD2  HIS  26           HD2      HIS  26  -9.772  22.628  -5.450
  206    HE1  HIS  26           HE1      HIS  26  -9.904  26.777  -6.392
  207    H    ASP  27           H        ASP  27  -6.725  20.347  -9.314
  208    HA   ASP  27           HA       ASP  27  -6.186  19.520 -11.324
  209   1HB   ASP  27          1HB       ASP  27  -9.019  18.405 -11.464
  210   2HB   ASP  27          2HB       ASP  27  -7.710  18.060 -12.575
  211    H    THR  28           H        THR  28  -7.065  22.182 -10.986
  212    HA   THR  28           HA       THR  28  -7.843  22.938 -13.767
  213    HB   THR  28           HB       THR  28  -8.924  24.951 -12.909
  214    HG1  THR  28           HG1      THR  28  -9.089  25.345 -10.669
  215   1HG2  THR  28          1HG2      THR  28 -10.019  22.478 -11.493
  216   2HG2  THR  28          2HG2      THR  28 -10.872  24.015 -11.684
  217   3HG2  THR  28          3HG2      THR  28 -10.448  23.047 -13.111
  218    H    VAL  29           H        VAL  29  -7.047  25.182 -14.269
  219    HA   VAL  29           HA       VAL  29  -4.219  25.371 -13.401
  220    HB   VAL  29           HB       VAL  29  -5.351  26.304 -16.057
  221   1HG1  VAL  29          1HG1      VAL  29  -2.557  25.562 -15.068
  222   2HG1  VAL  29          2HG1      VAL  29  -2.971  26.081 -16.711
  223   3HG1  VAL  29          3HG1      VAL  29  -3.153  27.209 -15.355
  224   1HG2  VAL  29          1HG2      VAL  29  -4.190  23.589 -15.356
  225   2HG2  VAL  29          2HG2      VAL  29  -5.829  23.902 -15.944
  226   3HG2  VAL  29          3HG2      VAL  29  -4.465  24.203 -17.015
  227    H    VAL  30           H        VAL  30  -3.855  27.020 -12.139
  228    HA   VAL  30           HA       VAL  30  -5.390  29.565 -12.489
  229    HB   VAL  30           HB       VAL  30  -4.478  30.264 -10.305
  230   1HG1  VAL  30          1HG1      VAL  30  -6.160  27.751 -10.343
  231   2HG1  VAL  30          2HG1      VAL  30  -5.994  28.822  -8.938
  232   3HG1  VAL  30          3HG1      VAL  30  -6.720  29.425 -10.433
  233   1HG2  VAL  30          1HG2      VAL  30  -3.614  28.589  -8.717
  234   2HG2  VAL  30          2HG2      VAL  30  -3.541  27.381 -10.012
  235   3HG2  VAL  30          3HG2      VAL  30  -2.520  28.838 -10.082
  236    H    MET  31           H        MET  31  -4.353  31.450 -12.866
  237    HA   MET  31           HA       MET  31  -1.456  31.651 -12.808
  238   1HB   MET  31          1HB       MET  31  -1.041  32.088 -15.134
  239   2HB   MET  31          2HB       MET  31  -1.909  30.564 -15.044
  240   1HG   MET  31          1HG       MET  31  -4.012  32.114 -15.283
  241   2HG   MET  31          2HG       MET  31  -2.862  33.211 -16.045
  242   1HE   MET  31          1HE       MET  31  -5.206  30.160 -16.253
  243   2HE   MET  31          2HE       MET  31  -4.397  29.074 -17.406
  244   3HE   MET  31          3HE       MET  31  -3.670  29.396 -15.820
  245    H    GLU  32           H        GLU  32  -0.777  33.902 -13.489
  246    HA   GLU  32           HA       GLU  32  -2.900  35.935 -13.260
  247   1HB   GLU  32          1HB       GLU  32  -2.147  34.942 -10.956
  248   2HB   GLU  32          2HB       GLU  32  -0.665  35.875 -11.216
  249   1HG   GLU  32          1HG       GLU  32  -1.945  37.937 -11.335
  250   2HG   GLU  32          2HG       GLU  32  -3.454  37.049 -11.193
  251    H    VAL  33           H        VAL  33  -2.261  37.978 -13.901
  252    HA   VAL  33           HA       VAL  33   0.548  38.325 -14.850
  253    HB   VAL  33           HB       VAL  33  -0.332  39.409 -16.898
  254   1HG1  VAL  33          1HG1      VAL  33  -0.523  37.386 -18.098
  255   2HG1  VAL  33          2HG1      VAL  33   0.531  37.046 -16.745
  256   3HG1  VAL  33          3HG1      VAL  33  -1.156  36.501 -16.685
  257   1HG2  VAL  33          1HG2      VAL  33  -2.994  38.130 -16.138
  258   2HG2  VAL  33          2HG2      VAL  33  -2.656  39.874 -16.169
  259   3HG2  VAL  33          3HG2      VAL  33  -2.614  38.934 -17.663
  260    H    ALA  34           H        ALA  34   1.278  40.337 -15.260
  261    HA   ALA  34           HA       ALA  34  -0.285  42.630 -14.203
  262   1HB   ALA  34          1HB       ALA  34   1.837  43.717 -13.577
  263   2HB   ALA  34          2HB       ALA  34   1.600  42.204 -12.680
  264   3HB   ALA  34          3HB       ALA  34   2.733  42.257 -14.042
  265    H    PHE  35           H        PHE  35  -0.156  44.507 -15.488
  266    HA   PHE  35           HA       PHE  35   0.557  43.961 -18.333
  267   1HB   PHE  35          1HB       PHE  35  -1.761  43.308 -17.882
  268   2HB   PHE  35          2HB       PHE  35  -2.074  44.867 -17.123
  269    HD1  PHE  35           HD1      PHE  35  -0.485  43.792 -20.388
  270    HD2  PHE  35           HD2      PHE  35  -3.521  46.164 -18.441
  271    HE1  PHE  35           HE1      PHE  35  -1.064  44.849 -22.528
  272    HE2  PHE  35           HE2      PHE  35  -4.028  47.252 -20.624
  273    HZ   PHE  35           HZ       PHE  35  -2.760  46.681 -22.616
  274    H    SER  36           H        SER  36   1.782  45.526 -19.135
  275    HA   SER  36           HA       SER  36   1.969  48.136 -17.794
  276   1HB   SER  36          1HB       SER  36   3.554  46.902 -20.075
  277   2HB   SER  36          2HB       SER  36   3.906  48.454 -19.294
  278    HG   SER  36           HG       SER  36   3.873  45.891 -18.074
  279    H    GLY  37           H        GLY  37  -0.159  47.139 -20.139
  280   1HA   GLY  37          1HA       GLY  37  -0.078  49.650 -21.725
  281   2HA   GLY  37          2HA       GLY  37  -1.124  48.274 -22.007
  282    H    THR  38           H        THR  38  -3.009  49.548 -22.090
  283    HA   THR  38           HA       THR  38  -3.870  51.630 -20.458
  284    HB   THR  38           HB       THR  38  -6.215  50.682 -21.175
  285    HG1  THR  38           HG1      THR  38  -6.061  49.218 -22.871
  286   1HG2  THR  38          1HG2      THR  38  -4.172  51.405 -23.309
  287   2HG2  THR  38          2HG2      THR  38  -5.942  51.478 -23.466
  288   3HG2  THR  38          3HG2      THR  38  -5.115  52.551 -22.327
  289    H    LYS  39           H        LYS  39  -5.619  51.753 -18.929
  290    HA   LYS  39           HA       LYS  39  -6.685  49.265 -17.894
  291   1HB   LYS  39          1HB       LYS  39  -6.019  51.527 -15.971
  292   2HB   LYS  39          2HB       LYS  39  -6.845  50.021 -15.581
  293   1HG   LYS  39          1HG       LYS  39  -3.951  50.302 -16.450
  294   2HG   LYS  39          2HG       LYS  39  -4.494  50.109 -14.795
  295   1HD   LYS  39          1HD       LYS  39  -5.183  47.865 -15.102
  296   2HD   LYS  39          2HD       LYS  39  -5.168  47.959 -16.841
  297   1HE   LYS  39          HE2       LYS  39  -2.744  48.049 -14.993
  298   2HE   LYS  39          HE3       LYS  39  -3.258  46.696 -16.005
  299   1HZ   LYS  39          HZ1       LYS  39  -2.976  48.274 -17.946
  300   2HZ   LYS  39          HZ2       LYS  39  -2.211  49.296 -16.966
  301   3HZ   LYS  39          HZ3       LYS  39  -1.557  47.810 -17.181
  302    HA   PRO  40           HA       PRO  40  -8.657  48.675 -16.963
  303   1HB   PRO  40          1HB       PRO  40 -11.113  48.065 -17.779
  304   2HB   PRO  40          2HB       PRO  40 -10.904  49.245 -16.454
  305   1HG   PRO  40          1HG       PRO  40 -11.363  49.791 -19.417
  306   2HG   PRO  40          2HG       PRO  40 -12.260  50.480 -18.029
  307   1HD   PRO  40          1HD       PRO  40 -10.126  51.755 -19.220
  308   2HD   PRO  40          2HD       PRO  40 -10.471  51.915 -17.473
  309    H    CYS  41           H        CYS  41  -8.816  46.549 -18.101
  310    HA   CYS  41           HA       CYS  41  -9.748  46.522 -20.828
  311   1HB   CYS  41          1HB       CYS  41  -7.751  45.612 -21.898
  312   2HB   CYS  41          2HB       CYS  41  -7.427  47.211 -21.258
  313    H    ARG  42           H        ARG  42  -9.863  44.391 -21.735
  314    HA   ARG  42           HA       ARG  42 -10.219  42.141 -19.819
  315   1HB   ARG  42          1HB       ARG  42 -11.969  42.789 -21.532
  316   2HB   ARG  42          2HB       ARG  42 -10.817  42.325 -22.795
  317   1HG   ARG  42          1HG       ARG  42 -10.744  39.989 -21.596
  318   2HG   ARG  42          2HG       ARG  42 -12.149  40.567 -20.703
  319   1HD   ARG  42          1HD       ARG  42 -11.842  40.006 -23.660
  320   2HD   ARG  42          2HD       ARG  42 -13.025  39.332 -22.552
  321    HE   ARG  42           HE       ARG  42 -12.997  42.103 -23.697
  322   1HH1  ARG  42          1HH1      ARG  42 -14.985  39.699 -21.934
  323   2HH1  ARG  42          2HH1      ARG  42 -16.334  40.844 -21.986
  324   1HH2  ARG  42          1HH2      ARG  42 -14.691  43.469 -23.322
  325   2HH2  ARG  42          2HH2      ARG  42 -16.197  42.744 -22.716
  326    H    ILE  43           H        ILE  43  -8.852  40.508 -19.704
  327    HA   ILE  43           HA       ILE  43  -6.279  40.762 -21.003
  328    HB   ILE  43           HB       ILE  43  -7.336  38.717 -19.038
  329   1HG1  ILE  43          2HG1      ILE  43  -5.469  41.122 -18.695
  330   2HG1  ILE  43          3HG1      ILE  43  -7.167  41.150 -18.261
  331   1HG2  ILE  43          1HG2      ILE  43  -4.443  39.298 -19.788
  332   2HG2  ILE  43          2HG2      ILE  43  -5.047  37.980 -18.771
  333   3HG2  ILE  43          3HG2      ILE  43  -5.358  37.974 -20.506
  334   1HD1  ILE  43          1HD1      ILE  43  -5.629  40.866 -16.359
  335   2HD1  ILE  43          2HD1      ILE  43  -6.870  39.613 -16.466
  336   3HD1  ILE  43          3HD1      ILE  43  -5.196  39.253 -16.944
  337    HA   PRO  44           HA       PRO  44  -7.681  38.243 -24.486
  338   1HB   PRO  44          1HB       PRO  44  -5.486  38.435 -26.084
  339   2HB   PRO  44          2HB       PRO  44  -6.548  39.834 -25.744
  340   1HG   PRO  44          1HG       PRO  44  -3.931  39.138 -24.389
  341   2HG   PRO  44          2HG       PRO  44  -4.452  40.716 -25.033
  342   1HD   PRO  44          1HD       PRO  44  -4.662  39.941 -22.398
  343   2HD   PRO  44          2HD       PRO  44  -5.810  41.092 -23.173
  344    H    VAL  45           H        VAL  45  -7.756  36.550 -22.932
  345    HA   VAL  45           HA       VAL  45  -5.430  34.759 -22.690
  346    HB   VAL  45           HB       VAL  45  -7.618  35.728 -20.978
  347   1HG1  VAL  45          1HG1      VAL  45  -6.887  32.807 -20.674
  348   2HG1  VAL  45          2HG1      VAL  45  -7.736  33.800 -19.471
  349   3HG1  VAL  45          3HG1      VAL  45  -8.507  33.467 -21.022
  350   1HG2  VAL  45          1HG2      VAL  45  -5.934  35.821 -19.465
  351   2HG2  VAL  45          2HG2      VAL  45  -5.107  34.348 -20.063
  352   3HG2  VAL  45          3HG2      VAL  45  -4.975  35.877 -20.934
  353    H    ARG  46           H        ARG  46  -5.284  32.791 -23.244
  354    HA   ARG  46           HA       ARG  46  -7.546  31.098 -23.986
  355   1HB   ARG  46          1HB       ARG  46  -6.708  30.681 -26.305
  356   2HB   ARG  46          2HB       ARG  46  -7.294  32.335 -26.085
  357   1HG   ARG  46          1HG       ARG  46  -4.931  33.077 -25.740
  358   2HG   ARG  46          2HG       ARG  46  -4.390  31.419 -26.074
  359   1HD   ARG  46          1HD       ARG  46  -5.005  31.575 -28.359
  360   2HD   ARG  46          2HD       ARG  46  -5.959  33.048 -28.080
  361    HE   ARG  46           HE       ARG  46  -3.680  33.998 -27.254
  362   1HH1  ARG  46          1HH1      ARG  46  -3.807  31.916 -30.153
  363   2HH1  ARG  46          2HH1      ARG  46  -2.397  32.727 -30.779
  364   1HH2  ARG  46          1HH2      ARG  46  -1.895  34.816 -28.064
  365   2HH2  ARG  46          2HH2      ARG  46  -1.394  34.537 -29.675
  366    H    ALA  47           H        ALA  47  -6.869  28.936 -24.379
  367    HA   ALA  47           HA       ALA  47  -3.997  28.275 -23.847
  368   1HB   ALA  47          1HB       ALA  47  -4.789  26.202 -22.793
  369   2HB   ALA  47          2HB       ALA  47  -5.288  27.639 -21.858
  370   3HB   ALA  47          3HB       ALA  47  -6.466  26.776 -22.874
  371    H    VAL  48           H        VAL  48  -3.142  27.259 -25.619
  372    HA   VAL  48           HA       VAL  48  -5.112  26.064 -27.552
  373    HB   VAL  48           HB       VAL  48  -4.019  27.053 -29.362
  374   1HG1  VAL  48          1HG1      VAL  48  -4.508  29.385 -29.036
  375   2HG1  VAL  48          2HG1      VAL  48  -5.676  28.444 -28.108
  376   3HG1  VAL  48          3HG1      VAL  48  -4.325  29.248 -27.280
  377   1HG2  VAL  48          1HG2      VAL  48  -2.172  28.767 -29.025
  378   2HG2  VAL  48          2HG2      VAL  48  -1.976  28.132 -27.389
  379   3HG2  VAL  48          3HG2      VAL  48  -1.683  27.077 -28.787
  380    H    ALA  49           H        ALA  49  -4.759  24.047 -28.172
  381    HA   ALA  49           HA       ALA  49  -2.721  22.650 -26.674
  382   1HB   ALA  49          1HB       ALA  49  -3.829  20.633 -27.521
  383   2HB   ALA  49          2HB       ALA  49  -4.985  21.799 -26.871
  384   3HB   ALA  49          3HB       ALA  49  -4.801  21.624 -28.637
  385    H    HIS  50           H        HIS  50  -1.303  21.047 -27.463
  386    HA   HIS  50           HA       HIS  50   0.737  21.829 -28.951
  387   1HB   HIS  50          1HB       HIS  50   0.551  19.788 -27.538
  388   2HB   HIS  50          2HB       HIS  50  -0.170  18.934 -28.902
  389    HD1  HIS  50           HD1      HIS  50   3.131  20.194 -27.559
  390    HD2  HIS  50           HD2      HIS  50   1.523  18.539 -31.101
  391    HE1  HIS  50           HE1      HIS  50   5.126  19.470 -29.033
  392    H    GLY  51           H        GLY  51   0.683  22.805 -30.859
  393   1HA   GLY  51          1HA       GLY  51   1.253  22.415 -33.173
  394   2HA   GLY  51          2HA       GLY  51  -0.007  21.199 -33.277
  395    H    ALA  52           H        ALA  52  -1.832  23.370 -31.744
  396    HA   ALA  52           HA       ALA  52  -2.538  24.824 -34.279
  397   1HB   ALA  52          1HB       ALA  52  -4.853  24.166 -33.926
  398   2HB   ALA  52          2HB       ALA  52  -3.786  22.763 -34.138
  399   3HB   ALA  52          3HB       ALA  52  -4.375  23.193 -32.514
  400    HA   PRO  53           HA       PRO  53  -2.683  27.891 -30.911
  401   1HB   PRO  53          1HB       PRO  53  -1.682  30.070 -32.160
  402   2HB   PRO  53          2HB       PRO  53  -0.650  28.682 -31.695
  403   1HG   PRO  53          1HG       PRO  53  -1.932  29.221 -34.399
  404   2HG   PRO  53          2HG       PRO  53  -0.214  28.836 -34.053
  405   1HD   PRO  53          1HD       PRO  53  -2.052  26.935 -34.799
  406   2HD   PRO  53          2HD       PRO  53  -0.706  26.561 -33.681
  407    H    ASP  54           H        ASP  54  -4.448  27.744 -33.825
  408    HA   ASP  54           HA       ASP  54  -6.042  30.083 -33.715
  409   1HB   ASP  54          1HB       ASP  54  -6.993  27.417 -34.794
  410   2HB   ASP  54          2HB       ASP  54  -7.264  29.028 -35.437
  411    H    VAL  55           H        VAL  55  -6.243  27.032 -32.007
  412    HA   VAL  55           HA       VAL  55  -9.132  27.417 -31.395
  413    HB   VAL  55           HB       VAL  55  -7.489  24.858 -31.328
  414   1HG1  VAL  55          1HG1      VAL  55 -10.499  25.350 -31.097
  415   2HG1  VAL  55          2HG1      VAL  55  -9.708  23.761 -31.190
  416   3HG1  VAL  55          3HG1      VAL  55  -9.433  24.793 -29.787
  417   1HG2  VAL  55          1HG2      VAL  55  -8.914  24.293 -33.353
  418   2HG2  VAL  55          2HG2      VAL  55  -9.396  26.005 -33.412
  419   3HG2  VAL  55          3HG2      VAL  55  -7.694  25.535 -33.628
  420    H    ASP  56           H        ASP  56  -9.314  28.545 -29.569
  421    HA   ASP  56           HA       ASP  56  -7.718  28.064 -27.210
  422   1HB   ASP  56          1HB       ASP  56  -8.784  30.232 -27.649
  423   2HB   ASP  56          2HB       ASP  56 -10.381  29.492 -27.462
  424    H    VAL  57           H        VAL  57  -7.767  26.269 -26.186
  425    HA   VAL  57           HA       VAL  57 -10.161  24.554 -25.895
  426    HB   VAL  57           HB       VAL  57  -8.705  22.879 -25.037
  427   1HG1  VAL  57          1HG1      VAL  57  -8.829  23.139 -27.506
  428   2HG1  VAL  57          2HG1      VAL  57  -7.342  24.105 -27.465
  429   3HG1  VAL  57          3HG1      VAL  57  -7.309  22.406 -26.957
  430   1HG2  VAL  57          1HG2      VAL  57  -6.478  22.998 -24.497
  431   2HG2  VAL  57          2HG2      VAL  57  -6.167  24.446 -25.437
  432   3HG2  VAL  57          3HG2      VAL  57  -7.023  24.560 -23.884
  433    H    ALA  58           H        ALA  58  -9.077  27.261 -24.221
  434    HA   ALA  58           HA       ALA  58  -9.072  26.306 -21.522
  435   1HB   ALA  58          1HB       ALA  58  -9.694  29.072 -22.645
  436   2HB   ALA  58          2HB       ALA  58  -9.309  28.695 -20.958
  437   3HB   ALA  58          3HB       ALA  58  -8.080  28.460 -22.217
  438    H    MET  59           H        MET  59 -10.652  25.857 -20.118
  439    HA   MET  59           HA       MET  59 -13.425  26.907 -20.578
  440   1HB   MET  59          1HB       MET  59 -13.186  24.461 -20.718
  441   2HB   MET  59          2HB       MET  59 -12.460  24.424 -19.106
  442   1HG   MET  59          1HG       MET  59 -14.518  25.160 -18.081
  443   2HG   MET  59          2HG       MET  59 -15.235  25.521 -19.655
  444   1HE   MET  59          1HE       MET  59 -13.101  22.221 -18.855
  445   2HE   MET  59          2HE       MET  59 -13.907  22.593 -17.310
  446   3HE   MET  59          3HE       MET  59 -14.386  21.163 -18.248
  447    H    LEU  60           H        LEU  60 -13.219  28.907 -19.501
  448    HA   LEU  60           HA       LEU  60 -11.630  29.300 -17.199
  449   1HB   LEU  60          1HB       LEU  60 -14.018  31.029 -17.869
  450   2HB   LEU  60          2HB       LEU  60 -12.605  31.406 -16.905
  451    HG   LEU  60           HG       LEU  60 -11.402  30.765 -19.310
  452   1HD1  LEU  60          1HD1      LEU  60 -13.652  30.643 -20.429
  453   2HD1  LEU  60          2HD1      LEU  60 -13.961  32.317 -19.929
  454   3HD1  LEU  60          3HD1      LEU  60 -12.645  31.952 -21.066
  455   1HD2  LEU  60          1HD2      LEU  60 -12.379  33.484 -18.348
  456   2HD2  LEU  60          2HD2      LEU  60 -10.843  32.698 -17.927
  457   3HD2  LEU  60          3HD2      LEU  60 -11.138  33.215 -19.597
  458    H    ILE  61           H        ILE  61 -11.855  28.941 -15.148
  459    HA   ILE  61           HA       ILE  61 -14.401  27.889 -13.987
  460    HB   ILE  61           HB       ILE  61 -11.533  27.752 -13.032
  461   1HG1  ILE  61          2HG1      ILE  61 -11.617  26.341 -14.917
  462   2HG1  ILE  61          3HG1      ILE  61 -11.686  25.296 -13.525
  463   1HG2  ILE  61          1HG2      ILE  61 -12.998  27.625 -11.095
  464   2HG2  ILE  61          2HG2      ILE  61 -13.959  26.345 -11.864
  465   3HG2  ILE  61          3HG2      ILE  61 -12.266  26.062 -11.399
  466   1HD1  ILE  61          1HD1      ILE  61 -14.210  25.130 -13.883
  467   2HD1  ILE  61          2HD1      ILE  61 -13.969  26.028 -15.402
  468   3HD1  ILE  61          3HD1      ILE  61 -13.210  24.449 -15.180
  469    H    THR  62           H        THR  62 -12.301  30.610 -14.052
  470    HA   THR  62           HA       THR  62 -13.951  31.969 -11.966
  471    HB   THR  62           HB       THR  62 -11.288  31.711 -11.810
  472    HG1  THR  62           HG1      THR  62 -12.395  32.655 -10.246
  473   1HG2  THR  62          1HG2      THR  62 -11.523  34.387 -13.233
  474   2HG2  THR  62          2HG2      THR  62 -10.089  33.651 -12.527
  475   3HG2  THR  62          3HG2      THR  62 -10.853  32.920 -13.970
  476    HA   PRO  63           HA       PRO  63 -15.656  34.621 -15.049
  477   1HB   PRO  63          1HB       PRO  63 -14.272  37.065 -13.933
  478   2HB   PRO  63          2HB       PRO  63 -15.998  36.849 -14.355
  479   1HG   PRO  63          1HG       PRO  63 -15.207  36.749 -11.773
  480   2HG   PRO  63          2HG       PRO  63 -16.385  35.540 -12.391
  481   1HD   PRO  63          1HD       PRO  63 -13.398  35.237 -12.013
  482   2HD   PRO  63          2HD       PRO  63 -14.707  34.108 -11.544
  483    H    ASN  64           H        ASN  64 -15.367  36.104 -16.779
  484    HA   ASN  64           HA       ASN  64 -13.269  36.128 -18.604
  485   1HB   ASN  64          1HB       ASN  64 -15.486  36.843 -19.124
  486   2HB   ASN  64          2HB       ASN  64 -15.498  38.031 -17.822
  487   1HD2  ASN  64          2HD2      ASN  64 -13.890  39.829 -18.022
  488   2HD2  ASN  64          1HD2      ASN  64 -13.908  40.608 -19.610
  489    HA   PRO  65           HA       PRO  65 -10.538  38.173 -15.667
  490   1HB   PRO  65          1HB       PRO  65  -8.110  37.829 -16.895
  491   2HB   PRO  65          2HB       PRO  65  -9.028  36.535 -16.071
  492   1HG   PRO  65          1HG       PRO  65  -8.994  37.168 -19.046
  493   2HG   PRO  65          2HG       PRO  65  -8.725  35.586 -18.242
  494   1HD   PRO  65          1HD       PRO  65 -11.151  36.291 -19.222
  495   2HD   PRO  65          2HD       PRO  65 -11.005  35.392 -17.680
  496    H    THR  66           H        THR  66  -9.885  40.194 -15.302
  497    HA   THR  66           HA       THR  66  -9.359  42.038 -17.569
  498    HB   THR  66           HB       THR  66 -10.394  43.853 -16.139
  499    HG1  THR  66           HG1      THR  66 -10.668  42.936 -14.101
  500   1HG2  THR  66          1HG2      THR  66 -12.567  43.464 -16.968
  501   2HG2  THR  66          2HG2      THR  66 -11.481  42.744 -18.136
  502   3HG2  THR  66          3HG2      THR  66 -12.355  41.698 -16.993
  503    H    MET  67           H        MET  67  -8.158  43.876 -17.109
  504    HA   MET  67           HA       MET  67  -6.548  43.781 -14.623
  505   1HB   MET  67          1HB       MET  67  -5.433  43.363 -17.164
  506   2HB   MET  67          2HB       MET  67  -5.113  45.072 -16.842
  507   1HG   MET  67          1HG       MET  67  -4.543  42.761 -14.934
  508   2HG   MET  67          2HG       MET  67  -3.336  43.507 -15.966
  509   1HE   MET  67          1HE       MET  67  -1.876  43.814 -13.529
  510   2HE   MET  67          2HE       MET  67  -2.664  44.537 -12.112
  511   3HE   MET  67          3HE       MET  67  -3.286  43.016 -12.793
  512    H    GLU  68           H        GLU  68  -6.558  45.604 -13.457
  513    HA   GLU  68           HA       GLU  68  -8.400  47.749 -14.423
  514   1HB   GLU  68          1HB       GLU  68  -8.262  46.318 -11.741
  515   2HB   GLU  68          2HB       GLU  68  -9.318  47.664 -12.107
  516   1HG   GLU  68          1HG       GLU  68 -10.891  46.320 -12.937
  517   2HG   GLU  68          2HG       GLU  68  -9.787  45.625 -14.108
  518    H    ASN  69           H        ASN  69  -8.202  49.807 -13.224
  519    HA   ASN  69           HA       ASN  69  -5.441  50.439 -12.471
  520   1HB   ASN  69          1HB       ASN  69  -6.300  52.700 -12.085
  521   2HB   ASN  69          2HB       ASN  69  -6.737  52.078 -13.672
  522   1HD2  ASN  69          2HD2      ASN  69  -8.749  52.997 -14.188
  523   2HD2  ASN  69          1HD2      ASN  69 -10.061  53.015 -13.009
  524    H    ASN  70           H        ASN  70  -7.985  49.044 -10.815
  525    HA   ASN  70           HA       ASN  70  -6.871  49.672  -8.123
  526   1HB   ASN  70          1HB       ASN  70  -9.183  49.789  -7.283
  527   2HB   ASN  70          2HB       ASN  70  -8.845  51.015  -8.495
  528   1HD2  ASN  70          1HD2      ASN  70  -9.986  50.995 -10.484
  529   2HD2  ASN  70          2HD2      ASN  70 -11.379  49.902 -10.676
  530    H    GLY  71           H        GLY  71  -6.204  47.365  -9.771
  531   1HA   GLY  71          1HA       GLY  71  -5.815  45.296  -8.227
  532   2HA   GLY  71          2HA       GLY  71  -7.559  45.090  -8.410
  533    H    GLY  72           H        GLY  72  -7.260  43.080  -9.433
  534   1HA   GLY  72          1HA       GLY  72  -7.867  42.152 -11.503
  535   2HA   GLY  72          2HA       GLY  72  -6.988  43.412 -12.346
  536    H    GLY  73           H        GLY  73  -6.681  41.226 -13.488
  537   1HA   GLY  73          1HA       GLY  73  -4.730  40.369 -14.488
  538   2HA   GLY  73          2HA       GLY  73  -3.864  40.499 -12.983
  539    H    PHE  74           H        PHE  74  -6.744  38.818 -12.273
  540    HA   PHE  74           HA       PHE  74  -5.123  36.314 -12.236
  541   1HB   PHE  74          1HB       PHE  74  -5.670  37.296 -10.049
  542   2HB   PHE  74          2HB       PHE  74  -7.391  37.196 -10.424
  543    HD1  PHE  74           HD1      PHE  74  -4.291  35.106 -10.067
  544    HD2  PHE  74           HD2      PHE  74  -8.605  35.142 -10.075
  545    HE1  PHE  74           HE1      PHE  74  -4.309  32.687  -9.576
  546    HE2  PHE  74           HE2      PHE  74  -8.615  32.714  -9.561
  547    HZ   PHE  74           HZ       PHE  74  -6.477  31.488  -9.319
  548    H    ILE  75           H        ILE  75  -5.936  34.274 -12.486
  549    HA   ILE  75           HA       ILE  75  -8.418  33.901 -14.074
  550    HB   ILE  75           HB       ILE  75  -5.639  33.040 -14.836
  551   1HG1  ILE  75          2HG1      ILE  75  -7.165  35.390 -15.924
  552   2HG1  ILE  75          3HG1      ILE  75  -5.604  35.399 -15.095
  553   1HG2  ILE  75          1HG2      ILE  75  -6.620  32.360 -17.011
  554   2HG2  ILE  75          2HG2      ILE  75  -7.332  31.494 -15.687
  555   3HG2  ILE  75          3HG2      ILE  75  -8.228  32.846 -16.423
  556   1HD1  ILE  75          1HD1      ILE  75  -5.160  35.759 -17.361
  557   2HD1  ILE  75          2HD1      ILE  75  -4.625  34.111 -16.998
  558   3HD1  ILE  75          3HD1      ILE  75  -6.159  34.365 -17.848
  559    H    GLU  76           H        GLU  76  -9.308  31.900 -13.765
  560    HA   GLU  76           HA       GLU  76  -7.559  29.626 -13.245
  561   1HB   GLU  76          1HB       GLU  76  -8.805  30.135 -11.089
  562   2HB   GLU  76          2HB       GLU  76 -10.302  29.735 -11.940
  563   1HG   GLU  76          1HG       GLU  76  -9.487  27.462 -12.412
  564   2HG   GLU  76          2HG       GLU  76  -7.926  27.834 -11.750
  565    H    MET  77           H        MET  77  -7.883  28.095 -14.764
  566    HA   MET  77           HA       MET  77 -10.466  27.837 -16.171
  567   1HB   MET  77          1HB       MET  77  -9.271  27.668 -18.378
  568   2HB   MET  77          2HB       MET  77  -9.305  29.298 -17.703
  569   1HG   MET  77          1HG       MET  77  -7.029  29.206 -17.036
  570   2HG   MET  77          2HG       MET  77  -6.951  27.462 -17.228
  571   1HE   MET  77          1HE       MET  77  -6.611  30.541 -20.648
  572   2HE   MET  77          2HE       MET  77  -8.159  30.380 -19.792
  573   3HE   MET  77          3HE       MET  77  -6.708  30.927 -18.916
  574    H    GLN  78           H        GLN  78 -10.641  25.745 -17.313
  575    HA   GLN  78           HA       GLN  78  -8.613  23.734 -16.429
  576   1HB   GLN  78          1HB       GLN  78 -10.888  23.603 -15.290
  577   2HB   GLN  78          2HB       GLN  78 -11.547  23.099 -16.854
  578   1HG   GLN  78          1HG       GLN  78 -10.062  21.134 -16.874
  579   2HG   GLN  78          2HG       GLN  78  -9.196  21.737 -15.454
  580   1HE2  GLN  78          2HE2      GLN  78  -9.621  20.208 -13.861
  581   2HE2  GLN  78          1HE2      GLN  78 -11.280  19.707 -13.484
  582    H    LEU  79           H        LEU  79  -8.293  21.942 -17.850
  583    HA   LEU  79           HA       LEU  79  -8.551  22.670 -20.708
  584   1HB   LEU  79          1HB       LEU  79  -6.040  22.457 -18.991
  585   2HB   LEU  79          2HB       LEU  79  -6.012  22.267 -20.736
  586    HG   LEU  79           HG       LEU  79  -7.156  24.601 -20.845
  587   1HD1  LEU  79          1HD1      LEU  79  -6.798  24.431 -17.953
  588   2HD1  LEU  79          2HD1      LEU  79  -5.789  25.720 -18.592
  589   3HD1  LEU  79          3HD1      LEU  79  -7.522  25.715 -18.933
  590   1HD2  LEU  79          1HD2      LEU  79  -4.973  24.168 -21.638
  591   2HD2  LEU  79          2HD2      LEU  79  -4.865  25.622 -20.629
  592   3HD2  LEU  79          3HD2      LEU  79  -4.302  24.070 -19.992
  593    HA   PRO  80           HA       PRO  80  -8.317  18.193 -21.490
  594   1HB   PRO  80          1HB       PRO  80  -6.629  19.019 -23.832
  595   2HB   PRO  80          2HB       PRO  80  -8.056  17.945 -23.777
  596   1HG   PRO  80          1HG       PRO  80  -8.231  20.490 -24.722
  597   2HG   PRO  80          2HG       PRO  80  -9.543  19.788 -23.718
  598   1HD   PRO  80          1HD       PRO  80  -7.320  21.652 -22.863
  599   2HD   PRO  80          2HD       PRO  80  -9.066  21.691 -22.466
  600    HA   PRO  81           HA       PRO  81  -4.192  17.511 -19.602
  601   1HB   PRO  81          1HB       PRO  81  -5.119  14.676 -20.024
  602   2HB   PRO  81          2HB       PRO  81  -4.256  15.391 -18.619
  603   1HG   PRO  81          1HG       PRO  81  -6.911  15.056 -18.426
  604   2HG   PRO  81          2HG       PRO  81  -6.211  16.652 -17.984
  605   1HD   PRO  81          1HD       PRO  81  -7.486  15.884 -20.621
  606   2HD   PRO  81          2HD       PRO  81  -7.834  17.287 -19.561
  607    H    GLY  82           H        GLY  82  -2.214  17.087 -20.277
  608   1HA   GLY  82          1HA       GLY  82  -0.676  16.202 -22.096
  609   2HA   GLY  82          2HA       GLY  82  -1.937  16.690 -23.237
  610    H    ASP  83           H        ASP  83  -0.251  18.009 -24.203
  611    HA   ASP  83           HA       ASP  83   0.863  20.282 -22.702
  612   1HB   ASP  83          1HB       ASP  83   2.361  18.977 -24.048
  613   2HB   ASP  83          2HB       ASP  83   1.328  19.128 -25.467
  614    H    ASN  84           H        ASN  84  -0.271  22.078 -22.506
  615    HA   ASN  84           HA       ASN  84  -1.722  23.166 -24.876
  616   1HB   ASN  84          1HB       ASN  84  -2.455  23.614 -21.961
  617   2HB   ASN  84          2HB       ASN  84  -3.331  24.157 -23.396
  618   1HD2  ASN  84          2HD2      ASN  84  -2.652  21.364 -21.304
  619   2HD2  ASN  84          1HD2      ASN  84  -4.022  20.441 -21.964
  620    H    ILE  85           H        ILE  85  -1.147  25.190 -25.474
  621    HA   ILE  85           HA       ILE  85   0.976  26.533 -23.884
  622    HB   ILE  85           HB       ILE  85   0.127  26.954 -26.778
  623   1HG1  ILE  85          2HG1      ILE  85   2.731  26.014 -26.769
  624   2HG1  ILE  85          3HG1      ILE  85   2.073  25.153 -25.385
  625   1HG2  ILE  85          1HG2      ILE  85   2.445  28.034 -25.110
  626   2HG2  ILE  85          2HG2      ILE  85   2.209  28.288 -26.861
  627   3HG2  ILE  85          3HG2      ILE  85   1.066  28.981 -25.709
  628   1HD1  ILE  85          1HD1      ILE  85   0.967  25.077 -28.225
  629   2HD1  ILE  85          2HD1      ILE  85   1.935  23.813 -27.439
  630   3HD1  ILE  85          3HD1      ILE  85   0.312  24.163 -26.845
  631    H    ILE  86           H        ILE  86   0.238  27.872 -22.428
  632    HA   ILE  86           HA       ILE  86  -2.432  29.095 -22.847
  633    HB   ILE  86           HB       ILE  86  -0.856  28.972 -20.271
  634   1HG1  ILE  86          2HG1      ILE  86  -2.990  27.157 -21.477
  635   2HG1  ILE  86          3HG1      ILE  86  -1.368  26.722 -20.972
  636   1HG2  ILE  86          1HG2      ILE  86  -2.461  30.828 -20.354
  637   2HG2  ILE  86          2HG2      ILE  86  -3.723  29.765 -21.024
  638   3HG2  ILE  86          3HG2      ILE  86  -3.152  29.546 -19.373
  639   1HD1  ILE  86          1HD1      ILE  86  -3.730  27.387 -19.190
  640   2HD1  ILE  86          2HD1      ILE  86  -2.831  25.877 -19.309
  641   3HD1  ILE  86          3HD1      ILE  86  -2.054  27.298 -18.590
  642    H    TYR  87           H        TYR  87  -2.624  30.998 -23.570
  643    HA   TYR  87           HA       TYR  87  -0.288  32.846 -23.564
  644   1HB   TYR  87          1HB       TYR  87  -2.723  32.600 -25.321
  645   2HB   TYR  87          2HB       TYR  87  -1.755  34.053 -25.291
  646    HD1  TYR  87           HD1      TYR  87   0.558  34.085 -26.039
  647    HD2  TYR  87           HD2      TYR  87  -1.874  30.549 -26.413
  648    HE1  TYR  87           HE1      TYR  87   2.173  33.159 -27.711
  649    HE2  TYR  87           HE2      TYR  87  -0.248  29.615 -28.052
  650    HH   TYR  87           HH       TYR  87   1.648  29.978 -29.245
  651    H    VAL  88           H        VAL  88  -0.384  34.729 -22.741
  652    HA   VAL  88           HA       VAL  88  -3.013  36.049 -22.289
  653    HB   VAL  88           HB       VAL  88  -0.461  36.403 -20.673
  654   1HG1  VAL  88          1HG1      VAL  88  -2.937  38.140 -20.989
  655   2HG1  VAL  88          2HG1      VAL  88  -1.836  38.279 -19.601
  656   3HG1  VAL  88          3HG1      VAL  88  -1.246  38.578 -21.227
  657   1HG2  VAL  88          1HG2      VAL  88  -1.621  35.577 -18.855
  658   2HG2  VAL  88          2HG2      VAL  88  -3.192  36.135 -19.437
  659   3HG2  VAL  88          3HG2      VAL  88  -2.460  34.659 -20.091
  660    H    GLY  89           H        GLY  89  -3.160  36.802 -24.341
  661   1HA   GLY  89          1HA       GLY  89  -2.710  38.231 -26.116
  662   2HA   GLY  89          2HA       GLY  89  -1.272  38.826 -25.266
  663    H    GLU  90           H        GLU  90   0.589  38.397 -26.293
  664    HA   GLU  90           HA       GLU  90   0.917  35.757 -27.685
  665   1HB   GLU  90          1HB       GLU  90   1.673  38.458 -28.482
  666   2HB   GLU  90          2HB       GLU  90   3.097  37.447 -28.320
  667   1HG   GLU  90          1HG       GLU  90   2.304  37.287 -30.586
  668   2HG   GLU  90          2HG       GLU  90   2.082  35.727 -29.793
  669    H    LEU  91           H        LEU  91   1.578  37.273 -24.759
  670    HA   LEU  91           HA       LEU  91   4.129  35.978 -24.174
  671   1HB   LEU  91          1HB       LEU  91   3.372  37.997 -22.941
  672   2HB   LEU  91          2HB       LEU  91   1.938  37.132 -22.401
  673    HG   LEU  91           HG       LEU  91   3.391  35.496 -21.182
  674   1HD1  LEU  91          1HD1      LEU  91   5.733  36.289 -20.658
  675   2HD1  LEU  91          2HD1      LEU  91   5.525  35.736 -22.324
  676   3HD1  LEU  91          3HD1      LEU  91   5.572  37.478 -21.966
  677   1HD2  LEU  91          1HD2      LEU  91   3.698  38.414 -20.425
  678   2HD2  LEU  91          2HD2      LEU  91   2.290  37.386 -20.060
  679   3HD2  LEU  91          3HD2      LEU  91   3.858  37.016 -19.331
  680    H    LYS  92           H        LYS  92   4.309  33.823 -23.930
  681    HA   LYS  92           HA       LYS  92   1.863  32.219 -23.360
  682   1HB   LYS  92          1HB       LYS  92   2.554  30.617 -24.783
  683   2HB   LYS  92          2HB       LYS  92   3.257  32.020 -25.573
  684   1HG   LYS  92          1HG       LYS  92   5.471  31.453 -24.473
  685   2HG   LYS  92          2HG       LYS  92   4.715  29.987 -23.821
  686   1HD   LYS  92          1HD       LYS  92   4.177  29.272 -26.179
  687   2HD   LYS  92          2HD       LYS  92   5.057  30.680 -26.759
  688   1HE   LYS  92          HE2       LYS  92   6.505  28.769 -26.914
  689   2HE   LYS  92          HE3       LYS  92   7.116  29.835 -25.644
  690   1HZ   LYS  92          HZ1       LYS  92   7.178  27.571 -24.897
  691   2HZ   LYS  92          HZ2       LYS  92   6.007  28.328 -24.032
  692   3HZ   LYS  92          HZ3       LYS  92   5.620  27.272 -25.232
  693    H    HIS  93           H        HIS  93   2.047  30.271 -22.150
  694    HA   HIS  93           HA       HIS  93   4.686  29.612 -21.020
  695   1HB   HIS  93          1HB       HIS  93   3.470  30.768 -19.189
  696   2HB   HIS  93          2HB       HIS  93   2.154  29.615 -19.361
  697    HD1  HIS  93           HD1      HIS  93   2.528  27.244 -18.128
  698    HD2  HIS  93           HD2      HIS  93   5.813  29.889 -18.124
  699    HE1  HIS  93           HE1      HIS  93   4.197  26.339 -16.429
  700    H    GLN  94           H        GLN  94   5.027  27.385 -20.972
  701    HA   GLN  94           HA       GLN  94   3.192  25.743 -22.586
  702   1HB   GLN  94          1HB       GLN  94   5.876  25.868 -22.635
  703   2HB   GLN  94          2HB       GLN  94   5.743  24.728 -21.314
  704   1HG   GLN  94          1HG       GLN  94   5.890  23.352 -23.199
  705   2HG   GLN  94          2HG       GLN  94   4.161  23.371 -22.856
  706   1HE2  GLN  94          2HE2      GLN  94   3.646  22.799 -25.085
  707   2HE2  GLN  94          1HE2      GLN  94   4.000  23.924 -26.394
  708    H    TRP  95           H        TRP  95   1.419  24.940 -21.432
  709    HA   TRP  95           HA       TRP  95   1.887  24.078 -18.617
  710   1HB   TRP  95          1HB       TRP  95   0.241  25.855 -18.806
  711   2HB   TRP  95          2HB       TRP  95  -0.669  24.886 -19.979
  712    HD1  TRP  95           HD1      TRP  95  -2.468  23.436 -19.053
  713    HE1  TRP  95           HE1      TRP  95  -3.035  22.267 -16.788
  714    HE3  TRP  95           HE3      TRP  95   1.631  24.841 -16.322
  715    HZ2  TRP  95           HZ2      TRP  95  -1.772  21.801 -14.315
  716    HZ3  TRP  95           HZ3      TRP  95   2.004  23.874 -14.084
  717    HH2  TRP  95           HH2      TRP  95   0.327  22.336 -13.072
  718    H    PHE  96           H        PHE  96   2.408  22.046 -18.592
  719    HA   PHE  96           HA       PHE  96   1.004  20.004 -20.198
  720   1HB   PHE  96          1HB       PHE  96   3.236  19.907 -18.151
  721   2HB   PHE  96          2HB       PHE  96   2.437  18.476 -18.782
  722    HD1  PHE  96           HD1      PHE  96   4.724  17.738 -19.355
  723    HD2  PHE  96           HD2      PHE  96   2.929  21.134 -21.355
  724    HE1  PHE  96           HE1      PHE  96   6.368  17.554 -21.203
  725    HE2  PHE  96           HE2      PHE  96   4.588  20.951 -23.135
  726    HZ   PHE  96           HZ       PHE  96   6.302  19.168 -23.095
  727    H    GLN  97           H        GLN  97  -0.922  19.412 -19.581
  728    HA   GLN  97           HA       GLN  97  -1.971  20.236 -16.967
  729   1HB   GLN  97          1HB       GLN  97  -3.016  21.084 -18.956
  730   2HB   GLN  97          2HB       GLN  97  -3.085  19.500 -19.686
  731   1HG   GLN  97          1HG       GLN  97  -5.271  20.270 -19.100
  732   2HG   GLN  97          2HG       GLN  97  -4.888  18.807 -18.208
  733   1HE2  GLN  97          2HE2      GLN  97  -6.949  19.842 -17.228
  734   2HE2  GLN  97          1HE2      GLN  97  -6.448  20.401 -15.617
  735    H    LYS  98           H        LYS  98  -2.917  19.051 -15.471
  736    HA   LYS  98           HA       LYS  98  -3.396  16.126 -15.811
  737   1HB   LYS  98          1HB       LYS  98  -1.896  16.161 -14.043
  738   2HB   LYS  98          2HB       LYS  98  -2.377  17.761 -13.513
  739   1HG   LYS  98          1HG       LYS  98  -3.003  16.399 -11.767
  740   2HG   LYS  98          2HG       LYS  98  -4.514  16.754 -12.569
  741   1HD   LYS  98          1HD       LYS  98  -4.404  14.457 -13.651
  742   2HD   LYS  98          2HD       LYS  98  -2.892  14.180 -12.776
  743   1HE   LYS  98          HE2       LYS  98  -4.620  13.096 -11.529
  744   2HE   LYS  98          HE3       LYS  98  -4.132  14.528 -10.606
  745   1HZ   LYS  98          HZ1       LYS  98  -6.059  15.655 -11.260
  746   2HZ   LYS  98          HZ2       LYS  98  -6.490  14.550 -12.427
  747   3HZ   LYS  98          HZ3       LYS  98  -6.609  14.220 -10.812
  748    H    GLY  99           H        GLY  99  -5.416  15.512 -15.722
  749   1HA   GLY  99          1HA       GLY  99  -7.565  17.032 -14.411
  750   2HA   GLY  99          2HA       GLY  99  -7.762  16.700 -16.135
  Start of MODEL   12
    1   1H    ILE   1           H1       ILE   1 -13.326  49.921 -13.010
    2   2H    ILE   1           H2       ILE   1 -12.489  48.534 -13.140
    3   3H    ILE   1           H3       ILE   1 -13.818  48.800 -14.121
    4    HA   ILE   1           HA       ILE   1 -13.694  48.261 -11.262
    5    HB   ILE   1           HB       ILE   1 -15.088  50.184 -11.543
    6   1HG1  ILE   1          2HG1      ILE   1 -16.458  47.656 -10.548
    7   2HG1  ILE   1          3HG1      ILE   1 -15.239  48.604  -9.693
    8   1HG2  ILE   1          1HG2      ILE   1 -16.146  49.734 -13.751
    9   2HG2  ILE   1          2HG2      ILE   1 -17.112  48.438 -12.996
   10   3HG2  ILE   1          3HG2      ILE   1 -17.301  50.123 -12.492
   11   1HD1  ILE   1          1HD1      ILE   1 -16.823  50.586  -9.769
   12   2HD1  ILE   1          2HD1      ILE   1 -18.069  49.468 -10.378
   13   3HD1  ILE   1          3HD1      ILE   1 -17.357  49.212  -8.779
   14    H    SER   2           H        SER   2 -13.246  46.246 -11.219
   15    HA   SER   2           HA       SER   2 -13.528  44.014 -11.133
   16   1HB   SER   2          1HB       SER   2 -15.713  44.824 -10.232
   17   2HB   SER   2          2HB       SER   2 -16.445  44.472 -11.810
   18    HG   SER   2           HG       SER   2 -16.537  42.765 -10.151
   19    H    LYS   3           H        LYS   3 -15.120  42.189 -12.399
   20    HA   LYS   3           HA       LYS   3 -13.678  41.741 -14.954
   21   1HB   LYS   3          1HB       LYS   3 -15.423  39.943 -13.233
   22   2HB   LYS   3          2HB       LYS   3 -14.765  39.490 -14.807
   23   1HG   LYS   3          1HG       LYS   3 -12.449  40.184 -13.857
   24   2HG   LYS   3          2HG       LYS   3 -13.221  40.118 -12.261
   25   1HD   LYS   3          1HD       LYS   3 -13.777  37.739 -12.612
   26   2HD   LYS   3          2HD       LYS   3 -13.243  37.869 -14.298
   27   1HE   LYS   3          HE2       LYS   3 -10.949  38.529 -13.408
   28   2HE   LYS   3          HE3       LYS   3 -11.498  38.003 -11.813
   29   1HZ   LYS   3          HZ1       LYS   3 -10.287  36.305 -13.237
   30   2HZ   LYS   3          HZ2       LYS   3 -11.738  35.789 -12.622
   31   3HZ   LYS   3          HZ3       LYS   3 -11.671  36.235 -14.186
   32    H    GLY   4           H        GLY   4 -14.773  43.539 -15.948
   33   1HA   GLY   4          1HA       GLY   4 -17.583  43.272 -16.737
   34   2HA   GLY   4          2HA       GLY   4 -16.464  44.530 -17.247
   35    H    LEU   5           H        LEU   5 -18.308  42.106 -18.381
   36    HA   LEU   5           HA       LEU   5 -16.791  40.847 -20.420
   37   1HB   LEU   5          1HB       LEU   5 -19.173  40.345 -19.467
   38   2HB   LEU   5          2HB       LEU   5 -19.727  41.583 -20.582
   39    HG   LEU   5           HG       LEU   5 -18.503  40.101 -22.423
   40   1HD1  LEU   5          1HD1      LEU   5 -18.962  38.034 -20.240
   41   2HD1  LEU   5          2HD1      LEU   5 -18.444  37.727 -21.909
   42   3HD1  LEU   5          3HD1      LEU   5 -17.370  38.594 -20.802
   43   1HD2  LEU   5          1HD2      LEU   5 -21.066  39.179 -21.079
   44   2HD2  LEU   5          2HD2      LEU   5 -20.922  40.444 -22.322
   45   3HD2  LEU   5          3HD2      LEU   5 -20.529  38.769 -22.725
   46    H    THR   6           H        THR   6 -17.683  44.185 -20.227
   47    HA   THR   6           HA       THR   6 -17.814  44.581 -23.150
   48    HB   THR   6           HB       THR   6 -18.570  46.886 -22.403
   49    HG1  THR   6           HG1      THR   6 -19.194  47.006 -20.233
   50   1HG2  THR   6          1HG2      THR   6 -20.812  46.146 -21.760
   51   2HG2  THR   6          2HG2      THR   6 -20.174  45.107 -23.045
   52   3HG2  THR   6          3HG2      THR   6 -20.200  44.525 -21.366
   53    H    TYR   7           H        TYR   7 -15.369  44.945 -20.706
   54    HA   TYR   7           HA       TYR   7 -14.145  47.316 -21.791
   55   1HB   TYR   7          1HB       TYR   7 -12.852  45.022 -20.277
   56   2HB   TYR   7          2HB       TYR   7 -12.141  46.603 -20.556
   57    HD1  TYR   7           HD1      TYR   7 -13.887  48.656 -19.826
   58    HD2  TYR   7           HD2      TYR   7 -13.651  44.708 -18.129
   59    HE1  TYR   7           HE1      TYR   7 -14.790  49.524 -17.669
   60    HE2  TYR   7           HE2      TYR   7 -14.480  45.606 -15.937
   61    HH   TYR   7           HH       TYR   7 -15.366  47.407 -14.842
   62    H    THR   8           H        THR   8 -12.271  47.560 -23.146
   63    HA   THR   8           HA       THR   8 -12.185  45.729 -25.389
   64    HB   THR   8           HB       THR   8 -10.318  47.310 -26.118
   65    HG1  THR   8           HG1      THR   8 -10.256  49.256 -24.926
   66   1HG2  THR   8          1HG2      THR   8 -12.990  48.598 -25.409
   67   2HG2  THR   8          2HG2      THR   8 -11.847  49.139 -26.657
   68   3HG2  THR   8          3HG2      THR   8 -12.682  47.588 -26.838
   69    H    MET   9           H        MET   9 -10.113  44.905 -26.240
   70    HA   MET   9           HA       MET   9  -8.977  43.089 -24.340
   71   1HB   MET   9          1HB       MET   9  -7.923  43.710 -27.127
   72   2HB   MET   9          2HB       MET   9  -7.710  42.229 -26.191
   73   1HG   MET   9          1HG       MET   9 -10.256  43.271 -27.476
   74   2HG   MET   9          2HG       MET   9  -9.337  41.841 -27.925
   75   1HE   MET   9          1HE       MET   9 -12.837  40.522 -26.645
   76   2HE   MET   9          2HE       MET   9 -12.537  42.088 -27.434
   77   3HE   MET   9          3HE       MET   9 -11.724  40.622 -28.028
   78    H    CYS  10           H        CYS  10  -7.135  43.197 -23.150
   79    HA   CYS  10           HA       CYS  10  -5.406  45.506 -23.085
   80   1HB   CYS  10          1HB       CYS  10  -4.800  42.649 -22.341
   81   2HB   CYS  10          2HB       CYS  10  -3.937  44.044 -21.771
   82    H    ASP  11           H        ASP  11  -3.385  45.839 -24.062
   83    HA   ASP  11           HA       ASP  11  -2.706  44.886 -26.600
   84   1HB   ASP  11          1HB       ASP  11  -1.899  46.959 -25.589
   85   2HB   ASP  11          2HB       ASP  11  -0.975  46.060 -24.393
   86    H    LYS  12           H        LYS  12  -1.897  43.047 -27.341
   87    HA   LYS  12           HA       LYS  12  -1.469  40.761 -25.781
   88   1HB   LYS  12          1HB       LYS  12  -0.608  41.421 -28.626
   89   2HB   LYS  12          2HB       LYS  12  -0.391  39.838 -27.905
   90   1HG   LYS  12          1HG       LYS  12  -2.927  39.800 -27.459
   91   2HG   LYS  12          2HG       LYS  12  -3.022  41.252 -28.458
   92   1HD   LYS  12          1HD       LYS  12  -3.517  39.417 -29.910
   93   2HD   LYS  12          2HD       LYS  12  -1.875  39.942 -30.314
   94   1HE   LYS  12          HE2       LYS  12  -1.106  38.104 -28.634
   95   2HE   LYS  12          HE3       LYS  12  -2.747  37.490 -28.707
   96   1HZ   LYS  12          HZ1       LYS  12  -1.068  37.889 -31.116
   97   2HZ   LYS  12          HZ2       LYS  12  -1.041  36.491 -30.278
   98   3HZ   LYS  12          HZ3       LYS  12  -2.449  36.995 -31.002
   99    H    ALA  13           H        ALA  13   0.880  43.275 -26.266
  100    HA   ALA  13           HA       ALA  13   3.112  41.403 -25.544
  101   1HB   ALA  13          1HB       ALA  13   3.119  43.914 -27.258
  102   2HB   ALA  13          2HB       ALA  13   4.525  42.884 -26.896
  103   3HB   ALA  13          3HB       ALA  13   3.176  42.236 -27.847
  104    H    LYS  14           H        LYS  14   1.346  43.945 -24.165
  105    HA   LYS  14           HA       LYS  14   3.676  45.052 -22.664
  106   1HB   LYS  14          1HB       LYS  14   0.722  45.702 -22.490
  107   2HB   LYS  14          2HB       LYS  14   1.970  46.552 -21.623
  108   1HG   LYS  14          1HG       LYS  14   1.615  46.403 -24.602
  109   2HG   LYS  14          2HG       LYS  14   1.199  47.783 -23.584
  110   1HD   LYS  14          1HD       LYS  14   3.629  48.064 -23.071
  111   2HD   LYS  14          2HD       LYS  14   4.004  46.715 -24.160
  112   1HE   LYS  14          HE2       LYS  14   2.630  49.327 -24.933
  113   2HE   LYS  14          HE3       LYS  14   4.313  48.896 -25.266
  114   1HZ   LYS  14          HZ1       LYS  14   2.994  48.469 -27.212
  115   2HZ   LYS  14          HZ2       LYS  14   3.405  46.995 -26.596
  116   3HZ   LYS  14          HZ3       LYS  14   1.887  47.585 -26.410
  117    H    PHE  15           H        PHE  15   2.027  42.282 -22.288
  118    HA   PHE  15           HA       PHE  15   1.516  42.306 -19.414
  119   1HB   PHE  15          1HB       PHE  15   1.385  40.224 -21.623
  120   2HB   PHE  15          2HB       PHE  15   1.217  39.764 -19.938
  121    HD1  PHE  15           HD1      PHE  15  -0.457  41.026 -18.455
  122    HD2  PHE  15           HD2      PHE  15  -0.584  40.935 -22.771
  123    HE1  PHE  15           HE1      PHE  15  -2.904  41.479 -18.395
  124    HE2  PHE  15           HE2      PHE  15  -2.990  41.403 -22.714
  125    HZ   PHE  15           HZ       PHE  15  -4.173  41.600 -20.489
  126    H    THR  16           H        THR  16   2.343  40.958 -17.898
  127    HA   THR  16           HA       THR  16   4.813  39.407 -18.373
  128    HB   THR  16           HB       THR  16   5.696  40.234 -16.159
  129    HG1  THR  16           HG1      THR  16   3.518  41.982 -16.502
  130   1HG2  THR  16          1HG2      THR  16   5.460  42.423 -18.265
  131   2HG2  THR  16          2HG2      THR  16   6.692  42.278 -16.999
  132   3HG2  THR  16          3HG2      THR  16   6.624  41.078 -18.306
  133    H    TRP  17           H        TRP  17   4.896  37.543 -17.127
  134    HA   TRP  17           HA       TRP  17   2.487  36.578 -15.836
  135   1HB   TRP  17          1HB       TRP  17   5.304  35.472 -16.091
  136   2HB   TRP  17          2HB       TRP  17   4.012  34.650 -15.234
  137    HD1  TRP  17           HD1      TRP  17   5.630  34.433 -18.391
  138    HE1  TRP  17           HE1      TRP  17   4.191  33.232 -20.168
  139    HE3  TRP  17           HE3      TRP  17   1.070  34.701 -16.051
  140    HZ2  TRP  17           HZ2      TRP  17   1.406  32.578 -20.546
  141    HZ3  TRP  17           HZ3      TRP  17  -0.943  33.768 -17.145
  142    HH2  TRP  17           HH2      TRP  17  -0.787  32.697 -19.377
  143    H    LYS  18           H        LYS  18   1.875  37.369 -13.923
  144    HA   LYS  18           HA       LYS  18   3.822  38.162 -11.820
  145   1HB   LYS  18          1HB       LYS  18   1.611  39.411 -12.357
  146   2HB   LYS  18          2HB       LYS  18   0.792  38.052 -11.575
  147   1HG   LYS  18          1HG       LYS  18   2.513  38.593  -9.612
  148   2HG   LYS  18          2HG       LYS  18   2.638  40.160 -10.409
  149   1HD   LYS  18          1HD       LYS  18   0.078  38.843  -9.422
  150   2HD   LYS  18          2HD       LYS  18   0.992  40.027  -8.517
  151   1HE   LYS  18          HE2       LYS  18  -0.033  41.729  -9.463
  152   2HE   LYS  18          HE3       LYS  18   0.424  41.200 -11.087
  153   1HZ   LYS  18          HZ1       LYS  18  -1.827  39.839  -9.771
  154   2HZ   LYS  18          HZ2       LYS  18  -2.097  41.346 -10.389
  155   3HZ   LYS  18          HZ3       LYS  18  -1.558  40.177 -11.389
  156    H    ARG  19           H        ARG  19   1.508  35.662 -12.622
  157    HA   ARG  19           HA       ARG  19   2.925  33.677 -10.931
  158   1HB   ARG  19          1HB       ARG  19   0.857  34.537  -9.695
  159   2HB   ARG  19          2HB       ARG  19  -0.100  33.906 -11.035
  160   1HG   ARG  19          1HG       ARG  19   1.100  31.626 -10.490
  161   2HG   ARG  19          2HG       ARG  19   1.419  32.397  -8.930
  162   1HD   ARG  19          1HD       ARG  19  -1.255  31.792 -10.250
  163   2HD   ARG  19          2HD       ARG  19  -0.613  31.138  -8.740
  164    HE   ARG  19           HE       ARG  19  -1.150  34.081  -8.884
  165   1HH1  ARG  19          1HH1      ARG  19  -2.275  31.020  -7.621
  166   2HH1  ARG  19          2HH1      ARG  19  -3.441  31.789  -6.573
  167   1HH2  ARG  19          1HH2      ARG  19  -2.642  35.012  -7.658
  168   2HH2  ARG  19          2HH2      ARG  19  -3.631  34.047  -6.574
  169    H    ALA  20           H        ALA  20   3.772  32.549 -12.700
  170    HA   ALA  20           HA       ALA  20   2.427  32.284 -15.197
  171   1HB   ALA  20          1HB       ALA  20   4.176  30.602 -15.680
  172   2HB   ALA  20          2HB       ALA  20   4.854  32.072 -14.962
  173   3HB   ALA  20          3HB       ALA  20   4.653  30.603 -13.972
  174    HA   PRO  21           HA       PRO  21  -0.659  29.255 -14.640
  175   1HB   PRO  21          1HB       PRO  21   0.487  27.704 -16.948
  176   2HB   PRO  21          2HB       PRO  21  -1.207  28.204 -16.625
  177   1HG   PRO  21          1HG       PRO  21   0.356  29.586 -18.376
  178   2HG   PRO  21          2HG       PRO  21  -0.760  30.437 -17.272
  179   1HD   PRO  21          1HD       PRO  21   2.218  30.098 -17.036
  180   2HD   PRO  21          2HD       PRO  21   1.187  31.498 -16.649
  181    H    THR  22           H        THR  22  -0.919  27.862 -13.088
  182    HA   THR  22           HA       THR  22   0.629  25.353 -13.100
  183    HB   THR  22           HB       THR  22   1.862  27.027 -11.684
  184    HG1  THR  22           HG1      THR  22   2.517  25.296 -10.833
  185   1HG2  THR  22          1HG2      THR  22  -0.433  26.614  -9.716
  186   2HG2  THR  22          2HG2      THR  22   1.083  27.488  -9.431
  187   3HG2  THR  22          3HG2      THR  22  -0.096  28.128 -10.593
  188    H    ASP  23           H        ASP  23  -0.172  23.870 -11.320
  189    HA   ASP  23           HA       ASP  23  -3.031  23.472 -11.799
  190   1HB   ASP  23          1HB       ASP  23  -1.225  21.666 -11.757
  191   2HB   ASP  23          2HB       ASP  23  -1.193  21.837 -10.007
  192    H    SER  24           H        SER  24  -4.696  23.703 -10.380
  193    HA   SER  24           HA       SER  24  -4.357  25.317  -7.981
  194   1HB   SER  24          1HB       SER  24  -6.810  25.236  -7.975
  195   2HB   SER  24          2HB       SER  24  -6.217  25.530  -9.622
  196    HG   SER  24           HG       SER  24  -7.652  23.966  -9.880
  197    H    GLY  25           H        GLY  25  -4.025  21.927  -8.362
  198   1HA   GLY  25          1HA       GLY  25  -4.096  20.207  -6.822
  199   2HA   GLY  25          2HA       GLY  25  -4.714  21.291  -5.573
  200    H    HIS  26           H        HIS  26  -6.646  21.882  -8.217
  201    HA   HIS  26           HA       HIS  26  -8.692  19.837  -7.476
  202   1HB   HIS  26          1HB       HIS  26  -9.117  22.716  -8.374
  203   2HB   HIS  26          2HB       HIS  26 -10.352  21.562  -7.932
  204    HD1  HIS  26           HD1      HIS  26  -7.322  23.266  -6.061
  205    HD2  HIS  26           HD2      HIS  26 -11.235  21.747  -5.537
  206    HE1  HIS  26           HE1      HIS  26  -8.006  23.792  -3.678
  207    H    ASP  27           H        ASP  27  -6.562  19.928  -9.670
  208    HA   ASP  27           HA       ASP  27  -6.234  19.496 -11.866
  209   1HB   ASP  27          1HB       ASP  27  -9.053  18.381 -11.895
  210   2HB   ASP  27          2HB       ASP  27  -7.744  18.020 -13.022
  211    H    THR  28           H        THR  28  -7.394  22.073 -11.061
  212    HA   THR  28           HA       THR  28  -8.082  23.079 -13.783
  213    HB   THR  28           HB       THR  28  -9.045  25.063 -12.763
  214    HG1  THR  28           HG1      THR  28  -9.272  25.344 -10.592
  215   1HG2  THR  28          1HG2      THR  28 -10.601  23.154 -13.116
  216   2HG2  THR  28          2HG2      THR  28 -10.277  22.592 -11.465
  217   3HG2  THR  28          3HG2      THR  28 -11.065  24.154 -11.726
  218    H    VAL  29           H        VAL  29  -7.142  25.312 -14.125
  219    HA   VAL  29           HA       VAL  29  -4.307  25.312 -13.229
  220    HB   VAL  29           HB       VAL  29  -5.359  25.994 -15.994
  221   1HG1  VAL  29          1HG1      VAL  29  -2.546  25.509 -14.906
  222   2HG1  VAL  29          2HG1      VAL  29  -2.960  25.798 -16.603
  223   3HG1  VAL  29          3HG1      VAL  29  -3.214  27.078 -15.408
  224   1HG2  VAL  29          1HG2      VAL  29  -4.048  23.424 -15.008
  225   2HG2  VAL  29          2HG2      VAL  29  -5.712  23.585 -15.603
  226   3HG2  VAL  29          3HG2      VAL  29  -4.373  23.848 -16.712
  227    H    VAL  30           H        VAL  30  -3.769  27.054 -12.192
  228    HA   VAL  30           HA       VAL  30  -5.358  29.571 -12.480
  229    HB   VAL  30           HB       VAL  30  -4.414  30.195 -10.266
  230   1HG1  VAL  30          1HG1      VAL  30  -6.085  27.656 -10.333
  231   2HG1  VAL  30          2HG1      VAL  30  -5.945  28.769  -8.957
  232   3HG1  VAL  30          3HG1      VAL  30  -6.675  29.322 -10.470
  233   1HG2  VAL  30          1HG2      VAL  30  -2.456  28.662 -10.168
  234   2HG2  VAL  30          2HG2      VAL  30  -3.515  28.499  -8.759
  235   3HG2  VAL  30          3HG2      VAL  30  -3.558  27.275 -10.038
  236    H    MET  31           H        MET  31  -4.369  31.510 -12.801
  237    HA   MET  31           HA       MET  31  -1.464  31.775 -12.767
  238   1HB   MET  31          1HB       MET  31  -1.138  32.376 -15.093
  239   2HB   MET  31          2HB       MET  31  -1.904  30.795 -15.031
  240   1HG   MET  31          1HG       MET  31  -4.108  32.130 -15.166
  241   2HG   MET  31          2HG       MET  31  -3.097  33.413 -15.856
  242   1HE   MET  31          1HE       MET  31  -3.388  29.456 -16.045
  243   2HE   MET  31          2HE       MET  31  -5.011  30.174 -16.105
  244   3HE   MET  31          3HE       MET  31  -4.362  29.316 -17.517
  245    H    GLU  32           H        GLU  32  -0.809  34.032 -13.313
  246    HA   GLU  32           HA       GLU  32  -2.921  36.056 -13.093
  247   1HB   GLU  32          1HB       GLU  32  -2.178  35.089 -10.756
  248   2HB   GLU  32          2HB       GLU  32  -0.737  36.091 -11.003
  249   1HG   GLU  32          1HG       GLU  32  -2.212  38.074 -11.276
  250   2HG   GLU  32          2HG       GLU  32  -3.617  37.056 -10.963
  251    H    VAL  33           H        VAL  33  -2.232  38.148 -13.671
  252    HA   VAL  33           HA       VAL  33   0.597  38.417 -14.625
  253    HB   VAL  33           HB       VAL  33  -0.248  39.575 -16.633
  254   1HG1  VAL  33          1HG1      VAL  33   0.443  37.157 -16.536
  255   2HG1  VAL  33          2HG1      VAL  33  -1.276  36.730 -16.442
  256   3HG1  VAL  33          3HG1      VAL  33  -0.616  37.590 -17.858
  257   1HG2  VAL  33          1HG2      VAL  33  -2.555  39.353 -17.331
  258   2HG2  VAL  33          2HG2      VAL  33  -2.977  38.458 -15.868
  259   3HG2  VAL  33          3HG2      VAL  33  -2.519  40.175 -15.773
  260    H    ALA  34           H        ALA  34   1.291  40.483 -15.224
  261    HA   ALA  34           HA       ALA  34  -0.084  42.814 -14.023
  262   1HB   ALA  34          1HB       ALA  34   1.765  42.298 -12.505
  263   2HB   ALA  34          2HB       ALA  34   2.901  42.216 -13.863
  264   3HB   ALA  34          3HB       ALA  34   2.145  43.764 -13.433
  265    H    PHE  35           H        PHE  35   0.127  44.712 -15.297
  266    HA   PHE  35           HA       PHE  35   0.800  44.139 -18.146
  267   1HB   PHE  35          1HB       PHE  35  -1.499  43.493 -17.612
  268   2HB   PHE  35          2HB       PHE  35  -1.809  45.091 -16.924
  269    HD1  PHE  35           HD1      PHE  35  -0.426  43.646 -20.129
  270    HD2  PHE  35           HD2      PHE  35  -3.075  46.529 -18.306
  271    HE1  PHE  35           HE1      PHE  35  -1.067  44.475 -22.350
  272    HE2  PHE  35           HE2      PHE  35  -3.673  47.354 -20.572
  273    HZ   PHE  35           HZ       PHE  35  -2.604  46.434 -22.560
  274    H    SER  36           H        SER  36   1.804  45.676 -19.157
  275    HA   SER  36           HA       SER  36   2.271  48.248 -17.884
  276   1HB   SER  36          1HB       SER  36   3.447  47.585 -20.562
  277   2HB   SER  36          2HB       SER  36   4.137  48.433 -19.191
  278    HG   SER  36           HG       SER  36   3.715  45.619 -19.496
  279    H    GLY  37           H        GLY  37  -0.241  47.402 -19.849
  280   1HA   GLY  37          1HA       GLY  37  -0.273  49.926 -21.452
  281   2HA   GLY  37          2HA       GLY  37  -1.155  48.452 -21.825
  282    H    THR  38           H        THR  38  -3.084  49.696 -22.047
  283    HA   THR  38           HA       THR  38  -4.226  51.605 -20.491
  284    HB   THR  38           HB       THR  38  -6.338  49.920 -21.422
  285    HG1  THR  38           HG1      THR  38  -5.673  49.460 -23.501
  286   1HG2  THR  38          1HG2      THR  38  -6.230  52.380 -21.632
  287   2HG2  THR  38          2HG2      THR  38  -4.947  52.212 -22.857
  288   3HG2  THR  38          3HG2      THR  38  -6.583  51.593 -23.178
  289    H    LYS  39           H        LYS  39  -5.739  51.759 -18.847
  290    HA   LYS  39           HA       LYS  39  -6.701  49.263 -17.583
  291   1HB   LYS  39          1HB       LYS  39  -5.984  51.667 -15.904
  292   2HB   LYS  39          2HB       LYS  39  -6.437  50.040 -15.400
  293   1HG   LYS  39          1HG       LYS  39  -3.799  50.750 -16.745
  294   2HG   LYS  39          2HG       LYS  39  -4.063  50.698 -15.007
  295   1HD   LYS  39          1HD       LYS  39  -4.715  48.296 -15.163
  296   2HD   LYS  39          2HD       LYS  39  -4.314  48.308 -16.875
  297   1HE   LYS  39          HE2       LYS  39  -2.414  48.827 -14.552
  298   2HE   LYS  39          HE3       LYS  39  -2.498  47.373 -15.547
  299   1HZ   LYS  39          HZ1       LYS  39  -2.026  49.117 -17.462
  300   2HZ   LYS  39          HZ2       LYS  39  -1.383  49.982 -16.242
  301   3HZ   LYS  39          HZ3       LYS  39  -0.810  48.459 -16.563
  302    HA   PRO  40           HA       PRO  40  -8.604  48.506 -16.745
  303   1HB   PRO  40          1HB       PRO  40 -11.102  47.784 -17.470
  304   2HB   PRO  40          2HB       PRO  40 -10.840  48.902 -16.095
  305   1HG   PRO  40          1HG       PRO  40 -11.509  49.622 -18.976
  306   2HG   PRO  40          2HG       PRO  40 -12.322  50.192 -17.481
  307   1HD   PRO  40          1HD       PRO  40 -10.337  51.608 -18.753
  308   2HD   PRO  40          2HD       PRO  40 -10.583  51.673 -16.988
  309    H    CYS  41           H        CYS  41  -8.679  46.448 -17.962
  310    HA   CYS  41           HA       CYS  41  -9.672  46.504 -20.690
  311   1HB   CYS  41          1HB       CYS  41  -7.667  45.672 -21.799
  312   2HB   CYS  41          2HB       CYS  41  -7.409  47.265 -21.116
  313    H    ARG  42           H        ARG  42  -9.906  44.412 -21.621
  314    HA   ARG  42           HA       ARG  42 -10.351  42.165 -19.730
  315   1HB   ARG  42          1HB       ARG  42 -11.976  42.787 -21.578
  316   2HB   ARG  42          2HB       ARG  42 -10.721  42.358 -22.747
  317   1HG   ARG  42          1HG       ARG  42 -10.725  40.012 -21.462
  318   2HG   ARG  42          2HG       ARG  42 -12.280  40.573 -20.858
  319   1HD   ARG  42          1HD       ARG  42 -11.410  39.963 -23.687
  320   2HD   ARG  42          2HD       ARG  42 -12.761  39.267 -22.799
  321    HE   ARG  42           HE       ARG  42 -12.602  41.974 -24.052
  322   1HH1  ARG  42          1HH1      ARG  42 -14.805  39.679 -22.396
  323   2HH1  ARG  42          2HH1      ARG  42 -16.153  40.736 -22.846
  324   1HH2  ARG  42          1HH2      ARG  42 -14.339  43.312 -23.929
  325   2HH2  ARG  42          2HH2      ARG  42 -15.923  42.583 -23.670
  326    H    ILE  43           H        ILE  43  -8.970  40.499 -19.528
  327    HA   ILE  43           HA       ILE  43  -6.354  40.727 -20.754
  328    HB   ILE  43           HB       ILE  43  -7.431  38.604 -18.878
  329   1HG1  ILE  43          2HG1      ILE  43  -5.839  41.184 -18.429
  330   2HG1  ILE  43          3HG1      ILE  43  -7.493  40.891 -17.911
  331   1HG2  ILE  43          1HG2      ILE  43  -5.115  37.992 -18.553
  332   2HG2  ILE  43          2HG2      ILE  43  -5.352  38.050 -20.298
  333   3HG2  ILE  43          3HG2      ILE  43  -4.551  39.390 -19.478
  334   1HD1  ILE  43          1HD1      ILE  43  -5.047  39.481 -16.808
  335   2HD1  ILE  43          2HD1      ILE  43  -5.991  40.763 -16.048
  336   3HD1  ILE  43          3HD1      ILE  43  -6.727  39.174 -16.318
  337    HA   PRO  44           HA       PRO  44  -7.786  38.284 -24.302
  338   1HB   PRO  44          1HB       PRO  44  -5.610  38.518 -25.911
  339   2HB   PRO  44          2HB       PRO  44  -6.671  39.915 -25.541
  340   1HG   PRO  44          1HG       PRO  44  -4.089  39.155 -24.129
  341   2HG   PRO  44          2HG       PRO  44  -4.509  40.726 -24.851
  342   1HD   PRO  44          1HD       PRO  44  -4.851  40.166 -22.214
  343   2HD   PRO  44          2HD       PRO  44  -6.047  41.168 -23.109
  344    H    VAL  45           H        VAL  45  -7.944  36.398 -23.132
  345    HA   VAL  45           HA       VAL  45  -5.525  34.718 -22.747
  346    HB   VAL  45           HB       VAL  45  -7.864  35.543 -21.112
  347   1HG1  VAL  45          1HG1      VAL  45  -6.753  32.748 -20.752
  348   2HG1  VAL  45          2HG1      VAL  45  -7.731  33.646 -19.571
  349   3HG1  VAL  45          3HG1      VAL  45  -8.439  33.190 -21.128
  350   1HG2  VAL  45          1HG2      VAL  45  -5.247  36.016 -21.021
  351   2HG2  VAL  45          2HG2      VAL  45  -6.224  35.881 -19.564
  352   3HG2  VAL  45          3HG2      VAL  45  -5.226  34.499 -20.119
  353    H    ARG  46           H        ARG  46  -5.396  32.697 -23.130
  354    HA   ARG  46           HA       ARG  46  -7.528  30.971 -24.011
  355   1HB   ARG  46          1HB       ARG  46  -6.559  30.559 -26.300
  356   2HB   ARG  46          2HB       ARG  46  -7.263  32.168 -26.120
  357   1HG   ARG  46          1HG       ARG  46  -4.937  33.049 -25.675
  358   2HG   ARG  46          2HG       ARG  46  -4.319  31.431 -26.072
  359   1HD   ARG  46          1HD       ARG  46  -4.904  31.671 -28.355
  360   2HD   ARG  46          2HD       ARG  46  -5.949  33.065 -28.024
  361    HE   ARG  46           HE       ARG  46  -3.843  34.245 -27.237
  362   1HH1  ARG  46          1HH1      ARG  46  -3.503  31.902 -29.877
  363   2HH1  ARG  46          2HH1      ARG  46  -1.991  32.624 -30.358
  364   1HH2  ARG  46          1HH2      ARG  46  -1.935  35.024 -27.867
  365   2HH2  ARG  46          2HH2      ARG  46  -1.141  34.481 -29.304
  366    H    ALA  47           H        ALA  47  -6.745  28.819 -24.329
  367    HA   ALA  47           HA       ALA  47  -3.853  28.297 -23.789
  368   1HB   ALA  47          1HB       ALA  47  -6.205  26.645 -22.774
  369   2HB   ALA  47          2HB       ALA  47  -4.495  26.208 -22.664
  370   3HB   ALA  47          3HB       ALA  47  -5.105  27.621 -21.769
  371    H    VAL  48           H        VAL  48  -2.997  27.550 -25.659
  372    HA   VAL  48           HA       VAL  48  -4.931  26.310 -27.570
  373    HB   VAL  48           HB       VAL  48  -3.669  27.060 -29.377
  374   1HG1  VAL  48          1HG1      VAL  48  -3.956  29.485 -29.122
  375   2HG1  VAL  48          2HG1      VAL  48  -5.297  28.612 -28.365
  376   3HG1  VAL  48          3HG1      VAL  48  -4.010  29.328 -27.366
  377   1HG2  VAL  48          1HG2      VAL  48  -1.660  28.277 -27.456
  378   2HG2  VAL  48          2HG2      VAL  48  -1.361  26.931 -28.583
  379   3HG2  VAL  48          3HG2      VAL  48  -1.724  28.535 -29.212
  380    H    ALA  49           H        ALA  49  -4.869  24.262 -27.916
  381    HA   ALA  49           HA       ALA  49  -2.978  22.581 -26.575
  382   1HB   ALA  49          1HB       ALA  49  -5.044  21.955 -28.727
  383   2HB   ALA  49          2HB       ALA  49  -4.191  20.754 -27.726
  384   3HB   ALA  49          3HB       ALA  49  -5.287  21.915 -26.960
  385    H    HIS  50           H        HIS  50  -1.349  21.289 -27.317
  386    HA   HIS  50           HA       HIS  50   0.469  22.204 -29.142
  387   1HB   HIS  50          1HB       HIS  50   0.764  20.556 -27.311
  388   2HB   HIS  50          2HB       HIS  50   0.091  19.296 -28.342
  389    HD1  HIS  50           HD1      HIS  50   3.273  20.804 -27.353
  390    HD2  HIS  50           HD2      HIS  50   1.642  19.003 -30.813
  391    HE1  HIS  50           HE1      HIS  50   5.251  20.181 -28.896
  392    H    GLY  51           H        GLY  51  -0.198  22.769 -31.143
  393   1HA   GLY  51          1HA       GLY  51   0.201  21.796 -33.443
  394   2HA   GLY  51          2HA       GLY  51  -1.057  20.627 -33.064
  395    H    ALA  52           H        ALA  52  -2.441  23.219 -31.653
  396    HA   ALA  52           HA       ALA  52  -3.478  24.408 -34.209
  397   1HB   ALA  52          1HB       ALA  52  -5.148  23.281 -31.937
  398   2HB   ALA  52          2HB       ALA  52  -5.758  24.136 -33.371
  399   3HB   ALA  52          3HB       ALA  52  -4.944  22.571 -33.557
  400    HA   PRO  53           HA       PRO  53  -2.276  27.759 -31.204
  401   1HB   PRO  53          1HB       PRO  53  -1.816  29.195 -33.797
  402   2HB   PRO  53          2HB       PRO  53  -0.794  29.156 -32.328
  403   1HG   PRO  53          1HG       PRO  53  -0.124  27.732 -34.551
  404   2HG   PRO  53          2HG       PRO  53   0.102  27.035 -32.912
  405   1HD   PRO  53          1HD       PRO  53  -2.168  26.557 -34.858
  406   2HD   PRO  53          2HD       PRO  53  -1.236  25.372 -33.899
  407    H    ASP  54           H        ASP  54  -4.398  27.708 -33.988
  408    HA   ASP  54           HA       ASP  54  -5.943  30.031 -33.620
  409   1HB   ASP  54          1HB       ASP  54  -6.840  27.350 -34.753
  410   2HB   ASP  54          2HB       ASP  54  -7.385  28.955 -35.230
  411    H    VAL  55           H        VAL  55  -6.065  26.924 -31.917
  412    HA   VAL  55           HA       VAL  55  -8.931  27.371 -31.201
  413    HB   VAL  55           HB       VAL  55  -7.363  24.774 -31.252
  414   1HG1  VAL  55          1HG1      VAL  55  -9.118  24.715 -29.510
  415   2HG1  VAL  55          2HG1      VAL  55 -10.307  25.364 -30.655
  416   3HG1  VAL  55          3HG1      VAL  55  -9.614  23.743 -30.894
  417   1HG2  VAL  55          1HG2      VAL  55  -8.913  24.224 -33.126
  418   2HG2  VAL  55          2HG2      VAL  55  -9.565  25.876 -33.061
  419   3HG2  VAL  55          3HG2      VAL  55  -7.873  25.596 -33.521
  420    H    ASP  56           H        ASP  56  -8.981  28.530 -29.426
  421    HA   ASP  56           HA       ASP  56  -7.486  27.963 -27.021
  422   1HB   ASP  56          1HB       ASP  56  -8.646  30.122 -27.444
  423   2HB   ASP  56          2HB       ASP  56 -10.206  29.292 -27.365
  424    H    VAL  57           H        VAL  57  -7.660  26.245 -25.811
  425    HA   VAL  57           HA       VAL  57 -10.178  24.641 -25.677
  426    HB   VAL  57           HB       VAL  57  -8.895  22.776 -24.922
  427   1HG1  VAL  57          1HG1      VAL  57  -7.595  23.892 -27.432
  428   2HG1  VAL  57          2HG1      VAL  57  -7.709  22.188 -26.946
  429   3HG1  VAL  57          3HG1      VAL  57  -9.178  23.090 -27.357
  430   1HG2  VAL  57          1HG2      VAL  57  -6.276  24.216 -25.418
  431   2HG2  VAL  57          2HG2      VAL  57  -6.991  24.093 -23.795
  432   3HG2  VAL  57          3HG2      VAL  57  -6.550  22.640 -24.700
  433    H    ALA  58           H        ALA  58  -8.876  27.168 -24.010
  434    HA   ALA  58           HA       ALA  58  -8.950  26.177 -21.296
  435   1HB   ALA  58          1HB       ALA  58  -7.725  28.228 -21.956
  436   2HB   ALA  58          2HB       ALA  58  -9.258  29.000 -22.413
  437   3HB   ALA  58          3HB       ALA  58  -8.953  28.576 -20.723
  438    H    MET  59           H        MET  59 -10.602  25.934 -19.939
  439    HA   MET  59           HA       MET  59 -13.282  27.118 -20.565
  440   1HB   MET  59          1HB       MET  59 -12.668  24.644 -18.917
  441   2HB   MET  59          2HB       MET  59 -14.256  25.249 -19.408
  442   1HG   MET  59          1HG       MET  59 -13.632  24.864 -21.795
  443   2HG   MET  59          2HG       MET  59 -12.086  24.195 -21.275
  444   1HE   MET  59          1HE       MET  59 -13.008  20.854 -19.548
  445   2HE   MET  59          2HE       MET  59 -11.748  22.062 -19.900
  446   3HE   MET  59          3HE       MET  59 -12.979  22.385 -18.654
  447    H    LEU  60           H        LEU  60 -13.002  29.047 -19.540
  448    HA   LEU  60           HA       LEU  60 -11.511  29.539 -17.194
  449   1HB   LEU  60          1HB       LEU  60 -13.718  31.129 -18.531
  450   2HB   LEU  60          2HB       LEU  60 -12.660  31.767 -17.282
  451    HG   LEU  60           HG       LEU  60 -11.320  30.549 -19.693
  452   1HD1  LEU  60          1HD1      LEU  60 -11.500  32.635 -20.945
  453   2HD1  LEU  60          2HD1      LEU  60 -13.092  31.911 -20.695
  454   3HD1  LEU  60          3HD1      LEU  60 -12.596  33.308 -19.710
  455   1HD2  LEU  60          1HD2      LEU  60 -10.034  31.451 -17.730
  456   2HD2  LEU  60          2HD2      LEU  60  -9.674  32.253 -19.268
  457   3HD2  LEU  60          3HD2      LEU  60 -10.716  33.054 -18.073
  458    H    ILE  61           H        ILE  61 -11.881  29.153 -15.151
  459    HA   ILE  61           HA       ILE  61 -14.551  28.253 -14.192
  460    HB   ILE  61           HB       ILE  61 -11.815  28.176 -12.878
  461   1HG1  ILE  61          2HG1      ILE  61 -11.714  26.721 -14.778
  462   2HG1  ILE  61          3HG1      ILE  61 -11.825  25.743 -13.338
  463   1HG2  ILE  61          1HG2      ILE  61 -13.489  28.118 -11.150
  464   2HG2  ILE  61          2HG2      ILE  61 -14.429  26.886 -12.018
  465   3HG2  ILE  61          3HG2      ILE  61 -12.832  26.497 -11.336
  466   1HD1  ILE  61          1HD1      ILE  61 -14.263  25.355 -13.810
  467   2HD1  ILE  61          2HD1      ILE  61 -14.090  26.305 -15.307
  468   3HD1  ILE  61          3HD1      ILE  61 -13.201  24.791 -15.109
  469    H    THR  62           H        THR  62 -12.203  30.812 -13.714
  470    HA   THR  62           HA       THR  62 -14.130  32.337 -12.017
  471    HB   THR  62           HB       THR  62 -11.728  32.484 -11.405
  472    HG1  THR  62           HG1      THR  62 -12.871  34.237 -10.875
  473   1HG2  THR  62          1HG2      THR  62 -10.805  32.314 -13.722
  474   2HG2  THR  62          2HG2      THR  62 -11.336  33.950 -14.050
  475   3HG2  THR  62          3HG2      THR  62 -10.144  33.662 -12.754
  476    HA   PRO  63           HA       PRO  63 -15.815  34.180 -15.720
  477   1HB   PRO  63          1HB       PRO  63 -15.689  36.815 -14.236
  478   2HB   PRO  63          2HB       PRO  63 -17.042  36.122 -15.184
  479   1HG   PRO  63          1HG       PRO  63 -17.080  35.975 -12.487
  480   2HG   PRO  63          2HG       PRO  63 -17.534  34.536 -13.460
  481   1HD   PRO  63          1HD       PRO  63 -14.892  35.140 -12.116
  482   2HD   PRO  63          2HD       PRO  63 -15.830  33.613 -12.138
  483    H    ASN  64           H        ASN  64 -15.531  35.792 -17.310
  484    HA   ASN  64           HA       ASN  64 -13.363  36.235 -18.763
  485   1HB   ASN  64          1HB       ASN  64 -15.507  36.865 -19.489
  486   2HB   ASN  64          2HB       ASN  64 -15.740  37.994 -18.161
  487   1HD2  ASN  64          2HD2      ASN  64 -14.150  39.867 -18.137
  488   2HD2  ASN  64          1HD2      ASN  64 -14.106  40.731 -19.682
  489    HA   PRO  65           HA       PRO  65 -10.986  38.282 -15.546
  490   1HB   PRO  65          1HB       PRO  65  -8.436  37.800 -16.441
  491   2HB   PRO  65          2HB       PRO  65  -9.478  36.575 -15.666
  492   1HG   PRO  65          1HG       PRO  65  -9.050  37.031 -18.638
  493   2HG   PRO  65          2HG       PRO  65  -8.976  35.485 -17.732
  494   1HD   PRO  65          1HD       PRO  65 -11.203  36.259 -19.067
  495   2HD   PRO  65          2HD       PRO  65 -11.320  35.412 -17.493
  496    H    THR  66           H        THR  66 -10.075  40.253 -15.155
  497    HA   THR  66           HA       THR  66  -9.474  42.024 -17.454
  498    HB   THR  66           HB       THR  66 -10.473  43.887 -16.120
  499    HG1  THR  66           HG1      THR  66 -11.985  43.307 -14.519
  500   1HG2  THR  66          1HG2      THR  66 -11.731  42.939 -17.977
  501   2HG2  THR  66          2HG2      THR  66 -12.379  41.654 -16.932
  502   3HG2  THR  66          3HG2      THR  66 -12.815  43.348 -16.636
  503    H    MET  67           H        MET  67  -8.127  43.717 -17.087
  504    HA   MET  67           HA       MET  67  -6.441  43.646 -14.636
  505   1HB   MET  67          1HB       MET  67  -5.537  43.447 -17.284
  506   2HB   MET  67          2HB       MET  67  -5.309  45.160 -16.903
  507   1HG   MET  67          1HG       MET  67  -4.432  42.853 -15.117
  508   2HG   MET  67          2HG       MET  67  -3.384  43.594 -16.307
  509   1HE   MET  67          1HE       MET  67  -2.728  44.588 -12.294
  510   2HE   MET  67          2HE       MET  67  -3.680  43.211 -12.878
  511   3HE   MET  67          3HE       MET  67  -2.073  43.524 -13.565
  512    H    GLU  68           H        GLU  68  -6.764  45.307 -13.308
  513    HA   GLU  68           HA       GLU  68  -9.021  47.087 -14.064
  514   1HB   GLU  68          1HB       GLU  68  -9.618  45.441 -12.468
  515   2HB   GLU  68          2HB       GLU  68  -8.121  45.591 -11.600
  516   1HG   GLU  68          1HG       GLU  68  -9.714  46.465 -10.188
  517   2HG   GLU  68          2HG       GLU  68  -8.839  47.863 -10.773
  518    H    ASN  69           H        ASN  69  -9.146  49.176 -13.010
  519    HA   ASN  69           HA       ASN  69  -6.826  50.755 -13.515
  520   1HB   ASN  69          1HB       ASN  69  -9.445  51.329 -12.104
  521   2HB   ASN  69          2HB       ASN  69  -8.196  52.564 -12.319
  522   1HD2  ASN  69          1HD2      ASN  69  -7.654  53.302 -14.446
  523   2HD2  ASN  69          2HD2      ASN  69  -8.597  52.819 -15.849
  524    H    ASN  70           H        ASN  70  -7.575  49.112 -10.573
  525    HA   ASN  70           HA       ASN  70  -4.976  50.035  -9.526
  526   1HB   ASN  70          1HB       ASN  70  -7.006  51.514  -8.721
  527   2HB   ASN  70          2HB       ASN  70  -7.339  50.171  -7.630
  528   1HD2  ASN  70          1HD2      ASN  70  -5.015  49.397  -6.597
  529   2HD2  ASN  70          2HD2      ASN  70  -4.148  50.800  -5.893
  530    H    GLY  71           H        GLY  71  -5.983  47.438 -10.639
  531   1HA   GLY  71          1HA       GLY  71  -5.030  45.587  -8.676
  532   2HA   GLY  71          2HA       GLY  71  -6.797  45.629  -8.628
  533    H    GLY  72           H        GLY  72  -6.654  43.358  -9.249
  534   1HA   GLY  72          1HA       GLY  72  -7.627  42.044 -10.918
  535   2HA   GLY  72          2HA       GLY  72  -7.099  43.185 -12.150
  536    H    GLY  73           H        GLY  73  -6.716  41.124 -13.268
  537   1HA   GLY  73          1HA       GLY  73  -4.792  40.215 -14.362
  538   2HA   GLY  73          2HA       GLY  73  -3.896  40.248 -12.873
  539    H    PHE  74           H        PHE  74  -6.744  38.823 -11.895
  540    HA   PHE  74           HA       PHE  74  -5.322  36.251 -11.955
  541   1HB   PHE  74          1HB       PHE  74  -5.955  37.217  -9.788
  542   2HB   PHE  74          2HB       PHE  74  -7.664  37.086 -10.226
  543    HD1  PHE  74           HD1      PHE  74  -4.518  35.047  -9.872
  544    HD2  PHE  74           HD2      PHE  74  -8.835  35.000  -9.901
  545    HE1  PHE  74           HE1      PHE  74  -4.503  32.611  -9.435
  546    HE2  PHE  74           HE2      PHE  74  -8.802  32.563  -9.418
  547    HZ   PHE  74           HZ       PHE  74  -6.643  31.372  -9.190
  548    H    ILE  75           H        ILE  75  -5.894  34.356 -12.562
  549    HA   ILE  75           HA       ILE  75  -8.429  33.897 -14.038
  550    HB   ILE  75           HB       ILE  75  -5.640  33.278 -14.944
  551   1HG1  ILE  75          2HG1      ILE  75  -7.397  35.525 -15.892
  552   2HG1  ILE  75          3HG1      ILE  75  -5.857  35.666 -15.039
  553   1HG2  ILE  75          1HG2      ILE  75  -7.348  31.669 -15.793
  554   2HG2  ILE  75          2HG2      ILE  75  -8.269  33.033 -16.469
  555   3HG2  ILE  75          3HG2      ILE  75  -6.658  32.598 -17.086
  556   1HD1  ILE  75          1HD1      ILE  75  -5.456  36.124 -17.325
  557   2HD1  ILE  75          2HD1      ILE  75  -4.695  34.573 -16.936
  558   3HD1  ILE  75          3HD1      ILE  75  -6.232  34.608 -17.824
  559    H    GLU  76           H        GLU  76  -9.174  31.885 -13.873
  560    HA   GLU  76           HA       GLU  76  -7.480  29.601 -13.220
  561   1HB   GLU  76          1HB       GLU  76  -8.734  30.155 -11.109
  562   2HB   GLU  76          2HB       GLU  76 -10.250  29.990 -12.014
  563   1HG   GLU  76          1HG       GLU  76  -9.595  27.624 -12.597
  564   2HG   GLU  76          2HG       GLU  76  -8.135  27.810 -11.644
  565    H    MET  77           H        MET  77  -7.819  28.061 -14.747
  566    HA   MET  77           HA       MET  77 -10.395  27.901 -16.207
  567   1HB   MET  77          1HB       MET  77  -9.099  27.624 -18.356
  568   2HB   MET  77          2HB       MET  77  -9.119  29.264 -17.709
  569   1HG   MET  77          1HG       MET  77  -6.872  29.095 -16.897
  570   2HG   MET  77          2HG       MET  77  -6.840  27.357 -17.137
  571   1HE   MET  77          1HE       MET  77  -6.261  30.864 -18.734
  572   2HE   MET  77          2HE       MET  77  -6.375  30.517 -20.473
  573   3HE   MET  77          3HE       MET  77  -7.835  30.452 -19.461
  574    H    GLN  78           H        GLN  78 -10.764  25.814 -17.172
  575    HA   GLN  78           HA       GLN  78  -8.820  23.686 -16.348
  576   1HB   GLN  78          1HB       GLN  78 -11.052  23.593 -15.249
  577   2HB   GLN  78          2HB       GLN  78 -11.804  23.342 -16.825
  578   1HG   GLN  78          1HG       GLN  78 -10.770  21.205 -17.090
  579   2HG   GLN  78          2HG       GLN  78  -9.532  21.553 -15.873
  580   1HE2  GLN  78          2HE2      GLN  78  -9.807  20.439 -13.971
  581   2HE2  GLN  78          1HE2      GLN  78 -11.414  20.028 -13.346
  582    H    LEU  79           H        LEU  79  -8.425  21.987 -17.854
  583    HA   LEU  79           HA       LEU  79  -8.761  22.743 -20.707
  584   1HB   LEU  79          1HB       LEU  79  -6.187  22.349 -19.133
  585   2HB   LEU  79          2HB       LEU  79  -6.267  22.325 -20.885
  586    HG   LEU  79           HG       LEU  79  -7.061  24.751 -20.791
  587   1HD1  LEU  79          1HD1      LEU  79  -6.516  24.283 -17.861
  588   2HD1  LEU  79          2HD1      LEU  79  -5.885  25.774 -18.558
  589   3HD1  LEU  79          3HD1      LEU  79  -7.605  25.445 -18.654
  590   1HD2  LEU  79          1HD2      LEU  79  -4.829  24.034 -21.436
  591   2HD2  LEU  79          2HD2      LEU  79  -4.717  25.500 -20.457
  592   3HD2  LEU  79          3HD2      LEU  79  -4.327  23.933 -19.729
  593    HA   PRO  80           HA       PRO  80  -8.578  18.236 -21.231
  594   1HB   PRO  80          1HB       PRO  80  -7.504  18.113 -23.780
  595   2HB   PRO  80          2HB       PRO  80  -9.229  18.383 -23.388
  596   1HG   PRO  80          1HG       PRO  80  -7.117  20.427 -24.078
  597   2HG   PRO  80          2HG       PRO  80  -8.817  20.339 -24.642
  598   1HD   PRO  80          1HD       PRO  80  -8.023  21.999 -22.631
  599   2HD   PRO  80          2HD       PRO  80  -9.631  21.220 -22.618
  600    HA   PRO  81           HA       PRO  81  -4.347  17.671 -19.686
  601   1HB   PRO  81          1HB       PRO  81  -5.091  14.836 -20.435
  602   2HB   PRO  81          2HB       PRO  81  -4.202  15.415 -18.988
  603   1HG   PRO  81          1HG       PRO  81  -6.830  14.855 -18.790
  604   2HG   PRO  81          2HG       PRO  81  -6.199  16.372 -18.062
  605   1HD   PRO  81          1HD       PRO  81  -7.648  16.007 -20.691
  606   2HD   PRO  81          2HD       PRO  81  -7.853  17.272 -19.439
  607    H    GLY  82           H        GLY  82  -2.258  17.134 -20.486
  608   1HA   GLY  82          1HA       GLY  82  -0.949  16.150 -22.454
  609   2HA   GLY  82          2HA       GLY  82  -2.092  17.016 -23.489
  610    H    ASP  83           H        ASP  83  -0.507  18.358 -24.451
  611    HA   ASP  83           HA       ASP  83   0.841  20.350 -22.676
  612   1HB   ASP  83          1HB       ASP  83   2.431  19.104 -24.010
  613   2HB   ASP  83          2HB       ASP  83   1.527  19.436 -25.487
  614    H    ASN  84           H        ASN  84  -0.086  22.242 -22.559
  615    HA   ASN  84           HA       ASN  84  -1.603  23.322 -24.899
  616   1HB   ASN  84          1HB       ASN  84  -2.393  23.526 -21.968
  617   2HB   ASN  84          2HB       ASN  84  -3.221  24.275 -23.338
  618   1HD2  ASN  84          2HD2      ASN  84  -3.058  21.447 -21.387
  619   2HD2  ASN  84          1HD2      ASN  84  -4.278  20.556 -22.311
  620    H    ILE  85           H        ILE  85  -0.782  25.188 -25.576
  621    HA   ILE  85           HA       ILE  85   1.185  26.649 -23.922
  622    HB   ILE  85           HB       ILE  85   0.286  27.127 -26.789
  623   1HG1  ILE  85          2HG1      ILE  85   2.928  26.398 -26.910
  624   2HG1  ILE  85          3HG1      ILE  85   2.427  25.449 -25.522
  625   1HG2  ILE  85          1HG2      ILE  85   1.063  29.199 -25.725
  626   2HG2  ILE  85          2HG2      ILE  85   2.523  28.368 -25.126
  627   3HG2  ILE  85          3HG2      ILE  85   2.270  28.620 -26.869
  628   1HD1  ILE  85          1HD1      ILE  85   0.639  24.387 -26.934
  629   2HD1  ILE  85          2HD1      ILE  85   1.193  25.369 -28.309
  630   3HD1  ILE  85          3HD1      ILE  85   2.264  24.150 -27.589
  631    H    ILE  86           H        ILE  86   0.250  27.729 -22.345
  632    HA   ILE  86           HA       ILE  86  -2.371  29.029 -22.724
  633    HB   ILE  86           HB       ILE  86  -0.701  28.936 -20.211
  634   1HG1  ILE  86          2HG1      ILE  86  -2.760  27.003 -21.337
  635   2HG1  ILE  86          3HG1      ILE  86  -1.124  26.666 -20.797
  636   1HG2  ILE  86          1HG2      ILE  86  -2.449  30.730 -20.330
  637   2HG2  ILE  86          2HG2      ILE  86  -3.667  29.501 -20.732
  638   3HG2  ILE  86          3HG2      ILE  86  -2.855  29.502 -19.156
  639   1HD1  ILE  86          1HD1      ILE  86  -1.822  27.147 -18.454
  640   2HD1  ILE  86          2HD1      ILE  86  -3.504  27.320 -19.020
  641   3HD1  ILE  86          3HD1      ILE  86  -2.665  25.777 -19.186
  642    H    TYR  87           H        TYR  87  -2.711  31.064 -23.016
  643    HA   TYR  87           HA       TYR  87  -0.382  32.911 -23.305
  644   1HB   TYR  87          1HB       TYR  87  -2.956  32.436 -24.776
  645   2HB   TYR  87          2HB       TYR  87  -2.237  34.023 -24.830
  646    HD1  TYR  87           HD1      TYR  87   0.077  34.353 -25.587
  647    HD2  TYR  87           HD2      TYR  87  -2.063  30.676 -26.279
  648    HE1  TYR  87           HE1      TYR  87   1.492  33.886 -27.549
  649    HE2  TYR  87           HE2      TYR  87  -0.687  30.290 -28.347
  650    HH   TYR  87           HH       TYR  87   1.494  32.854 -29.583
  651    H    VAL  88           H        VAL  88  -0.469  34.873 -22.562
  652    HA   VAL  88           HA       VAL  88  -3.091  36.099 -21.963
  653    HB   VAL  88           HB       VAL  88  -0.629  36.409 -20.207
  654   1HG1  VAL  88          1HG1      VAL  88  -1.329  38.585 -20.358
  655   2HG1  VAL  88          2HG1      VAL  88  -3.009  38.182 -20.730
  656   3HG1  VAL  88          3HG1      VAL  88  -2.414  38.053 -19.069
  657   1HG2  VAL  88          1HG2      VAL  88  -2.014  35.690 -18.405
  658   2HG2  VAL  88          2HG2      VAL  88  -3.486  35.818 -19.359
  659   3HG2  VAL  88          3HG2      VAL  88  -2.321  34.524 -19.685
  660    H    GLY  89           H        GLY  89  -3.120  36.844 -24.033
  661   1HA   GLY  89          1HA       GLY  89  -2.677  38.490 -25.647
  662   2HA   GLY  89          2HA       GLY  89  -1.166  38.910 -24.818
  663    H    GLU  90           H        GLU  90   0.541  38.495 -26.058
  664    HA   GLU  90           HA       GLU  90   0.683  35.857 -27.427
  665   1HB   GLU  90          1HB       GLU  90   0.813  37.938 -28.914
  666   2HB   GLU  90          2HB       GLU  90   2.386  38.230 -28.200
  667   1HG   GLU  90          1HG       GLU  90   2.422  37.081 -30.424
  668   2HG   GLU  90          2HG       GLU  90   3.267  36.200 -29.160
  669    H    LEU  91           H        LEU  91   1.703  37.579 -24.756
  670    HA   LEU  91           HA       LEU  91   4.144  36.154 -24.103
  671   1HB   LEU  91          1HB       LEU  91   3.311  38.267 -22.960
  672   2HB   LEU  91          2HB       LEU  91   1.956  37.333 -22.353
  673    HG   LEU  91           HG       LEU  91   3.944  35.744 -21.425
  674   1HD1  LEU  91          1HD1      LEU  91   5.149  38.544 -21.403
  675   2HD1  LEU  91          2HD1      LEU  91   5.815  37.097 -20.618
  676   3HD1  LEU  91          3HD1      LEU  91   5.736  37.187 -22.387
  677   1HD2  LEU  91          1HD2      LEU  91   2.153  36.754 -20.079
  678   2HD2  LEU  91          2HD2      LEU  91   3.725  36.881 -19.281
  679   3HD2  LEU  91          3HD2      LEU  91   3.025  38.306 -20.085
  680    H    LYS  92           H        LYS  92   4.269  34.058 -23.501
  681    HA   LYS  92           HA       LYS  92   1.802  32.476 -23.046
  682   1HB   LYS  92          1HB       LYS  92   2.566  30.854 -24.766
  683   2HB   LYS  92          2HB       LYS  92   2.124  32.433 -25.364
  684   1HG   LYS  92          1HG       LYS  92   4.517  33.065 -25.567
  685   2HG   LYS  92          2HG       LYS  92   4.971  31.438 -25.046
  686   1HD   LYS  92          1HD       LYS  92   4.430  30.493 -27.051
  687   2HD   LYS  92          2HD       LYS  92   3.027  31.510 -27.322
  688   1HE   LYS  92          HE2       LYS  92   5.874  32.533 -27.588
  689   2HE   LYS  92          HE3       LYS  92   4.998  31.793 -28.931
  690   1HZ   LYS  92          HZ1       LYS  92   3.395  33.573 -28.905
  691   2HZ   LYS  92          HZ2       LYS  92   3.958  34.184 -27.488
  692   3HZ   LYS  92          HZ3       LYS  92   4.864  34.261 -28.852
  693    H    HIS  93           H        HIS  93   2.215  30.217 -22.560
  694    HA   HIS  93           HA       HIS  93   4.760  29.414 -21.291
  695   1HB   HIS  93          1HB       HIS  93   3.528  30.804 -19.619
  696   2HB   HIS  93          2HB       HIS  93   2.128  29.759 -19.791
  697    HD1  HIS  93           HD1      HIS  93   2.370  27.290 -18.621
  698    HD2  HIS  93           HD2      HIS  93   5.552  30.003 -18.119
  699    HE1  HIS  93           HE1      HIS  93   3.744  26.451 -16.633
  700    H    GLN  94           H        GLN  94   5.025  27.247 -21.870
  701    HA   GLN  94           HA       GLN  94   2.829  25.508 -22.692
  702   1HB   GLN  94          1HB       GLN  94   5.785  25.162 -22.179
  703   2HB   GLN  94          2HB       GLN  94   4.737  23.743 -22.099
  704   1HG   GLN  94          1HG       GLN  94   3.862  24.207 -24.355
  705   2HG   GLN  94          2HG       GLN  94   4.974  25.580 -24.504
  706   1HE2  GLN  94          2HE2      GLN  94   4.618  22.220 -25.272
  707   2HE2  GLN  94          1HE2      GLN  94   6.370  21.962 -25.402
  708    H    TRP  95           H        TRP  95   1.304  24.844 -21.319
  709    HA   TRP  95           HA       TRP  95   2.105  24.052 -18.550
  710   1HB   TRP  95          1HB       TRP  95   0.339  25.691 -18.520
  711   2HB   TRP  95          2HB       TRP  95  -0.587  24.753 -19.702
  712    HD1  TRP  95           HD1      TRP  95  -2.353  23.293 -18.758
  713    HE1  TRP  95           HE1      TRP  95  -2.811  21.987 -16.542
  714    HE3  TRP  95           HE3      TRP  95   1.851  24.585 -16.130
  715    HZ2  TRP  95           HZ2      TRP  95  -1.452  21.425 -14.143
  716    HZ3  TRP  95           HZ3      TRP  95   2.306  23.533 -13.934
  717    HH2  TRP  95           HH2      TRP  95   0.690  21.937 -12.943
  718    H    PHE  96           H        PHE  96   2.647  22.034 -18.476
  719    HA   PHE  96           HA       PHE  96   1.443  19.934 -20.120
  720   1HB   PHE  96          1HB       PHE  96   3.370  19.712 -17.787
  721   2HB   PHE  96          2HB       PHE  96   2.974  18.458 -18.962
  722    HD1  PHE  96           HD1      PHE  96   3.169  19.631 -21.582
  723    HD2  PHE  96           HD2      PHE  96   5.547  20.537 -18.093
  724    HE1  PHE  96           HE1      PHE  96   4.956  20.528 -23.030
  725    HE2  PHE  96           HE2      PHE  96   7.343  21.416 -19.560
  726    HZ   PHE  96           HZ       PHE  96   7.047  21.421 -22.031
  727    H    GLN  97           H        GLN  97  -0.466  19.247 -19.681
  728    HA   GLN  97           HA       GLN  97  -1.739  20.119 -17.203
  729   1HB   GLN  97          1HB       GLN  97  -2.233  20.857 -19.620
  730   2HB   GLN  97          2HB       GLN  97  -2.904  19.282 -19.895
  731   1HG   GLN  97          1HG       GLN  97  -4.087  21.676 -18.787
  732   2HG   GLN  97          2HG       GLN  97  -4.876  20.249 -19.437
  733   1HE2  GLN  97          2HE2      GLN  97  -6.401  19.419 -17.890
  734   2HE2  GLN  97          1HE2      GLN  97  -5.838  19.229 -16.197
  735    H    LYS  98           H        LYS  98  -2.785  18.830 -15.791
  736    HA   LYS  98           HA       LYS  98  -3.148  15.941 -16.419
  737   1HB   LYS  98          1HB       LYS  98  -2.484  15.250 -14.284
  738   2HB   LYS  98          2HB       LYS  98  -1.227  16.308 -14.878
  739   1HG   LYS  98          1HG       LYS  98  -1.313  17.450 -12.962
  740   2HG   LYS  98          2HG       LYS  98  -2.928  18.024 -13.370
  741   1HD   LYS  98          1HD       LYS  98  -3.913  16.019 -12.241
  742   2HD   LYS  98          2HD       LYS  98  -2.285  15.410 -11.921
  743   1HE   LYS  98          HE2       LYS  98  -2.997  16.374  -9.890
  744   2HE   LYS  98          HE3       LYS  98  -1.831  17.516 -10.583
  745   1HZ   LYS  98          HZ1       LYS  98  -3.740  18.826 -11.400
  746   2HZ   LYS  98          HZ2       LYS  98  -4.795  17.730 -10.720
  747   3HZ   LYS  98          HZ3       LYS  98  -3.789  18.723  -9.816
  748    H    GLY  99           H        GLY  99  -4.952  14.884 -15.564
  749   1HA   GLY  99          1HA       GLY  99  -7.073  15.541 -14.032
  750   2HA   GLY  99          2HA       GLY  99  -7.317  16.508 -15.501
  Start of MODEL   13
    1   1H    ILE   1           H1       ILE   1 -10.421  44.559  -9.899
    2   2H    ILE   1           H2       ILE   1 -11.385  45.598  -9.085
    3   3H    ILE   1           H3       ILE   1 -10.162  44.898  -8.284
    4    HA   ILE   1           HA       ILE   1 -11.141  42.717  -8.517
    5    HB   ILE   1           HB       ILE   1 -13.089  44.766  -7.426
    6   1HG1  ILE   1          2HG1      ILE   1 -10.949  44.851  -6.272
    7   2HG1  ILE   1          3HG1      ILE   1 -12.161  44.127  -5.236
    8   1HG2  ILE   1          1HG2      ILE   1 -13.077  41.728  -7.146
    9   2HG2  ILE   1          2HG2      ILE   1 -13.981  42.822  -6.081
   10   3HG2  ILE   1          3HG2      ILE   1 -14.369  42.754  -7.797
   11   1HD1  ILE   1          1HD1      ILE   1 -11.231  41.861  -5.705
   12   2HD1  ILE   1          2HD1      ILE   1  -9.991  42.596  -6.751
   13   3HD1  ILE   1          3HD1      ILE   1 -10.025  42.957  -5.019
   14    H    SER   2           H        SER   2 -13.130  45.195 -10.232
   15    HA   SER   2           HA       SER   2 -15.137  43.560 -11.217
   16   1HB   SER   2          1HB       SER   2 -15.569  45.310 -12.775
   17   2HB   SER   2          2HB       SER   2 -15.119  46.001 -11.218
   18    HG   SER   2           HG       SER   2 -12.808  46.056 -12.320
   19    H    LYS   3           H        LYS   3 -14.581  41.558 -11.988
   20    HA   LYS   3           HA       LYS   3 -12.938  41.172 -14.412
   21   1HB   LYS   3          1HB       LYS   3 -14.880  39.306 -13.018
   22   2HB   LYS   3          2HB       LYS   3 -13.787  38.874 -14.329
   23   1HG   LYS   3          1HG       LYS   3 -12.935  39.772 -11.541
   24   2HG   LYS   3          2HG       LYS   3 -12.973  38.129 -12.133
   25   1HD   LYS   3          1HD       LYS   3 -10.915  38.278 -12.952
   26   2HD   LYS   3          2HD       LYS   3 -11.365  39.615 -13.996
   27   1HE   LYS   3          HE2       LYS   3 -10.446  39.872 -11.096
   28   2HE   LYS   3          HE3       LYS   3  -9.436  40.142 -12.532
   29   1HZ   LYS   3          HZ1       LYS   3 -10.315  42.315 -11.799
   30   2HZ   LYS   3          HZ2       LYS   3 -11.022  41.893 -13.189
   31   3HZ   LYS   3          HZ3       LYS   3 -11.819  41.698 -11.739
   32    H    GLY   4           H        GLY   4 -14.213  43.154 -15.080
   33   1HA   GLY   4          1HA       GLY   4 -16.910  43.181 -15.773
   34   2HA   GLY   4          2HA       GLY   4 -15.683  44.287 -16.389
   35    H    LEU   5           H        LEU   5 -17.975  42.092 -17.251
   36    HA   LEU   5           HA       LEU   5 -16.974  40.826 -19.577
   37   1HB   LEU   5          1HB       LEU   5 -19.831  41.762 -19.134
   38   2HB   LEU   5          2HB       LEU   5 -19.276  40.437 -20.149
   39    HG   LEU   5           HG       LEU   5 -19.371  40.539 -17.111
   40   1HD1  LEU   5          1HD1      LEU   5 -20.902  38.641 -17.391
   41   2HD1  LEU   5          2HD1      LEU   5 -21.483  40.039 -18.310
   42   3HD1  LEU   5          3HD1      LEU   5 -20.683  38.693 -19.153
   43   1HD2  LEU   5          1HD2      LEU   5 -18.540  38.174 -17.180
   44   2HD2  LEU   5          2HD2      LEU   5 -18.120  38.409 -18.893
   45   3HD2  LEU   5          3HD2      LEU   5 -17.330  39.379 -17.618
   46    H    THR   6           H        THR   6 -17.349  44.157 -19.153
   47    HA   THR   6           HA       THR   6 -18.261  44.792 -21.880
   48    HB   THR   6           HB       THR   6 -18.509  47.079 -20.806
   49    HG1  THR   6           HG1      THR   6 -18.437  47.021 -18.511
   50   1HG2  THR   6          1HG2      THR   6 -20.431  45.516 -20.946
   51   2HG2  THR   6          2HG2      THR   6 -19.962  44.795 -19.390
   52   3HG2  THR   6          3HG2      THR   6 -20.480  46.491 -19.467
   53    H    TYR   7           H        TYR   7 -15.235  44.941 -20.057
   54    HA   TYR   7           HA       TYR   7 -14.280  47.328 -21.334
   55   1HB   TYR   7          1HB       TYR   7 -12.593  45.165 -20.050
   56   2HB   TYR   7          2HB       TYR   7 -12.164  46.854 -20.276
   57    HD1  TYR   7           HD1      TYR   7 -15.070  47.883 -19.272
   58    HD2  TYR   7           HD2      TYR   7 -12.027  45.255 -17.703
   59    HE1  TYR   7           HE1      TYR   7 -15.873  48.314 -16.972
   60    HE2  TYR   7           HE2      TYR   7 -12.843  45.708 -15.385
   61    HH   TYR   7           HH       TYR   7 -14.394  46.879 -14.045
   62    H    THR   8           H        THR   8 -12.561  47.647 -22.818
   63    HA   THR   8           HA       THR   8 -12.492  45.826 -25.079
   64    HB   THR   8           HB       THR   8 -12.297  48.314 -25.276
   65    HG1  THR   8           HG1      THR   8 -10.671  48.095 -26.889
   66   1HG2  THR   8          1HG2      THR   8 -10.123  49.385 -25.031
   67   2HG2  THR   8          2HG2      THR   8 -10.616  48.736 -23.458
   68   3HG2  THR   8          3HG2      THR   8  -9.392  47.888 -24.429
   69    H    MET   9           H        MET   9 -10.319  45.201 -26.019
   70    HA   MET   9           HA       MET   9  -9.146  43.281 -24.148
   71   1HB   MET   9          1HB       MET   9  -8.408  43.837 -27.049
   72   2HB   MET   9          2HB       MET   9  -7.960  42.416 -26.096
   73   1HG   MET   9          1HG       MET   9 -10.774  43.222 -26.926
   74   2HG   MET   9          2HG       MET   9  -9.821  41.918 -27.618
   75   1HE   MET   9          1HE       MET   9 -12.915  42.189 -25.965
   76   2HE   MET   9          2HE       MET   9 -12.425  40.970 -27.167
   77   3HE   MET   9          3HE       MET   9 -12.979  40.461 -25.558
   78    H    CYS  10           H        CYS  10  -7.097  43.229 -23.301
   79    HA   CYS  10           HA       CYS  10  -5.509  45.641 -23.156
   80   1HB   CYS  10          1HB       CYS  10  -4.677  42.796 -22.589
   81   2HB   CYS  10          2HB       CYS  10  -3.904  44.226 -21.972
   82    H    ASP  11           H        ASP  11  -3.383  46.018 -23.970
   83    HA   ASP  11           HA       ASP  11  -2.687  45.220 -26.611
   84   1HB   ASP  11          1HB       ASP  11  -1.958  47.315 -25.586
   85   2HB   ASP  11          2HB       ASP  11  -0.995  46.440 -24.401
   86    H    LYS  12           H        LYS  12  -2.104  43.311 -27.241
   87    HA   LYS  12           HA       LYS  12  -1.464  41.122 -25.662
   88   1HB   LYS  12          1HB       LYS  12  -0.772  41.614 -28.587
   89   2HB   LYS  12          2HB       LYS  12  -0.777  40.035 -27.809
   90   1HG   LYS  12          1HG       LYS  12  -3.241  40.422 -27.244
   91   2HG   LYS  12          2HG       LYS  12  -3.195  41.820 -28.326
   92   1HD   LYS  12          1HD       LYS  12  -2.457  38.960 -29.097
   93   2HD   LYS  12          2HD       LYS  12  -4.028  39.707 -29.414
   94   1HE   LYS  12          HE2       LYS  12  -3.151  41.233 -30.998
   95   2HE   LYS  12          HE3       LYS  12  -1.493  41.032 -30.409
   96   1HZ   LYS  12          HZ1       LYS  12  -1.449  38.808 -31.225
   97   2HZ   LYS  12          HZ2       LYS  12  -2.987  38.909 -31.811
   98   3HZ   LYS  12          HZ3       LYS  12  -1.781  39.836 -32.465
   99    H    ALA  13           H        ALA  13   0.778  43.626 -26.413
  100    HA   ALA  13           HA       ALA  13   3.121  41.825 -25.933
  101   1HB   ALA  13          1HB       ALA  13   2.986  42.849 -28.162
  102   2HB   ALA  13          2HB       ALA  13   2.909  44.465 -27.426
  103   3HB   ALA  13          3HB       ALA  13   4.373  43.472 -27.250
  104    H    LYS  14           H        LYS  14   1.313  43.993 -24.136
  105    HA   LYS  14           HA       LYS  14   3.721  45.159 -22.756
  106   1HB   LYS  14          1HB       LYS  14   0.821  45.985 -22.548
  107   2HB   LYS  14          2HB       LYS  14   2.168  46.800 -21.782
  108   1HG   LYS  14          1HG       LYS  14   1.778  46.504 -24.757
  109   2HG   LYS  14          2HG       LYS  14   1.306  47.924 -23.815
  110   1HD   LYS  14          1HD       LYS  14   3.732  48.219 -23.200
  111   2HD   LYS  14          2HD       LYS  14   4.134  46.885 -24.297
  112   1HE   LYS  14          HE2       LYS  14   2.794  49.529 -25.025
  113   2HE   LYS  14          HE3       LYS  14   4.454  49.050 -25.405
  114   1HZ   LYS  14          HZ1       LYS  14   1.952  47.851 -26.496
  115   2HZ   LYS  14          HZ2       LYS  14   3.066  48.707 -27.323
  116   3HZ   LYS  14          HZ3       LYS  14   3.444  47.207 -26.746
  117    H    PHE  15           H        PHE  15   2.512  42.369 -22.363
  118    HA   PHE  15           HA       PHE  15   1.680  42.487 -19.521
  119   1HB   PHE  15          1HB       PHE  15   1.620  40.372 -21.687
  120   2HB   PHE  15          2HB       PHE  15   1.408  39.941 -20.001
  121    HD1  PHE  15           HD1      PHE  15  -0.336  41.112 -18.589
  122    HD2  PHE  15           HD2      PHE  15  -0.292  41.206 -22.905
  123    HE1  PHE  15           HE1      PHE  15  -2.789  41.500 -18.605
  124    HE2  PHE  15           HE2      PHE  15  -2.724  41.603 -22.921
  125    HZ   PHE  15           HZ       PHE  15  -3.987  41.679 -20.746
  126    H    THR  16           H        THR  16   2.447  41.170 -17.946
  127    HA   THR  16           HA       THR  16   5.027  39.747 -18.224
  128    HB   THR  16           HB       THR  16   5.749  40.653 -16.033
  129    HG1  THR  16           HG1      THR  16   3.383  42.172 -16.333
  130   1HG2  THR  16          1HG2      THR  16   6.486  42.844 -16.737
  131   2HG2  THR  16          2HG2      THR  16   6.569  41.741 -18.125
  132   3HG2  THR  16          3HG2      THR  16   5.248  42.924 -18.001
  133    H    TRP  17           H        TRP  17   5.083  37.855 -17.004
  134    HA   TRP  17           HA       TRP  17   2.619  36.834 -15.847
  135   1HB   TRP  17          1HB       TRP  17   5.435  35.743 -16.046
  136   2HB   TRP  17          2HB       TRP  17   4.158  34.928 -15.158
  137    HD1  TRP  17           HD1      TRP  17   5.703  34.775 -18.385
  138    HE1  TRP  17           HE1      TRP  17   4.255  33.521 -20.102
  139    HE3  TRP  17           HE3      TRP  17   1.236  34.809 -15.857
  140    HZ2  TRP  17           HZ2      TRP  17   1.466  32.778 -20.398
  141    HZ3  TRP  17           HZ3      TRP  17  -0.791  33.858 -16.907
  142    HH2  TRP  17           HH2      TRP  17  -0.685  32.821 -19.155
  143    H    LYS  18           H        LYS  18   1.915  37.688 -14.019
  144    HA   LYS  18           HA       LYS  18   3.626  38.521 -11.772
  145   1HB   LYS  18          1HB       LYS  18   1.141  39.295 -12.549
  146   2HB   LYS  18          2HB       LYS  18   0.676  37.981 -11.475
  147   1HG   LYS  18          1HG       LYS  18   2.288  39.212  -9.777
  148   2HG   LYS  18          2HG       LYS  18   2.097  40.583 -10.875
  149   1HD   LYS  18          1HD       LYS  18  -0.042  39.105  -9.313
  150   2HD   LYS  18          2HD       LYS  18   0.510  40.750  -9.037
  151   1HE   LYS  18          HE2       LYS  18  -0.521  41.498 -11.160
  152   2HE   LYS  18          HE3       LYS  18  -0.983  39.838 -11.534
  153   1HZ   LYS  18          HZ1       LYS  18  -2.010  41.423  -9.256
  154   2HZ   LYS  18          HZ2       LYS  18  -2.895  40.934 -10.559
  155   3HZ   LYS  18          HZ3       LYS  18  -2.314  39.831  -9.465
  156    H    ARG  19           H        ARG  19   1.683  35.793 -12.782
  157    HA   ARG  19           HA       ARG  19   3.160  33.878 -11.089
  158   1HB   ARG  19          1HB       ARG  19   1.076  34.847  -9.876
  159   2HB   ARG  19          2HB       ARG  19   0.123  33.923 -11.041
  160   1HG   ARG  19          1HG       ARG  19   1.267  31.834 -10.234
  161   2HG   ARG  19          2HG       ARG  19   2.060  32.818  -8.987
  162   1HD   ARG  19          1HD       ARG  19  -0.927  32.344  -9.381
  163   2HD   ARG  19          2HD       ARG  19   0.053  31.797  -8.025
  164    HE   ARG  19           HE       ARG  19  -1.084  34.518  -8.452
  165   1HH1  ARG  19          1HH1      ARG  19   1.343  32.828  -6.562
  166   2HH1  ARG  19          2HH1      ARG  19   1.464  34.162  -5.435
  167   1HH2  ARG  19          1HH2      ARG  19  -0.924  36.017  -7.179
  168   2HH2  ARG  19          2HH2      ARG  19   0.126  36.030  -5.746
  169    H    ALA  20           H        ALA  20   3.832  32.473 -12.707
  170    HA   ALA  20           HA       ALA  20   2.511  32.212 -15.223
  171   1HB   ALA  20          1HB       ALA  20   4.111  30.344 -15.558
  172   2HB   ALA  20          2HB       ALA  20   4.907  31.788 -14.913
  173   3HB   ALA  20          3HB       ALA  20   4.547  30.409 -13.844
  174    HA   PRO  21           HA       PRO  21  -0.709  29.164 -14.695
  175   1HB   PRO  21          1HB       PRO  21   0.716  27.619 -16.856
  176   2HB   PRO  21          2HB       PRO  21  -1.036  27.952 -16.646
  177   1HG   PRO  21          1HG       PRO  21   0.441  29.438 -18.364
  178   2HG   PRO  21          2HG       PRO  21  -0.757  30.229 -17.297
  179   1HD   PRO  21          1HD       PRO  21   2.235  30.074 -16.956
  180   2HD   PRO  21          2HD       PRO  21   1.125  31.439 -16.659
  181    H    THR  22           H        THR  22  -0.918  27.908 -13.035
  182    HA   THR  22           HA       THR  22   0.757  25.477 -12.786
  183    HB   THR  22           HB       THR  22   1.792  27.188 -11.355
  184    HG1  THR  22           HG1      THR  22   0.847  25.664  -9.390
  185   1HG2  THR  22          1HG2      THR  22  -0.795  27.114  -9.738
  186   2HG2  THR  22          2HG2      THR  22   0.717  27.938  -9.294
  187   3HG2  THR  22          3HG2      THR  22  -0.209  28.499 -10.694
  188    H    ASP  23           H        ASP  23  -0.146  23.993 -11.137
  189    HA   ASP  23           HA       ASP  23  -2.940  23.407 -11.692
  190   1HB   ASP  23          1HB       ASP  23  -1.028  21.735 -11.289
  191   2HB   ASP  23          2HB       ASP  23  -1.164  22.121  -9.579
  192    H    SER  24           H        SER  24  -4.683  23.954 -10.519
  193    HA   SER  24           HA       SER  24  -4.528  25.837  -8.310
  194   1HB   SER  24          1HB       SER  24  -6.960  25.758  -8.492
  195   2HB   SER  24          2HB       SER  24  -6.266  25.753 -10.131
  196    HG   SER  24           HG       SER  24  -7.721  24.165 -10.146
  197    H    GLY  25           H        GLY  25  -4.256  22.417  -8.318
  198   1HA   GLY  25          1HA       GLY  25  -4.332  20.915  -6.520
  199   2HA   GLY  25          2HA       GLY  25  -5.186  22.091  -5.518
  200    H    HIS  26           H        HIS  26  -6.732  22.229  -8.459
  201    HA   HIS  26           HA       HIS  26  -8.792  20.206  -7.681
  202   1HB   HIS  26          1HB       HIS  26  -9.251  22.897  -9.015
  203   2HB   HIS  26          2HB       HIS  26 -10.455  21.779  -8.436
  204    HD1  HIS  26           HD1      HIS  26  -7.607  23.936  -6.739
  205    HD2  HIS  26           HD2      HIS  26 -11.507  22.395  -6.190
  206    HE1  HIS  26           HE1      HIS  26  -8.479  24.909  -4.583
  207    H    ASP  27           H        ASP  27  -6.471  20.209  -9.802
  208    HA   ASP  27           HA       ASP  27  -6.042  19.538 -11.927
  209   1HB   ASP  27          1HB       ASP  27  -8.864  18.413 -11.990
  210   2HB   ASP  27          2HB       ASP  27  -7.558  18.048 -13.108
  211    H    THR  28           H        THR  28  -7.418  22.119 -11.271
  212    HA   THR  28           HA       THR  28  -7.949  23.061 -14.049
  213    HB   THR  28           HB       THR  28  -9.116  24.965 -13.122
  214    HG1  THR  28           HG1      THR  28  -9.402  25.311 -10.956
  215   1HG2  THR  28          1HG2      THR  28 -10.172  22.466 -11.723
  216   2HG2  THR  28          2HG2      THR  28 -11.075  23.943 -12.057
  217   3HG2  THR  28          3HG2      THR  28 -10.520  22.922 -13.397
  218    H    VAL  29           H        VAL  29  -7.166  25.414 -14.267
  219    HA   VAL  29           HA       VAL  29  -4.319  25.455 -13.402
  220    HB   VAL  29           HB       VAL  29  -5.370  26.392 -16.090
  221   1HG1  VAL  29          1HG1      VAL  29  -3.145  27.228 -15.363
  222   2HG1  VAL  29          2HG1      VAL  29  -2.610  25.559 -15.086
  223   3HG1  VAL  29          3HG1      VAL  29  -3.001  26.106 -16.726
  224   1HG2  VAL  29          1HG2      VAL  29  -4.324  23.646 -15.341
  225   2HG2  VAL  29          2HG2      VAL  29  -5.929  24.020 -15.992
  226   3HG2  VAL  29          3HG2      VAL  29  -4.512  24.251 -17.014
  227    H    VAL  30           H        VAL  30  -3.765  27.171 -12.315
  228    HA   VAL  30           HA       VAL  30  -5.337  29.706 -12.592
  229    HB   VAL  30           HB       VAL  30  -4.434  30.312 -10.344
  230   1HG1  VAL  30          1HG1      VAL  30  -6.251  27.891 -10.497
  231   2HG1  VAL  30          2HG1      VAL  30  -6.093  28.969  -9.098
  232   3HG1  VAL  30          3HG1      VAL  30  -6.727  29.594 -10.629
  233   1HG2  VAL  30          1HG2      VAL  30  -3.700  28.551  -8.808
  234   2HG2  VAL  30          2HG2      VAL  30  -3.724  27.355 -10.116
  235   3HG2  VAL  30          3HG2      VAL  30  -2.575  28.707 -10.161
  236    H    MET  31           H        MET  31  -4.298  31.621 -12.822
  237    HA   MET  31           HA       MET  31  -1.393  31.837 -12.815
  238   1HB   MET  31          1HB       MET  31  -1.084  32.391 -15.152
  239   2HB   MET  31          2HB       MET  31  -1.860  30.819 -15.055
  240   1HG   MET  31          1HG       MET  31  -4.070  32.203 -15.209
  241   2HG   MET  31          2HG       MET  31  -3.029  33.430 -15.940
  242   1HE   MET  31          1HE       MET  31  -4.999  30.165 -16.154
  243   2HE   MET  31          2HE       MET  31  -4.294  29.286 -17.529
  244   3HE   MET  31          3HE       MET  31  -3.370  29.473 -16.028
  245    H    GLU  32           H        GLU  32  -0.722  34.107 -13.415
  246    HA   GLU  32           HA       GLU  32  -2.842  36.120 -13.079
  247   1HB   GLU  32          1HB       GLU  32  -1.978  35.074 -10.832
  248   2HB   GLU  32          2HB       GLU  32  -0.556  36.090 -11.111
  249   1HG   GLU  32          1HG       GLU  32  -2.010  38.077 -11.192
  250   2HG   GLU  32          2HG       GLU  32  -3.422  37.064 -10.934
  251    H    VAL  33           H        VAL  33  -2.284  38.132 -13.922
  252    HA   VAL  33           HA       VAL  33   0.561  38.564 -14.759
  253    HB   VAL  33           HB       VAL  33  -0.219  39.497 -16.884
  254   1HG1  VAL  33          1HG1      VAL  33  -1.128  36.623 -16.610
  255   2HG1  VAL  33          2HG1      VAL  33  -0.270  37.420 -17.956
  256   3HG1  VAL  33          3HG1      VAL  33   0.571  37.106 -16.465
  257   1HG2  VAL  33          1HG2      VAL  33  -2.462  39.015 -17.733
  258   2HG2  VAL  33          2HG2      VAL  33  -2.923  38.269 -16.201
  259   3HG2  VAL  33          3HG2      VAL  33  -2.579  40.012 -16.277
  260    H    ALA  34           H        ALA  34   1.233  40.608 -15.348
  261    HA   ALA  34           HA       ALA  34  -0.313  42.920 -14.301
  262   1HB   ALA  34          1HB       ALA  34   1.295  42.351 -12.551
  263   2HB   ALA  34          2HB       ALA  34   2.619  42.293 -13.730
  264   3HB   ALA  34          3HB       ALA  34   1.819  43.837 -13.368
  265    H    PHE  35           H        PHE  35   0.117  44.866 -15.424
  266    HA   PHE  35           HA       PHE  35   0.955  44.340 -18.240
  267   1HB   PHE  35          1HB       PHE  35  -1.300  43.574 -17.851
  268   2HB   PHE  35          2HB       PHE  35  -1.719  45.077 -17.036
  269    HD1  PHE  35           HD1      PHE  35  -0.310  44.016 -20.378
  270    HD2  PHE  35           HD2      PHE  35  -3.106  46.497 -18.227
  271    HE1  PHE  35           HE1      PHE  35  -1.101  45.000 -22.497
  272    HE2  PHE  35           HE2      PHE  35  -3.843  47.499 -20.378
  273    HZ   PHE  35           HZ       PHE  35  -2.804  46.825 -22.484
  274    H    SER  36           H        SER  36   2.222  45.908 -18.933
  275    HA   SER  36           HA       SER  36   2.397  48.538 -17.760
  276   1HB   SER  36          1HB       SER  36   3.669  47.358 -20.260
  277   2HB   SER  36          2HB       SER  36   4.168  48.850 -19.448
  278    HG   SER  36           HG       SER  36   4.702  47.609 -17.628
  279    H    GLY  37           H        GLY  37  -0.001  47.538 -19.784
  280   1HA   GLY  37          1HA       GLY  37  -0.054  49.979 -21.493
  281   2HA   GLY  37          2HA       GLY  37  -1.019  48.531 -21.713
  282    H    THR  38           H        THR  38  -2.990  49.556 -21.807
  283    HA   THR  38           HA       THR  38  -4.014  51.684 -20.345
  284    HB   THR  38           HB       THR  38  -6.263  50.397 -21.047
  285    HG1  THR  38           HG1      THR  38  -5.816  49.077 -22.836
  286   1HG2  THR  38          1HG2      THR  38  -6.062  51.318 -23.300
  287   2HG2  THR  38          2HG2      THR  38  -5.440  52.459 -22.099
  288   3HG2  THR  38          3HG2      THR  38  -4.306  51.512 -23.092
  289    H    LYS  39           H        LYS  39  -5.851  51.777 -18.952
  290    HA   LYS  39           HA       LYS  39  -6.536  49.472 -17.282
  291   1HB   LYS  39          1HB       LYS  39  -5.853  52.185 -16.067
  292   2HB   LYS  39          2HB       LYS  39  -6.446  50.772 -15.202
  293   1HG   LYS  39          1HG       LYS  39  -3.746  50.967 -16.603
  294   2HG   LYS  39          2HG       LYS  39  -4.013  51.250 -14.894
  295   1HD   LYS  39          1HD       LYS  39  -4.573  49.012 -14.433
  296   2HD   LYS  39          2HD       LYS  39  -4.797  48.581 -16.123
  297   1HE   LYS  39          HE2       LYS  39  -2.136  49.329 -14.824
  298   2HE   LYS  39          HE3       LYS  39  -2.708  47.689 -15.160
  299   1HZ   LYS  39          HZ1       LYS  39  -1.948  49.740 -17.166
  300   2HZ   LYS  39          HZ2       LYS  39  -1.370  48.215 -16.985
  301   3HZ   LYS  39          HZ3       LYS  39  -2.916  48.531 -17.561
  302    HA   PRO  40           HA       PRO  40  -8.405  48.575 -16.681
  303   1HB   PRO  40          1HB       PRO  40 -10.838  47.720 -17.429
  304   2HB   PRO  40          2HB       PRO  40 -10.677  48.864 -16.061
  305   1HG   PRO  40          1HG       PRO  40 -11.319  49.517 -18.966
  306   2HG   PRO  40          2HG       PRO  40 -12.220  50.027 -17.503
  307   1HD   PRO  40          1HD       PRO  40 -10.295  51.591 -18.697
  308   2HD   PRO  40          2HD       PRO  40 -10.570  51.610 -16.931
  309    H    CYS  41           H        CYS  41  -8.459  46.494 -17.926
  310    HA   CYS  41           HA       CYS  41  -9.527  46.586 -20.614
  311   1HB   CYS  41          1HB       CYS  41  -7.580  45.720 -21.787
  312   2HB   CYS  41          2HB       CYS  41  -7.228  47.288 -21.080
  313    H    ARG  42           H        ARG  42  -9.735  44.469 -21.555
  314    HA   ARG  42           HA       ARG  42 -10.119  42.223 -19.649
  315   1HB   ARG  42          1HB       ARG  42 -11.874  43.020 -21.303
  316   2HB   ARG  42          2HB       ARG  42 -10.811  42.462 -22.605
  317   1HG   ARG  42          1HG       ARG  42 -10.867  40.143 -21.448
  318   2HG   ARG  42          2HG       ARG  42 -12.135  40.810 -20.416
  319   1HD   ARG  42          1HD       ARG  42 -12.152  40.309 -23.398
  320   2HD   ARG  42          2HD       ARG  42 -13.234  39.648 -22.201
  321    HE   ARG  42           HE       ARG  42 -13.194  42.561 -22.995
  322   1HH1  ARG  42          1HH1      ARG  42 -15.295  39.827 -21.997
  323   2HH1  ARG  42          2HH1      ARG  42 -16.683  40.900 -22.230
  324   1HH2  ARG  42          1HH2      ARG  42 -14.963  43.670 -23.104
  325   2HH2  ARG  42          2HH2      ARG  42 -16.534  42.889 -22.765
  326    H    ILE  43           H        ILE  43  -8.802  40.495 -19.622
  327    HA   ILE  43           HA       ILE  43  -6.232  40.805 -20.936
  328    HB   ILE  43           HB       ILE  43  -7.275  38.674 -19.055
  329   1HG1  ILE  43          2HG1      ILE  43  -5.286  40.960 -18.611
  330   2HG1  ILE  43          3HG1      ILE  43  -6.993  41.112 -18.238
  331   1HG2  ILE  43          1HG2      ILE  43  -5.406  37.827 -20.519
  332   2HG2  ILE  43          2HG2      ILE  43  -4.417  39.204 -20.005
  333   3HG2  ILE  43          3HG2      ILE  43  -4.916  37.969 -18.835
  334   1HD1  ILE  43          1HD1      ILE  43  -5.131  39.122 -16.906
  335   2HD1  ILE  43          2HD1      ILE  43  -5.731  40.652 -16.247
  336   3HD1  ILE  43          3HD1      ILE  43  -6.864  39.336 -16.573
  337    HA   PRO  44           HA       PRO  44  -7.675  38.381 -24.499
  338   1HB   PRO  44          1HB       PRO  44  -5.501  38.658 -26.125
  339   2HB   PRO  44          2HB       PRO  44  -6.634  40.001 -25.791
  340   1HG   PRO  44          1HG       PRO  44  -3.983  39.445 -24.422
  341   2HG   PRO  44          2HG       PRO  44  -4.561  40.983 -25.121
  342   1HD   PRO  44          1HD       PRO  44  -4.766  40.381 -22.473
  343   2HD   PRO  44          2HD       PRO  44  -6.031  41.327 -23.326
  344    H    VAL  45           H        VAL  45  -7.702  36.588 -23.071
  345    HA   VAL  45           HA       VAL  45  -5.269  34.908 -22.968
  346    HB   VAL  45           HB       VAL  45  -7.138  35.885 -21.008
  347   1HG1  VAL  45          1HG1      VAL  45  -8.411  33.796 -21.177
  348   2HG1  VAL  45          2HG1      VAL  45  -6.916  32.865 -20.932
  349   3HG1  VAL  45          3HG1      VAL  45  -7.540  33.914 -19.644
  350   1HG2  VAL  45          1HG2      VAL  45  -4.582  35.704 -21.117
  351   2HG2  VAL  45          2HG2      VAL  45  -5.369  35.446 -19.589
  352   3HG2  VAL  45          3HG2      VAL  45  -4.793  34.043 -20.521
  353    H    ARG  46           H        ARG  46  -5.156  32.859 -23.346
  354    HA   ARG  46           HA       ARG  46  -7.395  31.181 -24.159
  355   1HB   ARG  46          1HB       ARG  46  -6.563  30.813 -26.477
  356   2HB   ARG  46          2HB       ARG  46  -7.097  32.477 -26.227
  357   1HG   ARG  46          1HG       ARG  46  -4.666  33.086 -25.800
  358   2HG   ARG  46          2HG       ARG  46  -4.240  31.440 -26.314
  359   1HD   ARG  46          1HD       ARG  46  -4.809  31.868 -28.547
  360   2HD   ARG  46          2HD       ARG  46  -5.796  33.286 -28.128
  361    HE   ARG  46           HE       ARG  46  -3.517  34.222 -27.250
  362   1HH1  ARG  46          1HH1      ARG  46  -3.739  32.470 -30.308
  363   2HH1  ARG  46          2HH1      ARG  46  -2.356  33.354 -30.930
  364   1HH2  ARG  46          1HH2      ARG  46  -1.809  35.233 -28.103
  365   2HH2  ARG  46          2HH2      ARG  46  -1.265  34.934 -29.700
  366    H    ALA  47           H        ALA  47  -6.684  29.001 -24.555
  367    HA   ALA  47           HA       ALA  47  -3.804  28.384 -24.004
  368   1HB   ALA  47          1HB       ALA  47  -5.138  27.776 -21.998
  369   2HB   ALA  47          2HB       ALA  47  -6.217  26.799 -23.022
  370   3HB   ALA  47          3HB       ALA  47  -4.515  26.340 -22.854
  371    H    VAL  48           H        VAL  48  -2.918  27.334 -25.735
  372    HA   VAL  48           HA       VAL  48  -4.852  26.074 -27.650
  373    HB   VAL  48           HB       VAL  48  -3.571  26.721 -29.474
  374   1HG1  VAL  48          1HG1      VAL  48  -3.943  29.126 -29.455
  375   2HG1  VAL  48          2HG1      VAL  48  -5.242  28.321 -28.563
  376   3HG1  VAL  48          3HG1      VAL  48  -3.944  29.159 -27.682
  377   1HG2  VAL  48          1HG2      VAL  48  -1.655  28.295 -29.361
  378   2HG2  VAL  48          2HG2      VAL  48  -1.618  28.111 -27.597
  379   3HG2  VAL  48          3HG2      VAL  48  -1.266  26.722 -28.655
  380    H    ALA  49           H        ALA  49  -4.744  24.006 -27.893
  381    HA   ALA  49           HA       ALA  49  -2.846  22.461 -26.396
  382   1HB   ALA  49          1HB       ALA  49  -4.076  20.537 -27.332
  383   2HB   ALA  49          2HB       ALA  49  -5.168  21.776 -26.697
  384   3HB   ALA  49          3HB       ALA  49  -4.926  21.622 -28.457
  385    H    HIS  50           H        HIS  50  -1.316  20.983 -27.056
  386    HA   HIS  50           HA       HIS  50   0.486  21.544 -29.090
  387   1HB   HIS  50          1HB       HIS  50   0.811  20.205 -27.038
  388   2HB   HIS  50          2HB       HIS  50  -0.053  18.856 -27.771
  389    HD1  HIS  50           HD1      HIS  50   3.282  19.900 -27.074
  390    HD2  HIS  50           HD2      HIS  50   1.312  18.145 -30.375
  391    HE1  HIS  50           HE1      HIS  50   5.094  18.807 -28.549
  392    H    GLY  51           H        GLY  51  -0.471  21.894 -31.053
  393   1HA   GLY  51          1HA       GLY  51  -0.274  20.464 -33.208
  394   2HA   GLY  51          2HA       GLY  51  -1.644  19.581 -32.545
  395    H    ALA  52           H        ALA  52  -2.607  22.467 -31.487
  396    HA   ALA  52           HA       ALA  52  -3.499  23.570 -34.110
  397   1HB   ALA  52          1HB       ALA  52  -5.431  22.559 -31.996
  398   2HB   ALA  52          2HB       ALA  52  -5.845  23.424 -33.495
  399   3HB   ALA  52          3HB       ALA  52  -5.111  21.814 -33.582
  400    HA   PRO  53           HA       PRO  53  -2.554  27.164 -31.289
  401   1HB   PRO  53          1HB       PRO  53  -2.014  28.167 -34.073
  402   2HB   PRO  53          2HB       PRO  53  -1.144  28.532 -32.549
  403   1HG   PRO  53          1HG       PRO  53  -0.087  26.784 -34.321
  404   2HG   PRO  53          2HG       PRO  53  -0.072  26.387 -32.569
  405   1HD   PRO  53          1HD       PRO  53  -2.034  25.449 -34.686
  406   2HD   PRO  53          2HD       PRO  53  -1.170  24.486 -33.449
  407    H    ASP  54           H        ASP  54  -4.506  26.505 -34.092
  408    HA   ASP  54           HA       ASP  54  -6.114  28.779 -34.370
  409   1HB   ASP  54          1HB       ASP  54  -6.995  25.928 -34.915
  410   2HB   ASP  54          2HB       ASP  54  -7.342  27.380 -35.847
  411    H    VAL  55           H        VAL  55  -6.241  26.335 -31.877
  412    HA   VAL  55           HA       VAL  55  -9.120  26.947 -31.300
  413    HB   VAL  55           HB       VAL  55  -7.672  24.329 -30.764
  414   1HG1  VAL  55          1HG1      VAL  55 -10.626  25.109 -30.594
  415   2HG1  VAL  55          2HG1      VAL  55  -9.951  23.491 -30.303
  416   3HG1  VAL  55          3HG1      VAL  55  -9.561  24.815 -29.206
  417   1HG2  VAL  55          1HG2      VAL  55  -7.962  24.570 -33.179
  418   2HG2  VAL  55          2HG2      VAL  55  -9.135  23.407 -32.558
  419   3HG2  VAL  55          3HG2      VAL  55  -9.655  25.061 -32.962
  420    H    ASP  56           H        ASP  56  -9.227  28.286 -29.619
  421    HA   ASP  56           HA       ASP  56  -7.555  28.010 -27.256
  422   1HB   ASP  56          1HB       ASP  56  -8.693  30.144 -27.784
  423   2HB   ASP  56          2HB       ASP  56 -10.260  29.362 -27.528
  424    H    VAL  57           H        VAL  57  -7.646  26.311 -26.020
  425    HA   VAL  57           HA       VAL  57 -10.139  24.696 -25.708
  426    HB   VAL  57           HB       VAL  57  -8.810  22.886 -24.945
  427   1HG1  VAL  57          1HG1      VAL  57  -7.486  24.003 -27.443
  428   2HG1  VAL  57          2HG1      VAL  57  -7.580  22.304 -26.943
  429   3HG1  VAL  57          3HG1      VAL  57  -9.056  23.174 -27.393
  430   1HG2  VAL  57          1HG2      VAL  57  -6.977  24.125 -23.754
  431   2HG2  VAL  57          2HG2      VAL  57  -6.401  22.844 -24.829
  432   3HG2  VAL  57          3HG2      VAL  57  -6.273  24.517 -25.339
  433    H    ALA  58           H        ALA  58  -8.856  27.321 -24.163
  434    HA   ALA  58           HA       ALA  58  -8.961  26.443 -21.402
  435   1HB   ALA  58          1HB       ALA  58  -9.174  29.222 -22.641
  436   2HB   ALA  58          2HB       ALA  58  -8.932  28.858 -20.928
  437   3HB   ALA  58          3HB       ALA  58  -7.676  28.428 -22.109
  438    H    MET  59           H        MET  59 -10.801  25.715 -20.471
  439    HA   MET  59           HA       MET  59 -13.353  27.205 -20.958
  440   1HB   MET  59          1HB       MET  59 -12.937  24.545 -19.547
  441   2HB   MET  59          2HB       MET  59 -14.473  25.350 -19.915
  442   1HG   MET  59          1HG       MET  59 -13.742  25.283 -22.388
  443   2HG   MET  59          2HG       MET  59 -12.444  24.212 -21.869
  444   1HE   MET  59          1HE       MET  59 -16.910  23.221 -22.300
  445   2HE   MET  59          2HE       MET  59 -16.390  24.594 -21.295
  446   3HE   MET  59          3HE       MET  59 -16.025  24.574 -23.038
  447    H    LEU  60           H        LEU  60 -13.197  29.023 -19.771
  448    HA   LEU  60           HA       LEU  60 -11.621  29.310 -17.449
  449   1HB   LEU  60          1HB       LEU  60 -13.918  31.119 -18.219
  450   2HB   LEU  60          2HB       LEU  60 -12.532  31.486 -17.212
  451    HG   LEU  60           HG       LEU  60 -11.436  30.611 -19.711
  452   1HD1  LEU  60          1HD1      LEU  60 -13.693  31.065 -20.682
  453   2HD1  LEU  60          2HD1      LEU  60 -13.599  32.730 -20.069
  454   3HD1  LEU  60          3HD1      LEU  60 -12.450  32.162 -21.301
  455   1HD2  LEU  60          1HD2      LEU  60 -10.395  32.244 -18.219
  456   2HD2  LEU  60          2HD2      LEU  60 -10.608  32.924 -19.844
  457   3HD2  LEU  60          3HD2      LEU  60 -11.715  33.393 -18.531
  458    H    ILE  61           H        ILE  61 -11.937  29.026 -15.352
  459    HA   ILE  61           HA       ILE  61 -14.558  27.985 -14.356
  460    HB   ILE  61           HB       ILE  61 -11.798  27.921 -13.103
  461   1HG1  ILE  61          2HG1      ILE  61 -11.726  26.488 -15.028
  462   2HG1  ILE  61          3HG1      ILE  61 -11.774  25.505 -13.588
  463   1HG2  ILE  61          1HG2      ILE  61 -12.775  26.212 -11.562
  464   2HG2  ILE  61          2HG2      ILE  61 -13.443  27.824 -11.347
  465   3HG2  ILE  61          3HG2      ILE  61 -14.387  26.593 -12.212
  466   1HD1  ILE  61          1HD1      ILE  61 -14.084  26.011 -15.514
  467   2HD1  ILE  61          2HD1      ILE  61 -13.174  24.510 -15.300
  468   3HD1  ILE  61          3HD1      ILE  61 -14.229  25.083 -14.000
  469    H    THR  62           H        THR  62 -12.288  30.647 -14.059
  470    HA   THR  62           HA       THR  62 -14.196  32.022 -12.216
  471    HB   THR  62           HB       THR  62 -11.619  31.834 -11.726
  472    HG1  THR  62           HG1      THR  62 -11.885  33.523 -10.465
  473   1HG2  THR  62          1HG2      THR  62 -11.640  34.434 -13.311
  474   2HG2  THR  62          2HG2      THR  62 -10.286  33.686 -12.449
  475   3HG2  THR  62          3HG2      THR  62 -10.938  32.928 -13.929
  476    HA   PRO  63           HA       PRO  63 -15.764  34.352 -15.552
  477   1HB   PRO  63          1HB       PRO  63 -15.203  36.928 -14.083
  478   2HB   PRO  63          2HB       PRO  63 -16.724  36.386 -14.856
  479   1HG   PRO  63          1HG       PRO  63 -16.434  36.231 -12.171
  480   2HG   PRO  63          2HG       PRO  63 -17.161  34.853 -13.067
  481   1HD   PRO  63          1HD       PRO  63 -14.309  35.172 -12.099
  482   2HD   PRO  63          2HD       PRO  63 -15.398  33.758 -11.951
  483    H    ASN  64           H        ASN  64 -15.416  35.694 -17.257
  484    HA   ASN  64           HA       ASN  64 -13.382  36.254 -18.836
  485   1HB   ASN  64          1HB       ASN  64 -15.667  36.843 -19.235
  486   2HB   ASN  64          2HB       ASN  64 -15.659  37.990 -17.898
  487   1HD2  ASN  64          2HD2      ASN  64 -14.112  39.842 -18.141
  488   2HD2  ASN  64          1HD2      ASN  64 -14.218  40.672 -19.697
  489    HA   PRO  65           HA       PRO  65 -10.880  38.260 -15.697
  490   1HB   PRO  65          1HB       PRO  65  -8.362  37.703 -16.565
  491   2HB   PRO  65          2HB       PRO  65  -9.476  36.481 -15.882
  492   1HG   PRO  65          1HG       PRO  65  -9.005  37.105 -18.826
  493   2HG   PRO  65          2HG       PRO  65  -8.927  35.506 -18.012
  494   1HD   PRO  65          1HD       PRO  65 -11.180  36.342 -19.270
  495   2HD   PRO  65          2HD       PRO  65 -11.273  35.442 -17.722
  496    H    THR  66           H        THR  66  -9.725  40.127 -15.326
  497    HA   THR  66           HA       THR  66  -9.216  41.976 -17.585
  498    HB   THR  66           HB       THR  66 -10.306  43.804 -16.317
  499    HG1  THR  66           HG1      THR  66 -11.713  43.203 -14.599
  500   1HG2  THR  66          1HG2      THR  66 -11.633  42.641 -18.055
  501   2HG2  THR  66          2HG2      THR  66 -12.224  41.489 -16.841
  502   3HG2  THR  66          3HG2      THR  66 -12.641  43.206 -16.722
  503    H    MET  67           H        MET  67  -7.899  43.723 -17.115
  504    HA   MET  67           HA       MET  67  -6.172  43.508 -14.699
  505   1HB   MET  67          1HB       MET  67  -5.288  43.059 -17.278
  506   2HB   MET  67          2HB       MET  67  -4.989  44.787 -17.116
  507   1HG   MET  67          1HG       MET  67  -4.072  42.639 -15.149
  508   2HG   MET  67          2HG       MET  67  -3.092  43.287 -16.446
  509   1HE   MET  67          1HE       MET  67  -4.662  43.879 -12.952
  510   2HE   MET  67          2HE       MET  67  -3.013  43.216 -12.932
  511   3HE   MET  67          3HE       MET  67  -3.338  44.835 -12.261
  512    H    GLU  68           H        GLU  68  -6.166  45.344 -13.455
  513    HA   GLU  68           HA       GLU  68  -7.928  47.544 -14.436
  514   1HB   GLU  68          1HB       GLU  68  -8.060  45.915 -11.872
  515   2HB   GLU  68          2HB       GLU  68  -9.010  47.343 -12.207
  516   1HG   GLU  68          1HG       GLU  68 -10.176  46.214 -14.032
  517   2HG   GLU  68          2HG       GLU  68  -9.186  44.757 -13.798
  518    H    ASN  69           H        ASN  69  -8.039  49.374 -13.038
  519    HA   ASN  69           HA       ASN  69  -5.566  50.281 -11.754
  520   1HB   ASN  69          1HB       ASN  69  -6.970  52.310 -11.366
  521   2HB   ASN  69          2HB       ASN  69  -6.871  51.850 -13.063
  522   1HD2  ASN  69          2HD2      ASN  69  -8.841  53.519 -12.734
  523   2HD2  ASN  69          1HD2      ASN  69 -10.379  52.662 -12.620
  524    H    ASN  70           H        ASN  70  -8.296  48.464 -10.838
  525    HA   ASN  70           HA       ASN  70  -7.941  49.045  -7.936
  526   1HB   ASN  70          1HB       ASN  70 -10.301  48.919  -7.643
  527   2HB   ASN  70          2HB       ASN  70  -9.990  50.041  -8.961
  528   1HD2  ASN  70          1HD2      ASN  70 -10.432  49.211 -11.280
  529   2HD2  ASN  70          2HD2      ASN  70 -11.384  47.681 -11.375
  530    H    GLY  71           H        GLY  71  -6.622  46.932  -9.572
  531   1HA   GLY  71          1HA       GLY  71  -5.948  44.945  -8.136
  532   2HA   GLY  71          2HA       GLY  71  -7.641  44.451  -8.240
  533    H    GLY  72           H        GLY  72  -7.338  42.557  -9.380
  534   1HA   GLY  72          1HA       GLY  72  -7.813  41.599 -11.452
  535   2HA   GLY  72          2HA       GLY  72  -7.142  43.000 -12.274
  536    H    GLY  73           H        GLY  73  -6.523  41.064 -13.581
  537   1HA   GLY  73          1HA       GLY  73  -4.524  40.196 -14.534
  538   2HA   GLY  73          2HA       GLY  73  -3.730  40.284 -12.981
  539    H    PHE  74           H        PHE  74  -6.326  38.816 -11.867
  540    HA   PHE  74           HA       PHE  74  -5.016  36.194 -12.058
  541   1HB   PHE  74          1HB       PHE  74  -5.589  37.201  -9.859
  542   2HB   PHE  74          2HB       PHE  74  -7.299  37.134 -10.285
  543    HD1  PHE  74           HD1      PHE  74  -4.242  34.988  -9.839
  544    HD2  PHE  74           HD2      PHE  74  -8.555  35.109  -9.945
  545    HE1  PHE  74           HE1      PHE  74  -4.329  32.600  -9.191
  546    HE2  PHE  74           HE2      PHE  74  -8.629  32.712  -9.289
  547    HZ   PHE  74           HZ       PHE  74  -6.524  31.462  -8.914
  548    H    ILE  75           H        ILE  75  -5.905  34.250 -12.476
  549    HA   ILE  75           HA       ILE  75  -8.454  34.054 -13.997
  550    HB   ILE  75           HB       ILE  75  -5.667  33.305 -14.900
  551   1HG1  ILE  75          2HG1      ILE  75  -7.464  35.471 -15.967
  552   2HG1  ILE  75          3HG1      ILE  75  -5.952  35.707 -15.088
  553   1HG2  ILE  75          1HG2      ILE  75  -7.302  31.647 -15.738
  554   2HG2  ILE  75          2HG2      ILE  75  -8.284  32.964 -16.427
  555   3HG2  ILE  75          3HG2      ILE  75  -6.659  32.586 -17.046
  556   1HD1  ILE  75          1HD1      ILE  75  -4.705  34.604 -16.908
  557   2HD1  ILE  75          2HD1      ILE  75  -6.223  34.570 -17.841
  558   3HD1  ILE  75          3HD1      ILE  75  -5.514  36.120 -17.352
  559    H    GLU  76           H        GLU  76  -9.340  32.010 -13.918
  560    HA   GLU  76           HA       GLU  76  -7.649  29.704 -13.332
  561   1HB   GLU  76          1HB       GLU  76  -8.932  30.178 -11.209
  562   2HB   GLU  76          2HB       GLU  76 -10.428  29.926 -12.129
  563   1HG   GLU  76          1HG       GLU  76  -9.564  27.629 -12.774
  564   2HG   GLU  76          2HG       GLU  76  -8.179  27.894 -11.739
  565    H    MET  77           H        MET  77  -7.969  28.148 -14.830
  566    HA   MET  77           HA       MET  77 -10.502  27.925 -16.351
  567   1HB   MET  77          1HB       MET  77  -9.182  27.754 -18.489
  568   2HB   MET  77          2HB       MET  77  -9.222  29.376 -17.794
  569   1HG   MET  77          1HG       MET  77  -6.978  29.184 -16.949
  570   2HG   MET  77          2HG       MET  77  -6.940  27.457 -17.268
  571   1HE   MET  77          1HE       MET  77  -6.451  31.054 -18.774
  572   2HE   MET  77          2HE       MET  77  -6.524  30.718 -20.518
  573   3HE   MET  77          3HE       MET  77  -7.994  30.574 -19.528
  574    H    GLN  78           H        GLN  78 -10.706  25.843 -17.495
  575    HA   GLN  78           HA       GLN  78  -8.682  23.813 -16.667
  576   1HB   GLN  78          1HB       GLN  78 -10.882  23.566 -15.480
  577   2HB   GLN  78          2HB       GLN  78 -11.637  23.211 -17.039
  578   1HG   GLN  78          1HG       GLN  78 -10.311  21.210 -17.317
  579   2HG   GLN  78          2HG       GLN  78  -9.196  21.686 -16.028
  580   1HE2  GLN  78          2HE2      GLN  78  -9.407  20.306 -14.284
  581   2HE2  GLN  78          1HE2      GLN  78 -11.000  19.758 -13.733
  582    H    LEU  79           H        LEU  79  -8.248  22.162 -18.126
  583    HA   LEU  79           HA       LEU  79  -8.635  22.841 -20.989
  584   1HB   LEU  79          1HB       LEU  79  -6.039  22.499 -19.411
  585   2HB   LEU  79          2HB       LEU  79  -6.131  22.484 -21.159
  586    HG   LEU  79           HG       LEU  79  -6.937  24.861 -21.134
  587   1HD1  LEU  79          1HD1      LEU  79  -7.692  25.623 -19.099
  588   2HD1  LEU  79          2HD1      LEU  79  -6.684  24.490 -18.163
  589   3HD1  LEU  79          3HD1      LEU  79  -5.994  25.969 -18.818
  590   1HD2  LEU  79          1HD2      LEU  79  -4.615  24.210 -21.523
  591   2HD2  LEU  79          2HD2      LEU  79  -4.675  25.721 -20.608
  592   3HD2  LEU  79          3HD2      LEU  79  -4.299  24.206 -19.771
  593    HA   PRO  80           HA       PRO  80  -8.407  18.337 -21.650
  594   1HB   PRO  80          1HB       PRO  80  -6.446  19.060 -23.825
  595   2HB   PRO  80          2HB       PRO  80  -7.845  17.947 -23.881
  596   1HG   PRO  80          1HG       PRO  80  -8.024  20.429 -24.944
  597   2HG   PRO  80          2HG       PRO  80  -9.383  19.776 -23.968
  598   1HD   PRO  80          1HD       PRO  80  -7.177  21.656 -23.084
  599   2HD   PRO  80          2HD       PRO  80  -8.945  21.780 -22.812
  600    HA   PRO  81           HA       PRO  81  -4.530  17.274 -19.371
  601   1HB   PRO  81          1HB       PRO  81  -5.657  14.594 -20.184
  602   2HB   PRO  81          2HB       PRO  81  -4.874  15.072 -18.640
  603   1HG   PRO  81          1HG       PRO  81  -7.565  14.927 -18.775
  604   2HG   PRO  81          2HG       PRO  81  -6.799  16.348 -17.985
  605   1HD   PRO  81          1HD       PRO  81  -7.898  16.138 -20.800
  606   2HD   PRO  81          2HD       PRO  81  -8.143  17.430 -19.583
  607    H    GLY  82           H        GLY  82  -2.566  17.221 -20.244
  608   1HA   GLY  82          1HA       GLY  82  -1.220  16.116 -22.243
  609   2HA   GLY  82          2HA       GLY  82  -2.461  16.939 -23.201
  610    H    ASP  83           H        ASP  83  -0.657  18.079 -24.155
  611    HA   ASP  83           HA       ASP  83   0.722  20.096 -22.465
  612   1HB   ASP  83          1HB       ASP  83   2.126  18.528 -23.678
  613   2HB   ASP  83          2HB       ASP  83   1.327  18.921 -25.200
  614    H    ASN  84           H        ASN  84   0.086  22.121 -22.526
  615    HA   ASN  84           HA       ASN  84  -1.448  23.192 -24.863
  616   1HB   ASN  84          1HB       ASN  84  -2.068  23.515 -21.891
  617   2HB   ASN  84          2HB       ASN  84  -2.948  24.252 -23.230
  618   1HD2  ASN  84          2HD2      ASN  84  -2.484  21.250 -21.395
  619   2HD2  ASN  84          1HD2      ASN  84  -3.922  20.487 -22.088
  620    H    ILE  85           H        ILE  85  -0.686  25.131 -25.594
  621    HA   ILE  85           HA       ILE  85   1.309  26.612 -23.944
  622    HB   ILE  85           HB       ILE  85   0.452  27.166 -26.805
  623   1HG1  ILE  85          2HG1      ILE  85   3.109  26.355 -26.889
  624   2HG1  ILE  85          3HG1      ILE  85   2.470  25.272 -25.661
  625   1HG2  ILE  85          1HG2      ILE  85   2.479  28.593 -26.811
  626   2HG2  ILE  85          2HG2      ILE  85   1.307  29.147 -25.615
  627   3HG2  ILE  85          3HG2      ILE  85   2.740  28.236 -25.089
  628   1HD1  ILE  85          1HD1      ILE  85   2.326  24.264 -27.895
  629   2HD1  ILE  85          2HD1      ILE  85   0.685  24.558 -27.292
  630   3HD1  ILE  85          3HD1      ILE  85   1.399  25.654 -28.498
  631    H    ILE  86           H        ILE  86   0.501  27.985 -22.522
  632    HA   ILE  86           HA       ILE  86  -2.222  29.114 -22.912
  633    HB   ILE  86           HB       ILE  86  -0.497  28.971 -20.421
  634   1HG1  ILE  86          2HG1      ILE  86  -2.831  27.284 -21.433
  635   2HG1  ILE  86          3HG1      ILE  86  -1.192  26.739 -21.101
  636   1HG2  ILE  86          1HG2      ILE  86  -2.545  29.705 -19.269
  637   2HG2  ILE  86          2HG2      ILE  86  -2.082  30.912 -20.450
  638   3HG2  ILE  86          3HG2      ILE  86  -3.421  29.799 -20.810
  639   1HD1  ILE  86          1HD1      ILE  86  -1.556  27.237 -18.680
  640   2HD1  ILE  86          2HD1      ILE  86  -3.272  27.565 -19.048
  641   3HD1  ILE  86          3HD1      ILE  86  -2.592  25.963 -19.335
  642    H    TYR  87           H        TYR  87  -2.526  31.138 -23.424
  643    HA   TYR  87           HA       TYR  87  -0.156  32.949 -23.668
  644   1HB   TYR  87          1HB       TYR  87  -2.522  32.323 -25.376
  645   2HB   TYR  87          2HB       TYR  87  -1.928  33.966 -25.398
  646    HD1  TYR  87           HD1      TYR  87   0.249  34.541 -26.217
  647    HD2  TYR  87           HD2      TYR  87  -1.219  30.500 -26.430
  648    HE1  TYR  87           HE1      TYR  87   1.829  34.070 -28.076
  649    HE2  TYR  87           HE2      TYR  87   0.479  29.968 -28.168
  650    HH   TYR  87           HH       TYR  87   2.092  30.899 -29.598
  651    H    VAL  88           H        VAL  88  -0.270  34.965 -23.100
  652    HA   VAL  88           HA       VAL  88  -2.819  36.269 -22.323
  653    HB   VAL  88           HB       VAL  88  -0.168  36.421 -20.838
  654   1HG1  VAL  88          1HG1      VAL  88  -1.366  38.290 -19.546
  655   2HG1  VAL  88          2HG1      VAL  88  -0.802  38.681 -21.156
  656   3HG1  VAL  88          3HG1      VAL  88  -2.522  38.350 -20.885
  657   1HG2  VAL  88          1HG2      VAL  88  -1.376  35.751 -18.929
  658   2HG2  VAL  88          2HG2      VAL  88  -2.938  36.165 -19.631
  659   3HG2  VAL  88          3HG2      VAL  88  -2.056  34.724 -20.183
  660    H    GLY  89           H        GLY  89  -3.080  37.120 -24.319
  661   1HA   GLY  89          1HA       GLY  89  -2.692  38.474 -26.154
  662   2HA   GLY  89          2HA       GLY  89  -1.276  39.158 -25.314
  663    H    GLU  90           H        GLU  90   0.618  38.747 -26.263
  664    HA   GLU  90           HA       GLU  90   0.987  36.162 -27.724
  665   1HB   GLU  90          1HB       GLU  90   1.498  38.846 -28.561
  666   2HB   GLU  90          2HB       GLU  90   3.059  38.084 -28.306
  667   1HG   GLU  90          1HG       GLU  90   2.379  37.742 -30.599
  668   2HG   GLU  90          2HG       GLU  90   2.391  36.190 -29.763
  669    H    LEU  91           H        LEU  91   1.868  37.802 -24.875
  670    HA   LEU  91           HA       LEU  91   4.300  36.330 -24.245
  671   1HB   LEU  91          1HB       LEU  91   3.657  38.359 -22.972
  672   2HB   LEU  91          2HB       LEU  91   2.135  37.605 -22.522
  673    HG   LEU  91           HG       LEU  91   3.450  35.815 -21.291
  674   1HD1  LEU  91          1HD1      LEU  91   5.737  37.795 -21.691
  675   2HD1  LEU  91          2HD1      LEU  91   5.757  36.377 -20.624
  676   3HD1  LEU  91          3HD1      LEU  91   5.665  36.157 -22.375
  677   1HD2  LEU  91          1HD2      LEU  91   3.849  37.215 -19.339
  678   2HD2  LEU  91          2HD2      LEU  91   3.788  38.675 -20.354
  679   3HD2  LEU  91          3HD2      LEU  91   2.336  37.665 -20.135
  680    H    LYS  92           H        LYS  92   4.396  34.279 -23.282
  681    HA   LYS  92           HA       LYS  92   1.887  32.760 -22.958
  682   1HB   LYS  92          1HB       LYS  92   2.380  31.139 -24.591
  683   2HB   LYS  92          2HB       LYS  92   2.719  32.673 -25.379
  684   1HG   LYS  92          1HG       LYS  92   5.209  32.255 -24.571
  685   2HG   LYS  92          2HG       LYS  92   4.650  30.604 -24.312
  686   1HD   LYS  92          1HD       LYS  92   5.457  30.364 -26.397
  687   2HD   LYS  92          2HD       LYS  92   3.817  30.810 -26.846
  688   1HE   LYS  92          HE2       LYS  92   6.057  32.873 -26.541
  689   2HE   LYS  92          HE3       LYS  92   5.890  31.911 -28.009
  690   1HZ   LYS  92          HZ1       LYS  92   3.910  33.877 -26.986
  691   2HZ   LYS  92          HZ2       LYS  92   4.754  33.923 -28.368
  692   3HZ   LYS  92          HZ3       LYS  92   3.590  32.776 -28.191
  693    H    HIS  93           H        HIS  93   2.262  30.554 -22.157
  694    HA   HIS  93           HA       HIS  93   4.906  29.848 -21.105
  695   1HB   HIS  93          1HB       HIS  93   3.780  31.146 -19.263
  696   2HB   HIS  93          2HB       HIS  93   2.464  29.984 -19.291
  697    HD1  HIS  93           HD1      HIS  93   3.097  27.498 -18.168
  698    HD2  HIS  93           HD2      HIS  93   6.121  30.441 -18.171
  699    HE1  HIS  93           HE1      HIS  93   4.780  26.792 -16.441
  700    H    GLN  94           H        GLN  94   5.045  27.512 -20.797
  701    HA   GLN  94           HA       GLN  94   3.001  26.011 -22.326
  702   1HB   GLN  94          1HB       GLN  94   5.480  25.785 -22.745
  703   2HB   GLN  94          2HB       GLN  94   5.635  25.039 -21.143
  704   1HG   GLN  94          1HG       GLN  94   4.070  23.237 -21.842
  705   2HG   GLN  94          2HG       GLN  94   3.842  24.035 -23.405
  706   1HE2  GLN  94          2HE2      GLN  94   4.449  21.630 -23.808
  707   2HE2  GLN  94          1HE2      GLN  94   6.181  21.402 -24.182
  708    H    TRP  95           H        TRP  95   1.639  24.449 -21.418
  709    HA   TRP  95           HA       TRP  95   1.969  23.851 -18.521
  710   1HB   TRP  95          1HB       TRP  95   0.349  25.642 -18.749
  711   2HB   TRP  95          2HB       TRP  95  -0.577  24.685 -19.914
  712    HD1  TRP  95           HD1      TRP  95  -2.469  23.353 -18.912
  713    HE1  TRP  95           HE1      TRP  95  -3.076  22.302 -16.614
  714    HE3  TRP  95           HE3      TRP  95   1.713  24.687 -16.281
  715    HZ2  TRP  95           HZ2      TRP  95  -1.770  21.848 -14.120
  716    HZ3  TRP  95           HZ3      TRP  95   2.077  23.797 -14.004
  717    HH2  TRP  95           HH2      TRP  95   0.372  22.353 -12.929
  718    H    PHE  96           H        PHE  96   2.378  21.839 -18.347
  719    HA   PHE  96           HA       PHE  96   1.102  19.681 -19.858
  720   1HB   PHE  96          1HB       PHE  96   2.803  19.634 -17.333
  721   2HB   PHE  96          2HB       PHE  96   2.342  18.246 -18.308
  722    HD1  PHE  96           HD1      PHE  96   3.060  18.383 -20.886
  723    HD2  PHE  96           HD2      PHE  96   4.903  20.631 -17.697
  724    HE1  PHE  96           HE1      PHE  96   5.101  18.680 -22.266
  725    HE2  PHE  96           HE2      PHE  96   6.938  20.924 -19.082
  726    HZ   PHE  96           HZ       PHE  96   7.042  19.949 -21.365
  727    H    GLN  97           H        GLN  97  -1.065  19.688 -19.528
  728    HA   GLN  97           HA       GLN  97  -2.275  20.283 -16.916
  729   1HB   GLN  97          1HB       GLN  97  -3.311  21.140 -18.963
  730   2HB   GLN  97          2HB       GLN  97  -3.346  19.531 -19.660
  731   1HG   GLN  97          1HG       GLN  97  -5.542  20.192 -19.028
  732   2HG   GLN  97          2HG       GLN  97  -5.065  18.822 -18.042
  733   1HE2  GLN  97          2HE2      GLN  97  -7.195  20.087 -17.241
  734   2HE2  GLN  97          1HE2      GLN  97  -6.783  20.762 -15.658
  735    H    LYS  98           H        LYS  98  -3.072  18.901 -15.485
  736    HA   LYS  98           HA       LYS  98  -3.500  16.067 -16.272
  737   1HB   LYS  98          1HB       LYS  98  -3.121  15.271 -14.107
  738   2HB   LYS  98          2HB       LYS  98  -1.696  16.172 -14.581
  739   1HG   LYS  98          1HG       LYS  98  -1.973  17.775 -12.926
  740   2HG   LYS  98          2HG       LYS  98  -3.738  17.650 -12.918
  741   1HD   LYS  98          1HD       LYS  98  -3.661  15.498 -11.784
  742   2HD   LYS  98          2HD       LYS  98  -1.899  15.451 -11.886
  743   1HE   LYS  98          HE2       LYS  98  -2.713  15.991  -9.634
  744   2HE   LYS  98          HE3       LYS  98  -1.688  17.277 -10.299
  745   1HZ   LYS  98          HZ1       LYS  98  -3.515  18.632 -10.653
  746   2HZ   LYS  98          HZ2       LYS  98  -4.629  17.407 -10.533
  747   3HZ   LYS  98          HZ3       LYS  98  -3.852  17.986  -9.186
  748    H    GLY  99           H        GLY  99  -5.363  15.036 -15.394
  749   1HA   GLY  99          1HA       GLY  99  -7.518  15.745 -13.986
  750   2HA   GLY  99          2HA       GLY  99  -7.703  16.724 -15.458
  Start of MODEL   14
    1   1H    ILE   1           H1       ILE   1 -10.979  46.005  -9.338
    2   2H    ILE   1           H2       ILE   1 -10.013  45.181  -8.325
    3   3H    ILE   1           H3       ILE   1 -10.210  44.687  -9.917
    4    HA   ILE   1           HA       ILE   1 -11.443  43.272  -8.350
    5    HB   ILE   1           HB       ILE   1 -13.173  45.739  -7.969
    6   1HG1  ILE   1          2HG1      ILE   1 -11.236  46.120  -6.617
    7   2HG1  ILE   1          3HG1      ILE   1 -12.551  45.621  -5.578
    8   1HG2  ILE   1          1HG2      ILE   1 -13.355  42.890  -6.882
    9   2HG2  ILE   1          2HG2      ILE   1 -14.358  44.249  -6.338
   10   3HG2  ILE   1          3HG2      ILE   1 -14.481  43.679  -8.001
   11   1HD1  ILE   1          1HD1      ILE   1 -11.573  43.325  -5.426
   12   2HD1  ILE   1          2HD1      ILE   1 -10.219  43.853  -6.456
   13   3HD1  ILE   1          3HD1      ILE   1 -10.463  44.583  -4.863
   14    H    SER   2           H        SER   2 -12.872  45.854 -10.398
   15    HA   SER   2           HA       SER   2 -15.048  44.561 -11.441
   16   1HB   SER   2          1HB       SER   2 -15.026  46.297 -13.106
   17   2HB   SER   2          2HB       SER   2 -14.616  46.930 -11.514
   18    HG   SER   2           HG       SER   2 -12.228  46.580 -12.378
   19    H    LYS   3           H        LYS   3 -14.838  42.464 -12.095
   20    HA   LYS   3           HA       LYS   3 -13.186  41.603 -14.365
   21   1HB   LYS   3          1HB       LYS   3 -15.470  40.284 -12.861
   22   2HB   LYS   3          2HB       LYS   3 -14.528  39.498 -14.118
   23   1HG   LYS   3          1HG       LYS   3 -13.422  40.521 -11.474
   24   2HG   LYS   3          2HG       LYS   3 -13.794  38.862 -11.860
   25   1HD   LYS   3          1HD       LYS   3 -11.809  38.503 -12.797
   26   2HD   LYS   3          2HD       LYS   3 -11.968  39.852 -13.897
   27   1HE   LYS   3          HE2       LYS   3 -10.960  40.012 -11.016
   28   2HE   LYS   3          HE3       LYS   3  -9.947  40.010 -12.470
   29   1HZ   LYS   3          HZ1       LYS   3 -11.094  42.070 -13.153
   30   2HZ   LYS   3          HZ2       LYS   3 -11.909  42.092 -11.700
   31   3HZ   LYS   3          HZ3       LYS   3 -10.307  42.342 -11.769
   32    H    GLY   4           H        GLY   4 -14.647  43.881 -14.973
   33   1HA   GLY   4          1HA       GLY   4 -17.135  43.912 -16.064
   34   2HA   GLY   4          2HA       GLY   4 -15.798  44.880 -16.670
   35    H    LEU   5           H        LEU   5 -18.095  42.571 -17.456
   36    HA   LEU   5           HA       LEU   5 -16.945  41.164 -19.632
   37   1HB   LEU   5          1HB       LEU   5 -19.779  41.868 -18.811
   38   2HB   LEU   5          2HB       LEU   5 -19.466  41.137 -20.372
   39    HG   LEU   5           HG       LEU   5 -18.255  39.244 -19.221
   40   1HD1  LEU   5          1HD1      LEU   5 -17.853  40.214 -16.997
   41   2HD1  LEU   5          2HD1      LEU   5 -19.604  40.428 -16.750
   42   3HD1  LEU   5          3HD1      LEU   5 -18.901  38.802 -16.856
   43   1HD2  LEU   5          1HD2      LEU   5 -20.538  39.050 -20.123
   44   2HD2  LEU   5          2HD2      LEU   5 -20.366  38.105 -18.638
   45   3HD2  LEU   5          3HD2      LEU   5 -21.209  39.670 -18.599
   46    H    THR   6           H        THR   6 -17.512  44.529 -19.526
   47    HA   THR   6           HA       THR   6 -17.746  44.739 -22.492
   48    HB   THR   6           HB       THR   6 -18.796  46.976 -21.928
   49    HG1  THR   6           HG1      THR   6 -19.639  47.070 -19.815
   50   1HG2  THR   6          1HG2      THR   6 -20.241  44.489 -20.915
   51   2HG2  THR   6          2HG2      THR   6 -20.984  46.010 -21.454
   52   3HG2  THR   6          3HG2      THR   6 -20.117  44.993 -22.614
   53    H    TYR   7           H        TYR   7 -15.306  45.153 -20.211
   54    HA   TYR   7           HA       TYR   7 -14.197  47.626 -21.268
   55   1HB   TYR   7          1HB       TYR   7 -12.797  45.262 -19.974
   56   2HB   TYR   7          2HB       TYR   7 -12.075  46.832 -20.287
   57    HD1  TYR   7           HD1      TYR   7 -14.624  48.508 -19.307
   58    HD2  TYR   7           HD2      TYR   7 -12.229  45.316 -17.661
   59    HE1  TYR   7           HE1      TYR   7 -15.086  49.329 -17.013
   60    HE2  TYR   7           HE2      TYR   7 -12.706  46.148 -15.368
   61    HH   TYR   7           HH       TYR   7 -13.704  47.775 -14.089
   62    H    THR   8           H        THR   8 -12.454  47.892 -22.693
   63    HA   THR   8           HA       THR   8 -12.430  46.172 -25.034
   64    HB   THR   8           HB       THR   8 -12.129  48.652 -25.110
   65    HG1  THR   8           HG1      THR   8 -10.553  48.454 -26.734
   66   1HG2  THR   8          1HG2      THR   8  -9.930  49.632 -24.792
   67   2HG2  THR   8          2HG2      THR   8 -10.454  48.927 -23.253
   68   3HG2  THR   8          3HG2      THR   8  -9.252  48.085 -24.257
   69    H    MET   9           H        MET   9 -10.200  45.567 -25.946
   70    HA   MET   9           HA       MET   9  -9.188  43.481 -24.118
   71   1HB   MET   9          1HB       MET   9  -8.467  44.098 -27.013
   72   2HB   MET   9          2HB       MET   9  -7.980  42.658 -26.106
   73   1HG   MET   9          1HG       MET   9 -10.849  43.442 -26.765
   74   2HG   MET   9          2HG       MET   9  -9.891  42.241 -27.620
   75   1HE   MET   9          1HE       MET   9 -12.631  40.111 -25.854
   76   2HE   MET   9          2HE       MET   9 -12.910  41.837 -26.185
   77   3HE   MET   9          3HE       MET   9 -12.047  40.830 -27.372
   78    H    CYS  10           H        CYS  10  -7.172  43.321 -23.254
   79    HA   CYS  10           HA       CYS  10  -5.412  45.617 -23.108
   80   1HB   CYS  10          1HB       CYS  10  -4.868  42.706 -22.553
   81   2HB   CYS  10          2HB       CYS  10  -3.955  44.038 -21.918
   82    H    ASP  11           H        ASP  11  -3.392  45.968 -24.134
   83    HA   ASP  11           HA       ASP  11  -2.787  44.989 -26.712
   84   1HB   ASP  11          1HB       ASP  11  -1.997  47.117 -25.891
   85   2HB   ASP  11          2HB       ASP  11  -1.056  46.342 -24.624
   86    H    LYS  12           H        LYS  12  -2.147  43.116 -27.346
   87    HA   LYS  12           HA       LYS  12  -1.515  40.907 -25.780
   88   1HB   LYS  12          1HB       LYS  12  -0.759  41.404 -28.690
   89   2HB   LYS  12          2HB       LYS  12  -0.815  39.833 -27.898
   90   1HG   LYS  12          1HG       LYS  12  -3.298  40.315 -27.407
   91   2HG   LYS  12          2HG       LYS  12  -3.161  41.637 -28.575
   92   1HD   LYS  12          1HD       LYS  12  -2.529  38.696 -29.105
   93   2HD   LYS  12          2HD       LYS  12  -4.021  39.519 -29.582
   94   1HE   LYS  12          HE2       LYS  12  -2.867  40.930 -31.155
   95   2HE   LYS  12          HE3       LYS  12  -1.282  40.452 -30.522
   96   1HZ   LYS  12          HZ1       LYS  12  -1.585  38.255 -31.305
   97   2HZ   LYS  12          HZ2       LYS  12  -3.118  38.554 -31.844
   98   3HZ   LYS  12          HZ3       LYS  12  -1.815  39.270 -32.570
   99    H    ALA  13           H        ALA  13   0.712  43.423 -26.634
  100    HA   ALA  13           HA       ALA  13   3.075  41.695 -26.023
  101   1HB   ALA  13          1HB       ALA  13   2.970  42.671 -28.280
  102   2HB   ALA  13          2HB       ALA  13   2.851  44.300 -27.574
  103   3HB   ALA  13          3HB       ALA  13   4.325  43.332 -27.348
  104    H    LYS  14           H        LYS  14   1.165  43.559 -24.183
  105    HA   LYS  14           HA       LYS  14   3.447  44.942 -22.774
  106   1HB   LYS  14          1HB       LYS  14   0.483  45.505 -22.834
  107   2HB   LYS  14          2HB       LYS  14   1.590  46.377 -21.797
  108   1HG   LYS  14          1HG       LYS  14   1.698  46.243 -24.805
  109   2HG   LYS  14          2HG       LYS  14   0.980  47.573 -23.882
  110   1HD   LYS  14          1HD       LYS  14   3.222  48.091 -22.934
  111   2HD   LYS  14          2HD       LYS  14   3.931  46.788 -23.907
  112   1HE   LYS  14          HE2       LYS  14   2.548  49.307 -24.919
  113   2HE   LYS  14          HE3       LYS  14   4.273  48.922 -25.017
  114   1HZ   LYS  14          HZ1       LYS  14   3.573  46.974 -26.424
  115   2HZ   LYS  14          HZ2       LYS  14   2.040  47.578 -26.452
  116   3HZ   LYS  14          HZ3       LYS  14   3.258  48.441 -27.122
  117    H    PHE  15           H        PHE  15   1.916  42.118 -22.424
  118    HA   PHE  15           HA       PHE  15   1.393  42.195 -19.536
  119   1HB   PHE  15          1HB       PHE  15   1.313  40.026 -21.668
  120   2HB   PHE  15          2HB       PHE  15   1.070  39.680 -19.963
  121    HD1  PHE  15           HD1      PHE  15  -0.671  41.019 -18.656
  122    HD2  PHE  15           HD2      PHE  15  -0.587  40.738 -22.961
  123    HE1  PHE  15           HE1      PHE  15  -3.119  41.458 -18.730
  124    HE2  PHE  15           HE2      PHE  15  -3.004  41.227 -23.036
  125    HZ   PHE  15           HZ       PHE  15  -4.283  41.488 -20.877
  126    H    THR  16           H        THR  16   2.346  40.993 -17.988
  127    HA   THR  16           HA       THR  16   4.850  39.502 -18.484
  128    HB   THR  16           HB       THR  16   5.851  40.493 -16.455
  129    HG1  THR  16           HG1      THR  16   3.510  42.101 -16.531
  130   1HG2  THR  16          1HG2      THR  16   6.525  42.636 -17.337
  131   2HG2  THR  16          2HG2      THR  16   6.391  41.494 -18.690
  132   3HG2  THR  16          3HG2      THR  16   5.123  42.710 -18.415
  133    H    TRP  17           H        TRP  17   5.030  37.681 -17.125
  134    HA   TRP  17           HA       TRP  17   2.605  36.681 -15.919
  135   1HB   TRP  17          1HB       TRP  17   5.448  35.634 -16.073
  136   2HB   TRP  17          2HB       TRP  17   4.161  34.792 -15.226
  137    HD1  TRP  17           HD1      TRP  17   5.793  34.656 -18.419
  138    HE1  TRP  17           HE1      TRP  17   4.374  33.404 -20.191
  139    HE3  TRP  17           HE3      TRP  17   1.258  34.713 -16.022
  140    HZ2  TRP  17           HZ2      TRP  17   1.629  32.592 -20.512
  141    HZ3  TRP  17           HZ3      TRP  17  -0.719  33.703 -17.095
  142    HH2  TRP  17           HH2      TRP  17  -0.542  32.605 -19.314
  143    H    LYS  18           H        LYS  18   1.855  37.437 -14.064
  144    HA   LYS  18           HA       LYS  18   3.570  38.269 -11.791
  145   1HB   LYS  18          1HB       LYS  18   1.271  39.318 -12.529
  146   2HB   LYS  18          2HB       LYS  18   0.555  37.919 -11.729
  147   1HG   LYS  18          1HG       LYS  18   2.094  38.727  -9.707
  148   2HG   LYS  18          2HG       LYS  18   2.098  40.253 -10.590
  149   1HD   LYS  18          1HD       LYS  18  -0.265  38.748  -9.435
  150   2HD   LYS  18          2HD       LYS  18   0.374  40.284  -8.882
  151   1HE   LYS  18          HE2       LYS  18  -0.404  41.394 -10.962
  152   2HE   LYS  18          HE3       LYS  18  -0.979  39.844 -11.577
  153   1HZ   LYS  18          HZ1       LYS  18  -2.466  39.723  -9.610
  154   2HZ   LYS  18          HZ2       LYS  18  -2.046  41.244  -9.199
  155   3HZ   LYS  18          HZ3       LYS  18  -2.864  40.973 -10.610
  156    H    ARG  19           H        ARG  19   1.489  35.647 -12.839
  157    HA   ARG  19           HA       ARG  19   2.887  33.702 -11.103
  158   1HB   ARG  19          1HB       ARG  19   0.696  34.529  -9.982
  159   2HB   ARG  19          2HB       ARG  19  -0.145  33.705 -11.300
  160   1HG   ARG  19          1HG       ARG  19   1.188  31.596 -10.558
  161   2HG   ARG  19          2HG       ARG  19   1.518  32.516  -9.082
  162   1HD   ARG  19          1HD       ARG  19  -1.146  31.587 -10.205
  163   2HD   ARG  19          2HD       ARG  19  -0.408  31.177  -8.651
  164    HE   ARG  19           HE       ARG  19  -1.042  34.047  -8.935
  165   1HH1  ARG  19          1HH1      ARG  19  -2.476  30.988  -8.001
  166   2HH1  ARG  19          2HH1      ARG  19  -3.787  31.779  -7.157
  167   1HH2  ARG  19          1HH2      ARG  19  -2.664  34.971  -7.973
  168   2HH2  ARG  19          2HH2      ARG  19  -3.896  34.050  -7.110
  169    H    ALA  20           H        ALA  20   3.756  32.446 -12.742
  170    HA   ALA  20           HA       ALA  20   2.597  32.158 -15.338
  171   1HB   ALA  20          1HB       ALA  20   4.586  30.382 -13.857
  172   2HB   ALA  20          2HB       ALA  20   4.250  30.328 -15.598
  173   3HB   ALA  20          3HB       ALA  20   4.983  31.777 -14.892
  174    HA   PRO  21           HA       PRO  21  -0.683  29.313 -14.804
  175   1HB   PRO  21          1HB       PRO  21   0.503  27.567 -16.945
  176   2HB   PRO  21          2HB       PRO  21  -1.176  28.182 -16.754
  177   1HG   PRO  21          1HG       PRO  21   0.547  29.349 -18.502
  178   2HG   PRO  21          2HG       PRO  21  -0.553  30.351 -17.502
  179   1HD   PRO  21          1HD       PRO  21   2.378  29.745 -17.060
  180   2HD   PRO  21          2HD       PRO  21   1.499  31.293 -16.892
  181    H    THR  22           H        THR  22  -1.098  27.948 -13.260
  182    HA   THR  22           HA       THR  22   0.530  25.509 -12.864
  183    HB   THR  22           HB       THR  22   1.600  27.151 -11.427
  184    HG1  THR  22           HG1      THR  22  -0.009  25.607  -9.717
  185   1HG2  THR  22          1HG2      THR  22   0.484  28.198  -9.536
  186   2HG2  THR  22          2HG2      THR  22  -0.310  28.715 -11.033
  187   3HG2  THR  22          3HG2      THR  22  -1.071  27.477  -9.999
  188    H    ASP  23           H        ASP  23  -0.518  23.976 -11.420
  189    HA   ASP  23           HA       ASP  23  -3.366  23.765 -11.853
  190   1HB   ASP  23          1HB       ASP  23  -1.576  21.901 -11.541
  191   2HB   ASP  23          2HB       ASP  23  -1.770  22.186  -9.814
  192    H    SER  24           H        SER  24  -5.034  23.935 -10.351
  193    HA   SER  24           HA       SER  24  -4.735  25.778  -8.090
  194   1HB   SER  24          1HB       SER  24  -7.215  25.519  -8.051
  195   2HB   SER  24          2HB       SER  24  -6.617  25.887  -9.685
  196    HG   SER  24           HG       SER  24  -7.861  24.196 -10.081
  197    H    GLY  25           H        GLY  25  -4.732  22.286  -8.445
  198   1HA   GLY  25          1HA       GLY  25  -4.767  20.670  -6.705
  199   2HA   GLY  25          2HA       GLY  25  -5.519  21.824  -5.603
  200    H    HIS  26           H        HIS  26  -7.260  22.396  -8.322
  201    HA   HIS  26           HA       HIS  26  -9.328  20.329  -7.760
  202   1HB   HIS  26          1HB       HIS  26  -9.666  22.706  -9.578
  203   2HB   HIS  26          2HB       HIS  26 -10.891  21.807  -8.714
  204    HD1  HIS  26           HD1      HIS  26 -10.098  25.129  -8.705
  205    HD2  HIS  26           HD2      HIS  26  -9.751  22.149  -5.708
  206    HE1  HIS  26           HE1      HIS  26 -10.139  26.320  -6.457
  207    H    ASP  27           H        ASP  27  -6.744  20.354  -9.729
  208    HA   ASP  27           HA       ASP  27  -6.151  19.780 -11.843
  209   1HB   ASP  27          1HB       ASP  27  -8.778  18.265 -12.027
  210   2HB   ASP  27          2HB       ASP  27  -7.386  18.108 -13.090
  211    H    THR  28           H        THR  28  -7.523  22.211 -11.260
  212    HA   THR  28           HA       THR  28  -8.200  23.096 -14.026
  213    HB   THR  28           HB       THR  28  -9.262  25.078 -13.050
  214    HG1  THR  28           HG1      THR  28  -9.434  25.400 -10.859
  215   1HG2  THR  28          1HG2      THR  28 -10.400  22.523 -11.818
  216   2HG2  THR  28          2HG2      THR  28 -11.237  24.078 -11.910
  217   3HG2  THR  28          3HG2      THR  28 -10.809  23.211 -13.397
  218    H    VAL  29           H        VAL  29  -7.305  25.343 -14.413
  219    HA   VAL  29           HA       VAL  29  -4.505  25.455 -13.413
  220    HB   VAL  29           HB       VAL  29  -5.490  26.170 -16.197
  221   1HG1  VAL  29          1HG1      VAL  29  -3.371  27.265 -15.507
  222   2HG1  VAL  29          2HG1      VAL  29  -2.701  25.686 -15.045
  223   3HG1  VAL  29          3HG1      VAL  29  -3.077  26.032 -16.740
  224   1HG2  VAL  29          1HG2      VAL  29  -4.190  23.600 -15.209
  225   2HG2  VAL  29          2HG2      VAL  29  -5.821  23.753 -15.886
  226   3HG2  VAL  29          3HG2      VAL  29  -4.429  24.051 -16.922
  227    H    VAL  30           H        VAL  30  -4.034  27.209 -12.364
  228    HA   VAL  30           HA       VAL  30  -5.573  29.731 -12.803
  229    HB   VAL  30           HB       VAL  30  -4.675  30.498 -10.648
  230   1HG1  VAL  30          1HG1      VAL  30  -6.276  27.927 -10.473
  231   2HG1  VAL  30          2HG1      VAL  30  -6.141  29.151  -9.195
  232   3HG1  VAL  30          3HG1      VAL  30  -6.904  29.567 -10.732
  233   1HG2  VAL  30          1HG2      VAL  30  -3.680  27.652 -10.248
  234   2HG2  VAL  30          2HG2      VAL  30  -2.681  29.114 -10.416
  235   3HG2  VAL  30          3HG2      VAL  30  -3.742  28.918  -9.013
  236    H    MET  31           H        MET  31  -4.461  31.653 -13.122
  237    HA   MET  31           HA       MET  31  -1.562  31.742 -13.072
  238   1HB   MET  31          1HB       MET  31  -1.113  32.264 -15.360
  239   2HB   MET  31          2HB       MET  31  -2.028  30.772 -15.355
  240   1HG   MET  31          1HG       MET  31  -4.056  32.551 -15.536
  241   2HG   MET  31          2HG       MET  31  -2.807  33.455 -16.367
  242   1HE   MET  31          1HE       MET  31  -4.654  29.386 -17.578
  243   2HE   MET  31          2HE       MET  31  -3.667  29.566 -16.128
  244   3HE   MET  31          3HE       MET  31  -5.220  30.420 -16.244
  245    H    GLU  32           H        GLU  32  -0.794  34.009 -13.690
  246    HA   GLU  32           HA       GLU  32  -2.869  36.063 -13.419
  247   1HB   GLU  32          1HB       GLU  32  -2.164  35.025 -11.133
  248   2HB   GLU  32          2HB       GLU  32  -0.674  35.959 -11.341
  249   1HG   GLU  32          1HG       GLU  32  -1.959  38.027 -11.441
  250   2HG   GLU  32          2HG       GLU  32  -3.467  37.131 -11.375
  251    H    VAL  33           H        VAL  33  -2.202  38.142 -14.038
  252    HA   VAL  33           HA       VAL  33   0.650  38.479 -14.889
  253    HB   VAL  33           HB       VAL  33  -0.153  39.653 -16.917
  254   1HG1  VAL  33          1HG1      VAL  33  -1.000  36.746 -16.834
  255   2HG1  VAL  33          2HG1      VAL  33  -0.383  37.689 -18.217
  256   3HG1  VAL  33          3HG1      VAL  33   0.685  37.298 -16.885
  257   1HG2  VAL  33          1HG2      VAL  33  -2.844  38.356 -16.332
  258   2HG2  VAL  33          2HG2      VAL  33  -2.497  40.089 -16.125
  259   3HG2  VAL  33          3HG2      VAL  33  -2.407  39.357 -17.721
  260    H    ALA  34           H        ALA  34   1.402  40.520 -15.326
  261    HA   ALA  34           HA       ALA  34  -0.067  42.836 -14.160
  262   1HB   ALA  34          1HB       ALA  34   2.909  42.217 -13.990
  263   2HB   ALA  34          2HB       ALA  34   2.169  43.769 -13.552
  264   3HB   ALA  34          3HB       ALA  34   1.757  42.298 -12.649
  265    H    PHE  35           H        PHE  35  -0.288  44.516 -15.535
  266    HA   PHE  35           HA       PHE  35   0.636  44.061 -18.333
  267   1HB   PHE  35          1HB       PHE  35  -1.640  43.359 -17.983
  268   2HB   PHE  35          2HB       PHE  35  -2.026  44.861 -17.154
  269    HD1  PHE  35           HD1      PHE  35  -0.765  43.677 -20.505
  270    HD2  PHE  35           HD2      PHE  35  -3.129  46.547 -18.309
  271    HE1  PHE  35           HE1      PHE  35  -1.477  44.746 -22.613
  272    HE2  PHE  35           HE2      PHE  35  -3.798  47.594 -20.445
  273    HZ   PHE  35           HZ       PHE  35  -2.920  46.776 -22.577
  274    H    SER  36           H        SER  36   1.431  45.643 -19.451
  275    HA   SER  36           HA       SER  36   2.026  48.150 -18.081
  276   1HB   SER  36          1HB       SER  36   3.170  47.374 -20.756
  277   2HB   SER  36          2HB       SER  36   3.889  48.307 -19.448
  278    HG   SER  36           HG       SER  36   3.417  45.494 -19.595
  279    H    GLY  37           H        GLY  37  -0.485  47.450 -20.125
  280   1HA   GLY  37          1HA       GLY  37  -0.423  50.068 -21.573
  281   2HA   GLY  37          2HA       GLY  37  -1.355  48.654 -22.039
  282    H    THR  38           H        THR  38  -3.164  50.155 -22.186
  283    HA   THR  38           HA       THR  38  -4.166  51.927 -20.463
  284    HB   THR  38           HB       THR  38  -6.186  50.169 -21.803
  285    HG1  THR  38           HG1      THR  38  -5.529  50.835 -23.828
  286   1HG2  THR  38          1HG2      THR  38  -6.689  52.478 -20.936
  287   2HG2  THR  38          2HG2      THR  38  -5.519  53.126 -22.111
  288   3HG2  THR  38          3HG2      THR  38  -6.986  52.298 -22.674
  289    H    LYS  39           H        LYS  39  -5.345  52.032 -18.601
  290    HA   LYS  39           HA       LYS  39  -6.558  49.523 -17.538
  291   1HB   LYS  39          1HB       LYS  39  -5.813  51.996 -15.939
  292   2HB   LYS  39          2HB       LYS  39  -6.469  50.483 -15.319
  293   1HG   LYS  39          1HG       LYS  39  -3.709  50.947 -16.514
  294   2HG   LYS  39          2HG       LYS  39  -4.109  50.598 -14.832
  295   1HD   LYS  39          1HD       LYS  39  -4.956  48.340 -15.529
  296   2HD   LYS  39          2HD       LYS  39  -4.432  48.667 -17.178
  297   1HE   LYS  39          HE2       LYS  39  -2.626  48.536 -14.729
  298   2HE   LYS  39          HE3       LYS  39  -2.830  47.281 -15.948
  299   1HZ   LYS  39          HZ1       LYS  39  -0.955  48.366 -16.661
  300   2HZ   LYS  39          HZ2       LYS  39  -2.090  49.120 -17.592
  301   3HZ   LYS  39          HZ3       LYS  39  -1.506  49.884 -16.273
  302    HA   PRO  40           HA       PRO  40  -8.364  48.696 -16.737
  303   1HB   PRO  40          1HB       PRO  40 -10.852  47.891 -17.252
  304   2HB   PRO  40          2HB       PRO  40 -10.570  49.109 -15.971
  305   1HG   PRO  40          1HG       PRO  40 -11.426  49.604 -18.851
  306   2HG   PRO  40          2HG       PRO  40 -12.177  50.244 -17.355
  307   1HD   PRO  40          1HD       PRO  40 -10.285  51.621 -18.834
  308   2HD   PRO  40          2HD       PRO  40 -10.477  51.831 -17.070
  309    H    CYS  41           H        CYS  41  -8.492  46.563 -17.897
  310    HA   CYS  41           HA       CYS  41  -9.633  46.594 -20.575
  311   1HB   CYS  41          1HB       CYS  41  -7.699  45.723 -21.752
  312   2HB   CYS  41          2HB       CYS  41  -7.346  47.297 -21.062
  313    H    ARG  42           H        ARG  42  -9.913  44.494 -21.483
  314    HA   ARG  42           HA       ARG  42 -10.255  42.239 -19.576
  315   1HB   ARG  42          1HB       ARG  42 -12.034  42.961 -21.224
  316   2HB   ARG  42          2HB       ARG  42 -10.933  42.487 -22.527
  317   1HG   ARG  42          1HG       ARG  42 -10.909  40.123 -21.361
  318   2HG   ARG  42          2HG       ARG  42 -12.296  40.728 -20.446
  319   1HD   ARG  42          1HD       ARG  42 -12.003  40.185 -23.404
  320   2HD   ARG  42          2HD       ARG  42 -13.224  39.572 -22.301
  321    HE   ARG  42           HE       ARG  42 -13.043  42.372 -23.383
  322   1HH1  ARG  42          1HH1      ARG  42 -15.109  40.031 -21.672
  323   2HH1  ARG  42          2HH1      ARG  42 -16.517  41.043 -22.043
  324   1HH2  ARG  42          1HH2      ARG  42 -14.781  43.684 -23.250
  325   2HH2  ARG  42          2HH2      ARG  42 -16.347  42.942 -22.833
  326    H    ILE  43           H        ILE  43  -9.036  40.447 -19.635
  327    HA   ILE  43           HA       ILE  43  -6.458  40.671 -20.932
  328    HB   ILE  43           HB       ILE  43  -7.556  38.462 -19.164
  329   1HG1  ILE  43          2HG1      ILE  43  -5.869  40.958 -18.613
  330   2HG1  ILE  43          3HG1      ILE  43  -7.499  40.658 -18.032
  331   1HG2  ILE  43          1HG2      ILE  43  -4.698  39.183 -19.924
  332   2HG2  ILE  43          2HG2      ILE  43  -5.209  37.808 -18.930
  333   3HG2  ILE  43          3HG2      ILE  43  -5.596  37.833 -20.646
  334   1HD1  ILE  43          1HD1      ILE  43  -5.995  40.362 -16.229
  335   2HD1  ILE  43          2HD1      ILE  43  -6.639  38.767 -16.638
  336   3HD1  ILE  43          3HD1      ILE  43  -4.993  39.220 -17.131
  337    HA   PRO  44           HA       PRO  44  -7.940  38.300 -24.545
  338   1HB   PRO  44          1HB       PRO  44  -5.791  38.618 -26.167
  339   2HB   PRO  44          2HB       PRO  44  -6.880  39.986 -25.771
  340   1HG   PRO  44          1HG       PRO  44  -4.245  39.285 -24.440
  341   2HG   PRO  44          2HG       PRO  44  -4.756  40.863 -25.087
  342   1HD   PRO  44          1HD       PRO  44  -4.986  40.127 -22.457
  343   2HD   PRO  44          2HD       PRO  44  -6.174  41.222 -23.246
  344    H    VAL  45           H        VAL  45  -7.993  36.454 -23.237
  345    HA   VAL  45           HA       VAL  45  -5.499  34.871 -22.993
  346    HB   VAL  45           HB       VAL  45  -7.303  35.970 -21.075
  347   1HG1  VAL  45          1HG1      VAL  45  -8.709  33.958 -21.128
  348   2HG1  VAL  45          2HG1      VAL  45  -7.273  32.946 -20.853
  349   3HG1  VAL  45          3HG1      VAL  45  -7.806  34.092 -19.612
  350   1HG2  VAL  45          1HG2      VAL  45  -5.573  35.463 -19.644
  351   2HG2  VAL  45          2HG2      VAL  45  -5.065  34.012 -20.548
  352   3HG2  VAL  45          3HG2      VAL  45  -4.787  35.660 -21.166
  353    H    ARG  46           H        ARG  46  -5.342  32.805 -23.244
  354    HA   ARG  46           HA       ARG  46  -7.516  31.040 -24.032
  355   1HB   ARG  46          1HB       ARG  46  -6.660  30.693 -26.358
  356   2HB   ARG  46          2HB       ARG  46  -7.312  32.315 -26.113
  357   1HG   ARG  46          1HG       ARG  46  -4.941  33.113 -25.720
  358   2HG   ARG  46          2HG       ARG  46  -4.382  31.495 -26.198
  359   1HD   ARG  46          1HD       ARG  46  -5.014  31.827 -28.440
  360   2HD   ARG  46          2HD       ARG  46  -6.085  33.183 -28.035
  361    HE   ARG  46           HE       ARG  46  -4.016  34.423 -27.301
  362   1HH1  ARG  46          1HH1      ARG  46  -3.588  32.090 -29.940
  363   2HH1  ARG  46          2HH1      ARG  46  -2.147  32.940 -30.456
  364   1HH2  ARG  46          1HH2      ARG  46  -2.130  35.290 -27.962
  365   2HH2  ARG  46          2HH2      ARG  46  -1.367  34.741 -29.414
  366    H    ALA  47           H        ALA  47  -6.705  28.904 -24.470
  367    HA   ALA  47           HA       ALA  47  -3.800  28.413 -23.965
  368   1HB   ALA  47          1HB       ALA  47  -4.989  27.794 -21.892
  369   2HB   ALA  47          2HB       ALA  47  -6.135  26.808 -22.829
  370   3HB   ALA  47          3HB       ALA  47  -4.425  26.342 -22.762
  371    H    VAL  48           H        VAL  48  -2.881  27.104 -25.518
  372    HA   VAL  48           HA       VAL  48  -4.820  25.908 -27.471
  373    HB   VAL  48           HB       VAL  48  -3.546  26.565 -29.266
  374   1HG1  VAL  48          1HG1      VAL  48  -3.615  28.959 -27.379
  375   2HG1  VAL  48          2HG1      VAL  48  -3.630  29.000 -29.144
  376   3HG1  VAL  48          3HG1      VAL  48  -5.007  28.304 -28.277
  377   1HG2  VAL  48          1HG2      VAL  48  -1.407  27.557 -27.366
  378   2HG2  VAL  48          2HG2      VAL  48  -1.250  26.270 -28.579
  379   3HG2  VAL  48          3HG2      VAL  48  -1.456  27.951 -29.088
  380    H    ALA  49           H        ALA  49  -4.764  23.834 -27.756
  381    HA   ALA  49           HA       ALA  49  -2.858  22.219 -26.292
  382   1HB   ALA  49          1HB       ALA  49  -5.092  21.473 -28.226
  383   2HB   ALA  49          2HB       ALA  49  -4.197  20.338 -27.190
  384   3HB   ALA  49          3HB       ALA  49  -5.203  21.590 -26.451
  385    H    HIS  50           H        HIS  50  -1.395  20.744 -27.048
  386    HA   HIS  50           HA       HIS  50   0.387  21.369 -28.983
  387   1HB   HIS  50          1HB       HIS  50   0.580  19.721 -27.125
  388   2HB   HIS  50          2HB       HIS  50  -0.233  18.523 -28.127
  389    HD1  HIS  50           HD1      HIS  50   3.099  20.072 -27.465
  390    HD2  HIS  50           HD2      HIS  50   1.188  17.825 -30.490
  391    HE1  HIS  50           HE1      HIS  50   4.950  19.187 -29.034
  392    H    GLY  51           H        GLY  51  -0.251  21.939 -30.980
  393   1HA   GLY  51          1HA       GLY  51   0.029  20.744 -33.227
  394   2HA   GLY  51          2HA       GLY  51  -1.447  19.884 -32.805
  395    H    ALA  52           H        ALA  52  -2.468  22.603 -31.552
  396    HA   ALA  52           HA       ALA  52  -3.142  23.958 -34.142
  397   1HB   ALA  52          1HB       ALA  52  -5.140  22.874 -32.136
  398   2HB   ALA  52          2HB       ALA  52  -5.511  23.866 -33.565
  399   3HB   ALA  52          3HB       ALA  52  -4.816  22.247 -33.770
  400    HA   PRO  53           HA       PRO  53  -2.256  27.160 -30.927
  401   1HB   PRO  53          1HB       PRO  53  -1.000  28.987 -32.518
  402   2HB   PRO  53          2HB       PRO  53  -0.173  27.556 -31.828
  403   1HG   PRO  53          1HG       PRO  53  -1.414  27.832 -34.588
  404   2HG   PRO  53          2HG       PRO  53   0.234  27.252 -34.174
  405   1HD   PRO  53          1HD       PRO  53  -1.812  25.533 -34.634
  406   2HD   PRO  53          2HD       PRO  53  -0.606  25.189 -33.355
  407    H    ASP  54           H        ASP  54  -4.011  27.089 -33.874
  408    HA   ASP  54           HA       ASP  54  -5.394  29.562 -33.821
  409   1HB   ASP  54          1HB       ASP  54  -6.452  26.942 -34.922
  410   2HB   ASP  54          2HB       ASP  54  -6.646  28.564 -35.576
  411    H    VAL  55           H        VAL  55  -5.808  26.690 -31.857
  412    HA   VAL  55           HA       VAL  55  -8.705  27.287 -31.405
  413    HB   VAL  55           HB       VAL  55  -7.242  24.630 -31.240
  414   1HG1  VAL  55          1HG1      VAL  55  -9.077  24.702 -29.590
  415   2HG1  VAL  55          2HG1      VAL  55 -10.190  25.332 -30.822
  416   3HG1  VAL  55          3HG1      VAL  55  -9.536  23.684 -30.954
  417   1HG2  VAL  55          1HG2      VAL  55  -7.604  25.354 -33.567
  418   2HG2  VAL  55          2HG2      VAL  55  -8.705  24.034 -33.164
  419   3HG2  VAL  55          3HG2      VAL  55  -9.309  25.706 -33.216
  420    H    ASP  56           H        ASP  56  -9.009  28.368 -29.608
  421    HA   ASP  56           HA       ASP  56  -7.485  27.984 -27.188
  422   1HB   ASP  56          1HB       ASP  56  -8.723  30.076 -27.709
  423   2HB   ASP  56          2HB       ASP  56 -10.246  29.197 -27.523
  424    H    VAL  57           H        VAL  57  -7.706  26.455 -25.742
  425    HA   VAL  57           HA       VAL  57 -10.127  24.689 -25.644
  426    HB   VAL  57           HB       VAL  57  -8.809  22.919 -24.768
  427   1HG1  VAL  57          1HG1      VAL  57  -7.446  22.334 -26.653
  428   2HG1  VAL  57          2HG1      VAL  57  -8.858  23.224 -27.248
  429   3HG1  VAL  57          3HG1      VAL  57  -7.280  24.034 -27.146
  430   1HG2  VAL  57          1HG2      VAL  57  -6.375  22.978 -24.531
  431   2HG2  VAL  57          2HG2      VAL  57  -6.336  24.682 -24.921
  432   3HG2  VAL  57          3HG2      VAL  57  -7.124  24.143 -23.426
  433    H    ALA  58           H        ALA  58  -8.935  27.339 -24.070
  434    HA   ALA  58           HA       ALA  58  -9.109  26.543 -21.310
  435   1HB   ALA  58          1HB       ALA  58  -7.845  28.506 -22.103
  436   2HB   ALA  58          2HB       ALA  58  -9.351  29.266 -22.662
  437   3HB   ALA  58          3HB       ALA  58  -9.105  28.981 -20.936
  438    H    MET  59           H        MET  59 -10.961  25.767 -20.429
  439    HA   MET  59           HA       MET  59 -13.497  27.326 -20.843
  440   1HB   MET  59          1HB       MET  59 -13.029  24.692 -19.394
  441   2HB   MET  59          2HB       MET  59 -14.578  25.540 -19.572
  442   1HG   MET  59          1HG       MET  59 -14.331  25.420 -22.052
  443   2HG   MET  59          2HG       MET  59 -12.863  24.463 -21.852
  444   1HE   MET  59          1HE       MET  59 -12.966  22.296 -20.124
  445   2HE   MET  59          2HE       MET  59 -14.007  21.010 -20.782
  446   3HE   MET  59          3HE       MET  59 -12.879  21.873 -21.851
  447    H    LEU  60           H        LEU  60 -13.229  29.198 -19.713
  448    HA   LEU  60           HA       LEU  60 -11.712  29.561 -17.351
  449   1HB   LEU  60          1HB       LEU  60 -13.985  31.177 -18.519
  450   2HB   LEU  60          2HB       LEU  60 -13.002  31.717 -17.166
  451    HG   LEU  60           HG       LEU  60 -11.582  30.896 -19.704
  452   1HD1  LEU  60          1HD1      LEU  60 -13.386  32.392 -20.451
  453   2HD1  LEU  60          2HD1      LEU  60 -12.888  33.607 -19.252
  454   3HD1  LEU  60          3HD1      LEU  60 -11.801  33.161 -20.593
  455   1HD2  LEU  60          1HD2      LEU  60  -9.977  32.591 -19.004
  456   2HD2  LEU  60          2HD2      LEU  60 -11.032  33.102 -17.667
  457   3HD2  LEU  60          3HD2      LEU  60 -10.280  31.498 -17.641
  458    H    ILE  61           H        ILE  61 -12.019  29.036 -15.357
  459    HA   ILE  61           HA       ILE  61 -14.640  28.057 -14.319
  460    HB   ILE  61           HB       ILE  61 -11.829  27.912 -13.182
  461   1HG1  ILE  61          2HG1      ILE  61 -11.804  26.484 -15.065
  462   2HG1  ILE  61          3HG1      ILE  61 -11.984  25.455 -13.667
  463   1HG2  ILE  61          1HG2      ILE  61 -13.420  27.835 -11.353
  464   2HG2  ILE  61          2HG2      ILE  61 -14.363  26.573 -12.172
  465   3HG2  ILE  61          3HG2      ILE  61 -12.713  26.243 -11.588
  466   1HD1  ILE  61          1HD1      ILE  61 -14.484  25.334 -14.178
  467   2HD1  ILE  61          2HD1      ILE  61 -14.127  26.192 -15.697
  468   3HD1  ILE  61          3HD1      ILE  61 -13.417  24.602 -15.389
  469    H    THR  62           H        THR  62 -12.295  30.656 -13.990
  470    HA   THR  62           HA       THR  62 -14.024  31.975 -11.943
  471    HB   THR  62           HB       THR  62 -11.363  31.820 -11.909
  472    HG1  THR  62           HG1      THR  62 -11.489  33.280 -10.411
  473   1HG2  THR  62          1HG2      THR  62 -11.772  34.544 -13.194
  474   2HG2  THR  62          2HG2      THR  62 -10.270  33.840 -12.590
  475   3HG2  THR  62          3HG2      THR  62 -11.062  33.152 -14.035
  476    HA   PRO  63           HA       PRO  63 -16.008  34.589 -14.896
  477   1HB   PRO  63          1HB       PRO  63 -14.934  37.042 -13.498
  478   2HB   PRO  63          2HB       PRO  63 -16.618  36.679 -13.990
  479   1HG   PRO  63          1HG       PRO  63 -15.872  36.392 -11.410
  480   2HG   PRO  63          2HG       PRO  63 -16.874  35.118 -12.184
  481   1HD   PRO  63          1HD       PRO  63 -13.878  35.159 -11.761
  482   2HD   PRO  63          2HD       PRO  63 -15.039  33.838 -11.427
  483    H    ASN  64           H        ASN  64 -15.834  36.358 -16.465
  484    HA   ASN  64           HA       ASN  64 -13.847  36.489 -18.330
  485   1HB   ASN  64          1HB       ASN  64 -15.954  37.404 -18.768
  486   2HB   ASN  64          2HB       ASN  64 -15.925  38.438 -17.342
  487   1HD2  ASN  64          2HD2      ASN  64 -14.844  40.399 -17.371
  488   2HD2  ASN  64          1HD2      ASN  64 -14.469  41.198 -18.893
  489    HA   PRO  65           HA       PRO  65 -10.727  38.179 -15.575
  490   1HB   PRO  65          1HB       PRO  65  -8.460  37.595 -16.967
  491   2HB   PRO  65          2HB       PRO  65  -9.466  36.358 -16.158
  492   1HG   PRO  65          1HG       PRO  65  -9.522  37.163 -19.086
  493   2HG   PRO  65          2HG       PRO  65  -9.406  35.514 -18.389
  494   1HD   PRO  65          1HD       PRO  65 -11.781  36.590 -19.177
  495   2HD   PRO  65          2HD       PRO  65 -11.668  35.531 -17.738
  496    H    THR  66           H        THR  66  -9.897  40.170 -15.261
  497    HA   THR  66           HA       THR  66  -9.359  41.967 -17.563
  498    HB   THR  66           HB       THR  66 -10.337  43.857 -16.320
  499    HG1  THR  66           HG1      THR  66 -11.703  43.423 -14.575
  500   1HG2  THR  66          1HG2      THR  66 -12.722  43.318 -16.632
  501   2HG2  THR  66          2HG2      THR  66 -11.753  42.771 -18.003
  502   3HG2  THR  66          3HG2      THR  66 -12.330  41.598 -16.800
  503    H    MET  67           H        MET  67  -7.960  43.698 -17.139
  504    HA   MET  67           HA       MET  67  -6.262  43.433 -14.724
  505   1HB   MET  67          1HB       MET  67  -5.282  42.763 -17.166
  506   2HB   MET  67          2HB       MET  67  -4.930  44.493 -17.180
  507   1HG   MET  67          1HG       MET  67  -4.232  42.588 -14.901
  508   2HG   MET  67          2HG       MET  67  -3.132  42.943 -16.214
  509   1HE   MET  67          1HE       MET  67  -2.168  44.714 -12.595
  510   2HE   MET  67          2HE       MET  67  -3.596  43.660 -12.603
  511   3HE   MET  67          3HE       MET  67  -2.110  43.139 -13.426
  512    H    GLU  68           H        GLU  68  -5.638  45.332 -13.763
  513    HA   GLU  68           HA       GLU  68  -7.349  47.674 -14.356
  514   1HB   GLU  68          1HB       GLU  68  -7.545  45.878 -11.897
  515   2HB   GLU  68          2HB       GLU  68  -8.410  47.387 -12.130
  516   1HG   GLU  68          1HG       GLU  68  -9.678  46.391 -14.000
  517   2HG   GLU  68          2HG       GLU  68  -8.826  44.852 -13.769
  518    H    ASN  69           H        ASN  69  -7.195  49.100 -12.243
  519    HA   ASN  69           HA       ASN  69  -4.397  49.299 -11.234
  520   1HB   ASN  69          1HB       ASN  69  -5.197  51.594 -10.536
  521   2HB   ASN  69          2HB       ASN  69  -5.122  51.314 -12.274
  522   1HD2  ASN  69          2HD2      ASN  69  -6.553  53.385 -12.059
  523   2HD2  ASN  69          1HD2      ASN  69  -8.276  53.018 -11.997
  524    H    ASN  70           H        ASN  70  -7.767  48.997 -10.295
  525    HA   ASN  70           HA       ASN  70  -7.253  48.857  -7.426
  526   1HB   ASN  70          1HB       ASN  70  -9.677  48.902  -7.262
  527   2HB   ASN  70          2HB       ASN  70  -9.132  50.152  -8.370
  528   1HD2  ASN  70          1HD2      ASN  70  -9.457  49.702 -10.847
  529   2HD2  ASN  70          2HD2      ASN  70 -10.656  48.421 -11.190
  530    H    GLY  71           H        GLY  71  -5.997  46.753  -8.919
  531   1HA   GLY  71          1HA       GLY  71  -5.825  44.461  -7.840
  532   2HA   GLY  71          2HA       GLY  71  -7.547  44.287  -8.202
  533    H    GLY  72           H        GLY  72  -7.312  42.559  -9.601
  534   1HA   GLY  72          1HA       GLY  72  -7.662  42.005 -11.845
  535   2HA   GLY  72          2HA       GLY  72  -6.698  43.383 -12.353
  536    H    GLY  73           H        GLY  73  -6.455  41.176 -13.706
  537   1HA   GLY  73          1HA       GLY  73  -4.484  40.262 -14.701
  538   2HA   GLY  73          2HA       GLY  73  -3.674  40.289 -13.156
  539    H    PHE  74           H        PHE  74  -6.494  38.918 -12.233
  540    HA   PHE  74           HA       PHE  74  -5.172  36.279 -12.313
  541   1HB   PHE  74          1HB       PHE  74  -5.639  37.325 -10.125
  542   2HB   PHE  74          2HB       PHE  74  -7.364  37.347 -10.501
  543    HD1  PHE  74           HD1      PHE  74  -4.437  34.982 -10.275
  544    HD2  PHE  74           HD2      PHE  74  -8.718  35.447 -10.009
  545    HE1  PHE  74           HE1      PHE  74  -4.670  32.581  -9.762
  546    HE2  PHE  74           HE2      PHE  74  -8.936  33.030  -9.464
  547    HZ   PHE  74           HZ       PHE  74  -6.925  31.599  -9.348
  548    H    ILE  75           H        ILE  75  -6.128  34.327 -12.555
  549    HA   ILE  75           HA       ILE  75  -8.600  34.084 -14.175
  550    HB   ILE  75           HB       ILE  75  -5.845  33.172 -15.007
  551   1HG1  ILE  75          2HG1      ILE  75  -7.247  35.719 -15.827
  552   2HG1  ILE  75          3HG1      ILE  75  -5.652  35.540 -15.077
  553   1HG2  ILE  75          1HG2      ILE  75  -8.398  33.328 -16.650
  554   2HG2  ILE  75          2HG2      ILE  75  -6.821  32.708 -17.197
  555   3HG2  ILE  75          3HG2      ILE  75  -7.696  31.840 -15.967
  556   1HD1  ILE  75          1HD1      ILE  75  -6.422  34.824 -17.867
  557   2HD1  ILE  75          2HD1      ILE  75  -5.337  36.127 -17.331
  558   3HD1  ILE  75          3HD1      ILE  75  -4.837  34.433 -17.145
  559    H    GLU  76           H        GLU  76  -9.475  32.010 -14.020
  560    HA   GLU  76           HA       GLU  76  -7.726  29.743 -13.450
  561   1HB   GLU  76          1HB       GLU  76  -8.985  30.243 -11.300
  562   2HB   GLU  76          2HB       GLU  76 -10.481  29.872 -12.167
  563   1HG   GLU  76          1HG       GLU  76  -9.691  27.598 -12.669
  564   2HG   GLU  76          2HG       GLU  76  -8.142  27.932 -11.935
  565    H    MET  77           H        MET  77  -8.065  28.168 -14.943
  566    HA   MET  77           HA       MET  77 -10.610  27.966 -16.440
  567   1HB   MET  77          1HB       MET  77  -9.283  27.778 -18.586
  568   2HB   MET  77          2HB       MET  77  -9.356  29.400 -17.906
  569   1HG   MET  77          1HG       MET  77  -7.117  29.284 -17.077
  570   2HG   MET  77          2HG       MET  77  -7.034  27.550 -17.333
  571   1HE   MET  77          1HE       MET  77  -6.521  31.087 -18.878
  572   2HE   MET  77          2HE       MET  77  -6.570  30.764 -20.624
  573   3HE   MET  77          3HE       MET  77  -8.061  30.655 -19.662
  574    H    GLN  78           H        GLN  78 -10.778  25.899 -17.653
  575    HA   GLN  78           HA       GLN  78  -8.832  23.827 -16.725
  576   1HB   GLN  78          1HB       GLN  78 -11.075  23.712 -15.615
  577   2HB   GLN  78          2HB       GLN  78 -11.789  23.317 -17.186
  578   1HG   GLN  78          1HG       GLN  78 -10.565  21.245 -17.308
  579   2HG   GLN  78          2HG       GLN  78  -9.446  21.742 -16.030
  580   1HE2  GLN  78          2HE2      GLN  78  -9.760  20.482 -14.207
  581   2HE2  GLN  78          1HE2      GLN  78 -11.387  20.084 -13.632
  582    H    LEU  79           H        LEU  79  -8.471  22.053 -18.099
  583    HA   LEU  79           HA       LEU  79  -8.446  22.706 -20.989
  584   1HB   LEU  79          1HB       LEU  79  -6.155  22.611 -18.972
  585   2HB   LEU  79          2HB       LEU  79  -5.890  22.382 -20.681
  586    HG   LEU  79           HG       LEU  79  -6.985  24.742 -20.982
  587   1HD1  LEU  79          1HD1      LEU  79  -5.982  26.024 -18.759
  588   2HD1  LEU  79          2HD1      LEU  79  -7.687  25.666 -19.008
  589   3HD1  LEU  79          3HD1      LEU  79  -6.683  24.597 -18.003
  590   1HD2  LEU  79          1HD2      LEU  79  -4.695  24.197 -21.472
  591   2HD2  LEU  79          2HD2      LEU  79  -4.720  25.714 -20.567
  592   3HD2  LEU  79          3HD2      LEU  79  -4.259  24.213 -19.743
  593    HA   PRO  80           HA       PRO  80  -8.011  18.230 -21.245
  594   1HB   PRO  80          1HB       PRO  80  -6.697  17.865 -23.604
  595   2HB   PRO  80          2HB       PRO  80  -8.385  18.451 -23.499
  596   1HG   PRO  80          1HG       PRO  80  -5.867  20.071 -23.902
  597   2HG   PRO  80          2HG       PRO  80  -7.433  20.221 -24.754
  598   1HD   PRO  80          1HD       PRO  80  -6.682  21.804 -22.626
  599   2HD   PRO  80          2HD       PRO  80  -8.389  21.413 -22.985
  600    HA   PRO  81           HA       PRO  81  -3.954  17.615 -19.237
  601   1HB   PRO  81          1HB       PRO  81  -4.768  14.752 -19.745
  602   2HB   PRO  81          2HB       PRO  81  -4.013  15.469 -18.284
  603   1HG   PRO  81          1HG       PRO  81  -6.672  14.995 -18.329
  604   2HG   PRO  81          2HG       PRO  81  -6.056  16.549 -17.670
  605   1HD   PRO  81          1HD       PRO  81  -7.228  15.995 -20.403
  606   2HD   PRO  81          2HD       PRO  81  -7.541  17.361 -19.285
  607    H    GLY  82           H        GLY  82  -1.875  17.209 -19.986
  608   1HA   GLY  82          1HA       GLY  82  -0.495  16.054 -21.850
  609   2HA   GLY  82          2HA       GLY  82  -1.692  16.752 -22.951
  610    H    ASP  83           H        ASP  83  -0.417  18.209 -24.053
  611    HA   ASP  83           HA       ASP  83   1.084  20.285 -22.512
  612   1HB   ASP  83          1HB       ASP  83   2.583  18.985 -23.817
  613   2HB   ASP  83          2HB       ASP  83   1.532  19.031 -25.228
  614    H    ASN  84           H        ASN  84   0.099  22.152 -22.385
  615    HA   ASN  84           HA       ASN  84  -1.412  23.183 -24.741
  616   1HB   ASN  84          1HB       ASN  84  -2.181  23.597 -21.824
  617   2HB   ASN  84          2HB       ASN  84  -2.997  24.255 -23.245
  618   1HD2  ASN  84          2HD2      ASN  84  -2.533  21.392 -21.273
  619   2HD2  ASN  84          1HD2      ASN  84  -3.858  20.484 -22.015
  620    H    ILE  85           H        ILE  85  -0.703  25.101 -25.412
  621    HA   ILE  85           HA       ILE  85   1.305  26.549 -23.749
  622    HB   ILE  85           HB       ILE  85   0.648  26.916 -26.693
  623   1HG1  ILE  85          2HG1      ILE  85   3.184  26.013 -26.700
  624   2HG1  ILE  85          3HG1      ILE  85   2.669  25.201 -25.228
  625   1HG2  ILE  85          1HG2      ILE  85   2.821  28.075 -24.892
  626   2HG2  ILE  85          2HG2      ILE  85   2.728  28.280 -26.656
  627   3HG2  ILE  85          3HG2      ILE  85   1.465  28.962 -25.631
  628   1HD1  ILE  85          1HD1      ILE  85   0.839  24.072 -26.551
  629   2HD1  ILE  85          2HD1      ILE  85   1.385  24.949 -27.994
  630   3HD1  ILE  85          3HD1      ILE  85   2.442  23.755 -27.213
  631    H    ILE  86           H        ILE  86   0.480  27.956 -22.406
  632    HA   ILE  86           HA       ILE  86  -2.230  29.051 -22.919
  633    HB   ILE  86           HB       ILE  86  -0.665  29.060 -20.335
  634   1HG1  ILE  86          2HG1      ILE  86  -2.620  27.053 -21.520
  635   2HG1  ILE  86          3HG1      ILE  86  -0.987  26.767 -20.936
  636   1HG2  ILE  86          1HG2      ILE  86  -2.438  30.797 -20.504
  637   2HG2  ILE  86          2HG2      ILE  86  -3.616  29.557 -20.983
  638   3HG2  ILE  86          3HG2      ILE  86  -2.892  29.541 -19.366
  639   1HD1  ILE  86          1HD1      ILE  86  -1.752  27.226 -18.618
  640   2HD1  ILE  86          2HD1      ILE  86  -3.427  27.346 -19.220
  641   3HD1  ILE  86          3HD1      ILE  86  -2.529  25.833 -19.373
  642    H    TYR  87           H        TYR  87  -2.597  31.070 -23.412
  643    HA   TYR  87           HA       TYR  87  -0.268  32.931 -23.602
  644   1HB   TYR  87          1HB       TYR  87  -2.796  32.564 -25.191
  645   2HB   TYR  87          2HB       TYR  87  -1.900  34.059 -25.258
  646    HD1  TYR  87           HD1      TYR  87   0.078  34.310 -26.466
  647    HD2  TYR  87           HD2      TYR  87  -1.725  30.422 -26.081
  648    HE1  TYR  87           HE1      TYR  87   1.417  33.507 -28.403
  649    HE2  TYR  87           HE2      TYR  87  -0.265  29.563 -27.894
  650    HH   TYR  87           HH       TYR  87   1.253  30.139 -29.537
  651    H    VAL  88           H        VAL  88  -0.396  34.912 -22.887
  652    HA   VAL  88           HA       VAL  88  -3.018  36.082 -22.182
  653    HB   VAL  88           HB       VAL  88  -0.504  36.461 -20.505
  654   1HG1  VAL  88          1HG1      VAL  88  -2.462  37.762 -19.177
  655   2HG1  VAL  88          2HG1      VAL  88  -1.482  38.527 -20.439
  656   3HG1  VAL  88          3HG1      VAL  88  -3.099  37.937 -20.817
  657   1HG2  VAL  88          1HG2      VAL  88  -3.183  35.479 -19.477
  658   2HG2  VAL  88          2HG2      VAL  88  -1.946  34.344 -20.031
  659   3HG2  VAL  88          3HG2      VAL  88  -1.613  35.448 -18.695
  660    H    GLY  89           H        GLY  89  -3.166  37.011 -24.165
  661   1HA   GLY  89          1HA       GLY  89  -2.683  38.648 -25.795
  662   2HA   GLY  89          2HA       GLY  89  -1.179  39.049 -24.937
  663    H    GLU  90           H        GLU  90   0.499  38.646 -26.223
  664    HA   GLU  90           HA       GLU  90   0.636  36.036 -27.677
  665   1HB   GLU  90          1HB       GLU  90   1.071  38.573 -28.696
  666   2HB   GLU  90          2HB       GLU  90   2.702  38.065 -28.276
  667   1HG   GLU  90          1HG       GLU  90   2.211  37.444 -30.576
  668   2HG   GLU  90          2HG       GLU  90   2.371  35.975 -29.608
  669    H    LEU  91           H        LEU  91   1.810  37.715 -24.948
  670    HA   LEU  91           HA       LEU  91   4.168  36.178 -24.329
  671   1HB   LEU  91          1HB       LEU  91   3.368  38.257 -23.096
  672   2HB   LEU  91          2HB       LEU  91   2.005  37.312 -22.513
  673    HG   LEU  91           HG       LEU  91   3.853  35.677 -21.559
  674   1HD1  LEU  91          1HD1      LEU  91   5.918  36.828 -20.905
  675   2HD1  LEU  91          2HD1      LEU  91   5.768  36.824 -22.670
  676   3HD1  LEU  91          3HD1      LEU  91   5.397  38.299 -21.751
  677   1HD2  LEU  91          1HD2      LEU  91   3.284  38.395 -20.344
  678   2HD2  LEU  91          2HD2      LEU  91   2.290  36.932 -20.170
  679   3HD2  LEU  91          3HD2      LEU  91   3.915  36.980 -19.470
  680    H    LYS  92           H        LYS  92   4.294  34.087 -23.637
  681    HA   LYS  92           HA       LYS  92   1.800  32.559 -23.169
  682   1HB   LYS  92          1HB       LYS  92   2.257  30.992 -24.849
  683   2HB   LYS  92          2HB       LYS  92   2.575  32.545 -25.604
  684   1HG   LYS  92          1HG       LYS  92   5.089  32.091 -24.853
  685   2HG   LYS  92          2HG       LYS  92   4.524  30.433 -24.669
  686   1HD   LYS  92          1HD       LYS  92   5.296  30.310 -26.787
  687   2HD   LYS  92          2HD       LYS  92   3.642  30.766 -27.171
  688   1HE   LYS  92          HE2       LYS  92   5.845  32.851 -26.802
  689   2HE   LYS  92          HE3       LYS  92   5.708  31.942 -28.305
  690   1HZ   LYS  92          HZ1       LYS  92   3.645  33.783 -27.206
  691   2HZ   LYS  92          HZ2       LYS  92   4.515  33.955 -28.556
  692   3HZ   LYS  92          HZ3       LYS  92   3.397  32.750 -28.480
  693    H    HIS  93           H        HIS  93   2.212  30.347 -22.370
  694    HA   HIS  93           HA       HIS  93   4.911  29.695 -21.402
  695   1HB   HIS  93          1HB       HIS  93   3.745  30.995 -19.548
  696   2HB   HIS  93          2HB       HIS  93   2.558  29.700 -19.476
  697    HD1  HIS  93           HD1      HIS  93   3.691  27.189 -18.617
  698    HD2  HIS  93           HD2      HIS  93   6.079  30.665 -18.401
  699    HE1  HIS  93           HE1      HIS  93   5.552  26.678 -17.019
  700    H    GLN  94           H        GLN  94   5.254  27.490 -21.493
  701    HA   GLN  94           HA       GLN  94   3.195  25.712 -22.561
  702   1HB   GLN  94          1HB       GLN  94   5.441  25.442 -23.312
  703   2HB   GLN  94          2HB       GLN  94   6.082  25.335 -21.667
  704   1HG   GLN  94          1HG       GLN  94   5.311  23.152 -21.351
  705   2HG   GLN  94          2HG       GLN  94   4.010  23.324 -22.533
  706   1HE2  GLN  94          2HE2      GLN  94   4.316  22.254 -24.437
  707   2HE2  GLN  94          1HE2      GLN  94   5.924  21.929 -25.118
  708    H    TRP  95           H        TRP  95   1.664  24.760 -21.326
  709    HA   TRP  95           HA       TRP  95   2.283  24.150 -18.470
  710   1HB   TRP  95          1HB       TRP  95   0.534  25.801 -18.649
  711   2HB   TRP  95          2HB       TRP  95  -0.344  24.795 -19.804
  712    HD1  TRP  95           HD1      TRP  95  -2.242  23.533 -18.797
  713    HE1  TRP  95           HE1      TRP  95  -2.807  22.395 -16.515
  714    HE3  TRP  95           HE3      TRP  95   1.996  24.709 -16.151
  715    HZ2  TRP  95           HZ2      TRP  95  -1.574  21.938 -14.047
  716    HZ3  TRP  95           HZ3      TRP  95   2.312  23.808 -13.871
  717    HH2  TRP  95           HH2      TRP  95   0.560  22.394 -12.815
  718    H    PHE  96           H        PHE  96   2.952  22.157 -18.394
  719    HA   PHE  96           HA       PHE  96   1.738  19.941 -19.846
  720   1HB   PHE  96          1HB       PHE  96   3.664  20.030 -17.501
  721   2HB   PHE  96          2HB       PHE  96   3.112  18.558 -18.298
  722    HD1  PHE  96           HD1      PHE  96   3.259  18.823 -21.079
  723    HD2  PHE  96           HD2      PHE  96   5.844  20.676 -18.157
  724    HE1  PHE  96           HE1      PHE  96   5.025  19.070 -22.794
  725    HE2  PHE  96           HE2      PHE  96   7.612  20.906 -19.885
  726    HZ   PHE  96           HZ       PHE  96   7.203  20.113 -22.202
  727    H    GLN  97           H        GLN  97  -0.295  19.681 -19.494
  728    HA   GLN  97           HA       GLN  97  -1.592  20.500 -17.028
  729   1HB   GLN  97          1HB       GLN  97  -2.241  21.069 -19.410
  730   2HB   GLN  97          2HB       GLN  97  -2.715  19.414 -19.651
  731   1HG   GLN  97          1HG       GLN  97  -4.207  21.651 -18.697
  732   2HG   GLN  97          2HG       GLN  97  -4.799  20.047 -19.092
  733   1HE2  GLN  97          2HE2      GLN  97  -6.061  19.186 -17.370
  734   2HE2  GLN  97          1HE2      GLN  97  -5.464  19.353 -15.701
  735    H    LYS  98           H        LYS  98  -2.425  19.250 -15.482
  736    HA   LYS  98           HA       LYS  98  -2.540  16.297 -15.871
  737   1HB   LYS  98          1HB       LYS  98  -1.732  15.868 -13.735
  738   2HB   LYS  98          2HB       LYS  98  -0.639  17.045 -14.420
  739   1HG   LYS  98          1HG       LYS  98  -0.875  18.326 -12.591
  740   2HG   LYS  98          2HG       LYS  98  -2.569  18.581 -12.974
  741   1HD   LYS  98          1HD       LYS  98  -3.035  16.322 -11.795
  742   2HD   LYS  98          2HD       LYS  98  -1.341  16.358 -11.281
  743   1HE   LYS  98          HE2       LYS  98  -2.639  17.194  -9.464
  744   2HE   LYS  98          HE3       LYS  98  -1.808  18.593 -10.175
  745   1HZ   LYS  98          HZ1       LYS  98  -3.844  19.148 -11.347
  746   2HZ   LYS  98          HZ2       LYS  98  -4.622  17.804 -10.785
  747   3HZ   LYS  98          HZ3       LYS  98  -4.167  19.082  -9.787
  748    H    GLY  99           H        GLY  99  -4.346  15.200 -15.204
  749   1HA   GLY  99          1HA       GLY  99  -6.493  15.707 -13.660
  750   2HA   GLY  99          2HA       GLY  99  -6.778  16.732 -15.082
  Start of MODEL   15
    1   1H    ILE   1           H1       ILE   1 -13.702  49.476 -12.701
    2   2H    ILE   1           H2       ILE   1 -12.759  48.219 -13.147
    3   3H    ILE   1           H3       ILE   1 -14.279  48.362 -13.791
    4    HA   ILE   1           HA       ILE   1 -13.559  47.805 -11.010
    5    HB   ILE   1           HB       ILE   1 -15.434  49.188 -10.884
    6   1HG1  ILE   1          2HG1      ILE   1 -17.102  47.744  -9.806
    7   2HG1  ILE   1          3HG1      ILE   1 -16.360  46.310 -10.507
    8   1HG2  ILE   1          1HG2      ILE   1 -16.410  49.128 -13.094
    9   2HG2  ILE   1          2HG2      ILE   1 -16.897  47.425 -12.886
   10   3HG2  ILE   1          3HG2      ILE   1 -17.630  48.699 -11.905
   11   1HD1  ILE   1          1HD1      ILE   1 -14.996  48.251  -8.578
   12   2HD1  ILE   1          2HD1      ILE   1 -15.704  46.685  -8.141
   13   3HD1  ILE   1          3HD1      ILE   1 -14.287  46.743  -9.201
   14    H    SER   2           H        SER   2 -12.657  45.945 -10.960
   15    HA   SER   2           HA       SER   2 -12.236  43.726 -11.185
   16   1HB   SER   2          1HB       SER   2 -14.227  43.938  -9.708
   17   2HB   SER   2          2HB       SER   2 -15.267  43.560 -11.092
   18    HG   SER   2           HG       SER   2 -14.611  41.761  -9.671
   19    H    LYS   3           H        LYS   3 -13.985  41.754 -12.276
   20    HA   LYS   3           HA       LYS   3 -12.843  41.226 -14.844
   21   1HB   LYS   3          1HB       LYS   3 -14.877  39.902 -13.034
   22   2HB   LYS   3          2HB       LYS   3 -14.505  39.214 -14.616
   23   1HG   LYS   3          1HG       LYS   3 -12.142  39.081 -14.117
   24   2HG   LYS   3          2HG       LYS   3 -12.343  39.924 -12.585
   25   1HD   LYS   3          1HD       LYS   3 -13.476  38.081 -11.580
   26   2HD   LYS   3          2HD       LYS   3 -13.636  37.229 -13.131
   27   1HE   LYS   3          HE2       LYS   3 -11.277  36.892 -13.338
   28   2HE   LYS   3          HE3       LYS   3 -10.926  38.035 -12.035
   29   1HZ   LYS   3          HZ1       LYS   3 -11.955  36.475 -10.481
   30   2HZ   LYS   3          HZ2       LYS   3 -12.212  35.374 -11.672
   31   3HZ   LYS   3          HZ3       LYS   3 -10.688  35.786 -11.274
   32    H    GLY   4           H        GLY   4 -14.366  43.653 -14.944
   33   1HA   GLY   4          1HA       GLY   4 -16.753  44.040 -16.040
   34   2HA   GLY   4          2HA       GLY   4 -15.324  44.837 -16.662
   35    H    LEU   5           H        LEU   5 -17.759  42.520 -17.254
   36    HA   LEU   5           HA       LEU   5 -16.952  41.039 -19.423
   37   1HB   LEU   5          1HB       LEU   5 -19.169  41.120 -17.963
   38   2HB   LEU   5          2HB       LEU   5 -19.744  42.175 -19.243
   39    HG   LEU   5           HG       LEU   5 -18.937  40.177 -20.834
   40   1HD1  LEU   5          1HD1      LEU   5 -19.140  37.978 -19.779
   41   2HD1  LEU   5          2HD1      LEU   5 -17.859  38.898 -18.970
   42   3HD1  LEU   5          3HD1      LEU   5 -19.450  38.726 -18.200
   43   1HD2  LEU   5          1HD2      LEU   5 -21.168  39.126 -20.608
   44   2HD2  LEU   5          2HD2      LEU   5 -21.433  40.025 -19.097
   45   3HD2  LEU   5          3HD2      LEU   5 -21.263  40.892 -20.640
   46    H    THR   6           H        THR   6 -17.568  44.449 -19.496
   47    HA   THR   6           HA       THR   6 -18.096  44.593 -22.396
   48    HB   THR   6           HB       THR   6 -18.546  46.990 -21.834
   49    HG1  THR   6           HG1      THR   6 -18.668  47.460 -19.599
   50   1HG2  THR   6          1HG2      THR   6 -20.384  45.293 -21.747
   51   2HG2  THR   6          2HG2      THR   6 -20.050  45.046 -20.019
   52   3HG2  THR   6          3HG2      THR   6 -20.617  46.624 -20.600
   53    H    TYR   7           H        TYR   7 -15.288  44.837 -20.359
   54    HA   TYR   7           HA       TYR   7 -14.211  47.194 -21.576
   55   1HB   TYR   7          1HB       TYR   7 -12.835  45.028 -19.957
   56   2HB   TYR   7          2HB       TYR   7 -12.146  46.599 -20.339
   57    HD1  TYR   7           HD1      TYR   7 -15.182  47.926 -19.846
   58    HD2  TYR   7           HD2      TYR   7 -12.327  45.592 -17.581
   59    HE1  TYR   7           HE1      TYR   7 -16.073  48.856 -17.784
   60    HE2  TYR   7           HE2      TYR   7 -13.234  46.557 -15.474
   61    HH   TYR   7           HH       TYR   7 -16.055  48.764 -15.550
   62    H    THR   8           H        THR   8 -12.464  47.594 -22.834
   63    HA   THR   8           HA       THR   8 -12.131  46.140 -25.222
   64    HB   THR   8           HB       THR   8 -10.349  48.269 -23.952
   65    HG1  THR   8           HG1      THR   8 -11.716  49.609 -25.325
   66   1HG2  THR   8          1HG2      THR   8  -9.255  47.357 -25.950
   67   2HG2  THR   8          2HG2      THR   8 -10.765  47.522 -26.882
   68   3HG2  THR   8          3HG2      THR   8  -9.895  48.959 -26.300
   69    H    MET   9           H        MET   9 -10.349  44.961 -26.037
   70    HA   MET   9           HA       MET   9  -8.970  43.178 -24.289
   71   1HB   MET   9          1HB       MET   9  -8.332  43.981 -27.161
   72   2HB   MET   9          2HB       MET   9  -7.672  42.577 -26.317
   73   1HG   MET   9          1HG       MET   9 -10.612  43.033 -26.957
   74   2HG   MET   9          2HG       MET   9  -9.520  41.979 -27.842
   75   1HE   MET   9          1HE       MET   9 -11.534  40.224 -27.571
   76   2HE   MET   9          2HE       MET   9 -12.125  39.631 -26.002
   77   3HE   MET   9          3HE       MET   9 -12.433  41.314 -26.488
   78    H    CYS  10           H        CYS  10  -7.021  43.261 -23.302
   79    HA   CYS  10           HA       CYS  10  -5.379  45.633 -23.230
   80   1HB   CYS  10          1HB       CYS  10  -4.592  42.785 -22.622
   81   2HB   CYS  10          2HB       CYS  10  -3.808  44.208 -22.019
   82    H    ASP  11           H        ASP  11  -3.205  45.885 -24.046
   83    HA   ASP  11           HA       ASP  11  -2.629  45.098 -26.730
   84   1HB   ASP  11          1HB       ASP  11  -1.851  47.175 -25.726
   85   2HB   ASP  11          2HB       ASP  11  -0.913  46.298 -24.525
   86    H    LYS  12           H        LYS  12  -1.878  43.246 -27.468
   87    HA   LYS  12           HA       LYS  12  -1.302  40.967 -25.948
   88   1HB   LYS  12          1HB       LYS  12  -0.498  41.654 -28.807
   89   2HB   LYS  12          2HB       LYS  12  -0.287  40.069 -28.084
   90   1HG   LYS  12          1HG       LYS  12  -2.829  40.038 -27.662
   91   2HG   LYS  12          2HG       LYS  12  -2.910  41.490 -28.661
   92   1HD   LYS  12          1HD       LYS  12  -3.383  39.644 -30.118
   93   2HD   LYS  12          2HD       LYS  12  -1.745  40.192 -30.505
   94   1HE   LYS  12          HE2       LYS  12  -0.955  38.359 -28.839
   95   2HE   LYS  12          HE3       LYS  12  -2.592  37.726 -28.909
   96   1HZ   LYS  12          HZ1       LYS  12  -2.291  37.274 -31.225
   97   2HZ   LYS  12          HZ2       LYS  12  -0.880  38.126 -31.294
   98   3HZ   LYS  12          HZ3       LYS  12  -0.921  36.717 -30.473
   99    H    ALA  13           H        ALA  13   0.913  43.568 -26.569
  100    HA   ALA  13           HA       ALA  13   3.298  41.840 -26.134
  101   1HB   ALA  13          1HB       ALA  13   3.121  43.188 -28.205
  102   2HB   ALA  13          2HB       ALA  13   3.004  44.667 -27.227
  103   3HB   ALA  13          3HB       ALA  13   4.491  43.698 -27.201
  104    H    LYS  14           H        LYS  14   1.395  43.830 -24.170
  105    HA   LYS  14           HA       LYS  14   3.730  45.033 -22.720
  106   1HB   LYS  14          1HB       LYS  14   0.786  45.673 -22.648
  107   2HB   LYS  14          2HB       LYS  14   1.989  46.546 -21.727
  108   1HG   LYS  14          1HG       LYS  14   1.951  46.368 -24.751
  109   2HG   LYS  14          2HG       LYS  14   1.169  47.648 -23.811
  110   1HD   LYS  14          1HD       LYS  14   3.474  48.145 -22.819
  111   2HD   LYS  14          2HD       LYS  14   4.143  47.071 -24.060
  112   1HE   LYS  14          HE2       LYS  14   2.478  49.596 -24.486
  113   2HE   LYS  14          HE3       LYS  14   4.210  49.425 -24.793
  114   1HZ   LYS  14          HZ1       LYS  14   2.956  49.231 -26.846
  115   2HZ   LYS  14          HZ2       LYS  14   3.608  47.751 -26.513
  116   3HZ   LYS  14          HZ3       LYS  14   2.009  48.036 -26.263
  117    H    PHE  15           H        PHE  15   2.526  42.176 -22.317
  118    HA   PHE  15           HA       PHE  15   1.723  42.345 -19.464
  119   1HB   PHE  15          1HB       PHE  15   1.621  40.177 -21.577
  120   2HB   PHE  15          2HB       PHE  15   1.372  39.817 -19.880
  121    HD1  PHE  15           HD1      PHE  15  -0.393  41.029 -18.554
  122    HD2  PHE  15           HD2      PHE  15  -0.231  41.072 -22.867
  123    HE1  PHE  15           HE1      PHE  15  -2.839  41.437 -18.640
  124    HE2  PHE  15           HE2      PHE  15  -2.657  41.503 -22.953
  125    HZ   PHE  15           HZ       PHE  15  -3.975  41.617 -20.812
  126    H    THR  16           H        THR  16   2.534  41.052 -17.849
  127    HA   THR  16           HA       THR  16   4.933  39.387 -18.307
  128    HB   THR  16           HB       THR  16   5.852  40.151 -16.073
  129    HG1  THR  16           HG1      THR  16   4.044  42.259 -16.577
  130   1HG2  THR  16          1HG2      THR  16   7.004  42.116 -16.930
  131   2HG2  THR  16          2HG2      THR  16   6.884  40.891 -18.208
  132   3HG2  THR  16          3HG2      THR  16   5.811  42.307 -18.229
  133    H    TRP  17           H        TRP  17   5.018  37.577 -16.952
  134    HA   TRP  17           HA       TRP  17   2.532  36.654 -15.779
  135   1HB   TRP  17          1HB       TRP  17   5.325  35.488 -15.915
  136   2HB   TRP  17          2HB       TRP  17   3.986  34.703 -15.099
  137    HD1  TRP  17           HD1      TRP  17   5.688  34.505 -18.242
  138    HE1  TRP  17           HE1      TRP  17   4.282  33.325 -20.052
  139    HE3  TRP  17           HE3      TRP  17   1.090  34.728 -15.977
  140    HZ2  TRP  17           HZ2      TRP  17   1.507  32.669 -20.495
  141    HZ3  TRP  17           HZ3      TRP  17  -0.909  33.844 -17.136
  142    HH2  TRP  17           HH2      TRP  17  -0.716  32.804 -19.376
  143    H    LYS  18           H        LYS  18   1.830  37.463 -13.940
  144    HA   LYS  18           HA       LYS  18   3.526  38.264 -11.661
  145   1HB   LYS  18          1HB       LYS  18   1.062  39.092 -12.464
  146   2HB   LYS  18          2HB       LYS  18   0.566  37.771 -11.419
  147   1HG   LYS  18          1HG       LYS  18   2.171  38.963  -9.680
  148   2HG   LYS  18          2HG       LYS  18   1.990  40.352 -10.754
  149   1HD   LYS  18          1HD       LYS  18  -0.193  38.838  -9.281
  150   2HD   LYS  18          2HD       LYS  18   0.398  40.445  -8.890
  151   1HE   LYS  18          HE2       LYS  18  -0.579  41.366 -10.962
  152   2HE   LYS  18          HE3       LYS  18  -1.065  39.751 -11.472
  153   1HZ   LYS  18          HZ1       LYS  18  -2.445  39.617  -9.434
  154   2HZ   LYS  18          HZ2       LYS  18  -2.106  41.178  -9.097
  155   3HZ   LYS  18          HZ3       LYS  18  -2.975  40.818 -10.447
  156    H    ARG  19           H        ARG  19   1.568  35.591 -12.763
  157    HA   ARG  19           HA       ARG  19   3.009  33.615 -11.104
  158   1HB   ARG  19          1HB       ARG  19   0.900  34.359  -9.851
  159   2HB   ARG  19          2HB       ARG  19  -0.023  33.726 -11.216
  160   1HG   ARG  19          1HG       ARG  19   1.199  31.471 -10.720
  161   2HG   ARG  19          2HG       ARG  19   1.546  32.211  -9.147
  162   1HD   ARG  19          1HD       ARG  19  -1.166  31.675 -10.433
  163   2HD   ARG  19          2HD       ARG  19  -0.503  30.918  -8.992
  164    HE   ARG  19           HE       ARG  19  -1.265  33.852  -9.134
  165   1HH1  ARG  19          1HH1      ARG  19  -1.351  30.895  -7.244
  166   2HH1  ARG  19          2HH1      ARG  19  -2.225  31.676  -5.952
  167   1HH2  ARG  19          1HH2      ARG  19  -2.305  34.765  -7.579
  168   2HH2  ARG  19          2HH2      ARG  19  -2.783  33.881  -6.131
  169    H    ALA  20           H        ALA  20   3.794  32.326 -12.785
  170    HA   ALA  20           HA       ALA  20   2.538  32.140 -15.346
  171   1HB   ALA  20          1HB       ALA  20   4.164  30.322 -15.745
  172   2HB   ALA  20          2HB       ALA  20   4.935  31.733 -15.001
  173   3HB   ALA  20          3HB       ALA  20   4.565  30.293 -14.018
  174    HA   PRO  21           HA       PRO  21  -0.734  29.235 -14.809
  175   1HB   PRO  21          1HB       PRO  21   0.391  27.698 -17.138
  176   2HB   PRO  21          2HB       PRO  21  -1.293  28.223 -16.814
  177   1HG   PRO  21          1HG       PRO  21   0.302  29.606 -18.542
  178   2HG   PRO  21          2HG       PRO  21  -0.805  30.459 -17.428
  179   1HD   PRO  21          1HD       PRO  21   2.172  30.064 -17.184
  180   2HD   PRO  21          2HD       PRO  21   1.163  31.474 -16.771
  181    H    THR  22           H        THR  22  -0.975  27.859 -13.262
  182    HA   THR  22           HA       THR  22   0.600  25.340 -13.146
  183    HB   THR  22           HB       THR  22   1.727  26.796 -11.592
  184    HG1  THR  22           HG1      THR  22   0.000  25.239  -9.981
  185   1HG2  THR  22          1HG2      THR  22  -0.924  27.238 -10.161
  186   2HG2  THR  22          2HG2      THR  22   0.675  27.806  -9.642
  187   3HG2  THR  22          3HG2      THR  22  -0.058  28.473 -11.108
  188    H    ASP  23           H        ASP  23  -0.441  23.686 -11.866
  189    HA   ASP  23           HA       ASP  23  -3.318  23.524 -11.897
  190   1HB   ASP  23          1HB       ASP  23  -1.577  21.621 -11.743
  191   2HB   ASP  23          2HB       ASP  23  -1.446  22.015 -10.037
  192    H    SER  24           H        SER  24  -4.753  24.005 -10.298
  193    HA   SER  24           HA       SER  24  -4.078  25.962  -8.225
  194   1HB   SER  24          1HB       SER  24  -6.486  26.040  -7.925
  195   2HB   SER  24          2HB       SER  24  -6.145  25.968  -9.667
  196    HG   SER  24           HG       SER  24  -7.549  24.386  -9.563
  197    H    GLY  25           H        GLY  25  -4.122  22.536  -8.316
  198   1HA   GLY  25          1HA       GLY  25  -3.709  21.102  -6.398
  199   2HA   GLY  25          2HA       GLY  25  -4.598  22.232  -5.371
  200    H    HIS  26           H        HIS  26  -6.261  22.151  -8.241
  201    HA   HIS  26           HA       HIS  26  -8.091  19.944  -7.388
  202   1HB   HIS  26          1HB       HIS  26  -9.057  22.571  -8.526
  203   2HB   HIS  26          2HB       HIS  26  -9.970  21.348  -7.660
  204    HD1  HIS  26           HD1      HIS  26  -7.509  24.178  -7.083
  205    HD2  HIS  26           HD2      HIS  26 -10.033  21.585  -4.953
  206    HE1  HIS  26           HE1      HIS  26  -7.603  25.071  -4.651
  207    H    ASP  27           H        ASP  27  -6.000  20.498  -9.785
  208    HA   ASP  27           HA       ASP  27  -5.771  19.826 -11.916
  209   1HB   ASP  27          1HB       ASP  27  -8.481  18.460 -11.698
  210   2HB   ASP  27          2HB       ASP  27  -7.304  18.257 -12.980
  211    H    THR  28           H        THR  28  -7.765  22.128 -10.978
  212    HA   THR  28           HA       THR  28  -8.311  23.246 -13.670
  213    HB   THR  28           HB       THR  28  -9.158  25.195 -12.510
  214    HG1  THR  28           HG1      THR  28  -9.126  25.507 -10.386
  215   1HG2  THR  28          1HG2      THR  28 -10.747  23.297 -12.800
  216   2HG2  THR  28          2HG2      THR  28 -10.317  22.710 -11.177
  217   3HG2  THR  28          3HG2      THR  28 -11.108  24.285 -11.368
  218    H    VAL  29           H        VAL  29  -7.347  25.358 -14.110
  219    HA   VAL  29           HA       VAL  29  -4.475  25.394 -13.360
  220    HB   VAL  29           HB       VAL  29  -5.699  26.171 -16.031
  221   1HG1  VAL  29          1HG1      VAL  29  -2.836  25.578 -15.154
  222   2HG1  VAL  29          2HG1      VAL  29  -3.359  25.954 -16.804
  223   3HG1  VAL  29          3HG1      VAL  29  -3.493  27.184 -15.542
  224   1HG2  VAL  29          1HG2      VAL  29  -4.482  23.540 -15.143
  225   2HG2  VAL  29          2HG2      VAL  29  -6.125  23.800 -15.756
  226   3HG2  VAL  29          3HG2      VAL  29  -4.758  24.002 -16.847
  227    H    VAL  30           H        VAL  30  -3.875  27.143 -12.346
  228    HA   VAL  30           HA       VAL  30  -5.422  29.682 -12.668
  229    HB   VAL  30           HB       VAL  30  -4.498  30.358 -10.466
  230   1HG1  VAL  30          1HG1      VAL  30  -6.299  27.917 -10.534
  231   2HG1  VAL  30          2HG1      VAL  30  -6.107  28.999  -9.139
  232   3HG1  VAL  30          3HG1      VAL  30  -6.782  29.616 -10.657
  233   1HG2  VAL  30          1HG2      VAL  30  -3.707  27.431 -10.163
  234   2HG2  VAL  30          2HG2      VAL  30  -2.606  28.821 -10.245
  235   3HG2  VAL  30          3HG2      VAL  30  -3.714  28.655  -8.879
  236    H    MET  31           H        MET  31  -4.381  31.557 -13.006
  237    HA   MET  31           HA       MET  31  -1.465  31.725 -13.015
  238   1HB   MET  31          1HB       MET  31  -1.155  32.290 -15.329
  239   2HB   MET  31          2HB       MET  31  -2.036  30.771 -15.280
  240   1HG   MET  31          1HG       MET  31  -4.135  32.369 -15.334
  241   2HG   MET  31          2HG       MET  31  -3.008  33.486 -16.098
  242   1HE   MET  31          1HE       MET  31  -4.574  29.431 -17.655
  243   2HE   MET  31          2HE       MET  31  -3.648  29.574 -16.158
  244   3HE   MET  31          3HE       MET  31  -5.238  30.354 -16.289
  245    H    GLU  32           H        GLU  32  -0.759  33.977 -13.544
  246    HA   GLU  32           HA       GLU  32  -2.848  36.005 -13.201
  247   1HB   GLU  32          1HB       GLU  32  -2.106  34.921 -10.958
  248   2HB   GLU  32          2HB       GLU  32  -0.626  35.869 -11.153
  249   1HG   GLU  32          1HG       GLU  32  -1.921  37.928 -11.199
  250   2HG   GLU  32          2HG       GLU  32  -3.424  37.029 -11.149
  251    H    VAL  33           H        VAL  33  -2.245  38.049 -13.907
  252    HA   VAL  33           HA       VAL  33   0.587  38.427 -14.802
  253    HB   VAL  33           HB       VAL  33  -0.298  39.515 -16.860
  254   1HG1  VAL  33          1HG1      VAL  33  -0.381  37.474 -18.061
  255   2HG1  VAL  33          2HG1      VAL  33   0.686  37.220 -16.709
  256   3HG1  VAL  33          3HG1      VAL  33  -0.962  36.567 -16.640
  257   1HG2  VAL  33          1HG2      VAL  33  -2.662  39.827 -16.092
  258   2HG2  VAL  33          2HG2      VAL  33  -2.531  39.023 -17.659
  259   3HG2  VAL  33          3HG2      VAL  33  -2.899  38.068 -16.217
  260    H    ALA  34           H        ALA  34   1.286  40.462 -15.336
  261    HA   ALA  34           HA       ALA  34  -0.239  42.781 -14.269
  262   1HB   ALA  34          1HB       ALA  34   1.618  42.315 -12.719
  263   2HB   ALA  34          2HB       ALA  34   2.768  42.297 -14.070
  264   3HB   ALA  34          3HB       ALA  34   1.937  43.804 -13.632
  265    H    PHE  35           H        PHE  35   0.126  44.725 -15.506
  266    HA   PHE  35           HA       PHE  35   0.846  44.210 -18.358
  267   1HB   PHE  35          1HB       PHE  35  -1.445  43.506 -17.971
  268   2HB   PHE  35          2HB       PHE  35  -1.815  45.022 -17.159
  269    HD1  PHE  35           HD1      PHE  35  -0.444  43.872 -20.492
  270    HD2  PHE  35           HD2      PHE  35  -3.080  46.535 -18.368
  271    HE1  PHE  35           HE1      PHE  35  -1.177  44.885 -22.622
  272    HE2  PHE  35           HE2      PHE  35  -3.716  47.604 -20.507
  273    HZ   PHE  35           HZ       PHE  35  -2.713  46.858 -22.618
  274    H    SER  36           H        SER  36   2.151  45.778 -19.014
  275    HA   SER  36           HA       SER  36   2.396  48.347 -17.735
  276   1HB   SER  36          1HB       SER  36   3.591  47.264 -20.312
  277   2HB   SER  36          2HB       SER  36   4.138  48.712 -19.453
  278    HG   SER  36           HG       SER  36   4.703  47.400 -17.699
  279    H    GLY  37           H        GLY  37  -0.068  47.524 -19.773
  280   1HA   GLY  37          1HA       GLY  37  -0.077  50.079 -21.316
  281   2HA   GLY  37          2HA       GLY  37  -1.063  48.663 -21.643
  282    H    THR  38           H        THR  38  -2.984  49.784 -21.684
  283    HA   THR  38           HA       THR  38  -4.020  51.773 -20.049
  284    HB   THR  38           HB       THR  38  -6.268  50.692 -20.872
  285    HG1  THR  38           HG1      THR  38  -5.941  49.266 -22.591
  286   1HG2  THR  38          1HG2      THR  38  -5.245  52.643 -21.967
  287   2HG2  THR  38          2HG2      THR  38  -4.179  51.573 -22.906
  288   3HG2  THR  38          3HG2      THR  38  -5.937  51.527 -23.153
  289    H    LYS  39           H        LYS  39  -5.854  51.755 -18.636
  290    HA   LYS  39           HA       LYS  39  -6.551  49.305 -17.204
  291   1HB   LYS  39          1HB       LYS  39  -5.778  51.843 -15.712
  292   2HB   LYS  39          2HB       LYS  39  -6.478  50.390 -15.000
  293   1HG   LYS  39          1HG       LYS  39  -3.756  50.576 -16.319
  294   2HG   LYS  39          2HG       LYS  39  -4.046  50.647 -14.592
  295   1HD   LYS  39          1HD       LYS  39  -4.780  48.385 -14.450
  296   2HD   LYS  39          2HD       LYS  39  -4.929  48.209 -16.193
  297   1HE   LYS  39          HE2       LYS  39  -2.325  48.566 -14.653
  298   2HE   LYS  39          HE3       LYS  39  -2.933  47.075 -15.385
  299   1HZ   LYS  39          HZ1       LYS  39  -2.929  48.411 -17.547
  300   2HZ   LYS  39          HZ2       LYS  39  -2.006  49.500 -16.826
  301   3HZ   LYS  39          HZ3       LYS  39  -1.422  47.975 -16.940
  302    HA   PRO  40           HA       PRO  40  -8.327  48.398 -16.581
  303   1HB   PRO  40          1HB       PRO  40 -10.758  47.503 -17.232
  304   2HB   PRO  40          2HB       PRO  40 -10.539  48.570 -15.815
  305   1HG   PRO  40          1HG       PRO  40 -11.443  49.354 -18.610
  306   2HG   PRO  40          2HG       PRO  40 -12.194  49.794 -17.043
  307   1HD   PRO  40          1HD       PRO  40 -10.387  51.403 -18.399
  308   2HD   PRO  40          2HD       PRO  40 -10.567  51.426 -16.626
  309    H    CYS  41           H        CYS  41  -8.294  46.422 -17.909
  310    HA   CYS  41           HA       CYS  41  -9.416  46.579 -20.595
  311   1HB   CYS  41          1HB       CYS  41  -7.446  45.835 -21.796
  312   2HB   CYS  41          2HB       CYS  41  -7.117  47.359 -20.984
  313    H    ARG  42           H        ARG  42  -9.704  44.527 -21.543
  314    HA   ARG  42           HA       ARG  42 -10.091  42.240 -19.690
  315   1HB   ARG  42          1HB       ARG  42 -11.809  43.035 -21.376
  316   2HB   ARG  42          2HB       ARG  42 -10.690  42.551 -22.659
  317   1HG   ARG  42          1HG       ARG  42 -10.738  40.185 -21.513
  318   2HG   ARG  42          2HG       ARG  42 -12.136  40.807 -20.628
  319   1HD   ARG  42          1HD       ARG  42 -11.779  40.444 -23.619
  320   2HD   ARG  42          2HD       ARG  42 -12.945  39.632 -22.591
  321    HE   ARG  42           HE       ARG  42 -13.004  42.556 -23.352
  322   1HH1  ARG  42          1HH1      ARG  42 -14.880  39.931 -21.900
  323   2HH1  ARG  42          2HH1      ARG  42 -16.359  40.872 -22.173
  324   1HH2  ARG  42          1HH2      ARG  42 -14.809  43.611 -23.378
  325   2HH2  ARG  42          2HH2      ARG  42 -16.332  42.796 -22.914
  326    H    ILE  43           H        ILE  43  -8.742  40.538 -19.623
  327    HA   ILE  43           HA       ILE  43  -6.179  40.750 -20.949
  328    HB   ILE  43           HB       ILE  43  -7.299  38.524 -19.212
  329   1HG1  ILE  43          2HG1      ILE  43  -5.301  40.766 -18.613
  330   2HG1  ILE  43          3HG1      ILE  43  -6.989  40.877 -18.183
  331   1HG2  ILE  43          1HG2      ILE  43  -4.941  37.764 -19.076
  332   2HG2  ILE  43          2HG2      ILE  43  -5.414  37.796 -20.763
  333   3HG2  ILE  43          3HG2      ILE  43  -4.432  39.113 -20.100
  334   1HD1  ILE  43          1HD1      ILE  43  -5.367  40.219 -16.339
  335   2HD1  ILE  43          2HD1      ILE  43  -6.830  39.250 -16.479
  336   3HD1  ILE  43          3HD1      ILE  43  -5.285  38.623 -17.084
  337    HA   PRO  44           HA       PRO  44  -7.753  38.517 -24.603
  338   1HB   PRO  44          1HB       PRO  44  -5.593  38.777 -26.230
  339   2HB   PRO  44          2HB       PRO  44  -6.658  40.162 -25.838
  340   1HG   PRO  44          1HG       PRO  44  -4.042  39.420 -24.485
  341   2HG   PRO  44          2HG       PRO  44  -4.512  41.003 -25.159
  342   1HD   PRO  44          1HD       PRO  44  -4.777  40.369 -22.524
  343   2HD   PRO  44          2HD       PRO  44  -5.990  41.391 -23.360
  344    H    VAL  45           H        VAL  45  -7.813  36.725 -23.165
  345    HA   VAL  45           HA       VAL  45  -5.411  35.010 -23.068
  346    HB   VAL  45           HB       VAL  45  -7.057  36.039 -21.056
  347   1HG1  VAL  45          1HG1      VAL  45  -7.523  33.032 -21.118
  348   2HG1  VAL  45          2HG1      VAL  45  -7.928  34.151 -19.810
  349   3HG1  VAL  45          3HG1      VAL  45  -8.775  34.272 -21.361
  350   1HG2  VAL  45          1HG2      VAL  45  -4.659  35.378 -21.097
  351   2HG2  VAL  45          2HG2      VAL  45  -5.511  34.956 -19.636
  352   3HG2  VAL  45          3HG2      VAL  45  -5.158  33.691 -20.818
  353    H    ARG  46           H        ARG  46  -5.369  32.902 -23.334
  354    HA   ARG  46           HA       ARG  46  -7.602  31.269 -24.196
  355   1HB   ARG  46          1HB       ARG  46  -6.748  30.852 -26.496
  356   2HB   ARG  46          2HB       ARG  46  -7.272  32.520 -26.282
  357   1HG   ARG  46          1HG       ARG  46  -4.822  33.105 -25.833
  358   2HG   ARG  46          2HG       ARG  46  -4.432  31.458 -26.372
  359   1HD   ARG  46          1HD       ARG  46  -5.029  31.922 -28.594
  360   2HD   ARG  46          2HD       ARG  46  -5.967  33.356 -28.141
  361    HE   ARG  46           HE       ARG  46  -3.802  34.398 -27.406
  362   1HH1  ARG  46          1HH1      ARG  46  -3.582  32.050 -30.036
  363   2HH1  ARG  46          2HH1      ARG  46  -2.069  32.733 -30.576
  364   1HH2  ARG  46          1HH2      ARG  46  -1.898  35.151 -28.101
  365   2HH2  ARG  46          2HH2      ARG  46  -1.142  34.592 -29.544
  366    H    ALA  47           H        ALA  47  -6.852  29.069 -24.608
  367    HA   ALA  47           HA       ALA  47  -3.978  28.512 -24.033
  368   1HB   ALA  47          1HB       ALA  47  -5.213  27.931 -21.968
  369   2HB   ALA  47          2HB       ALA  47  -6.352  26.947 -22.922
  370   3HB   ALA  47          3HB       ALA  47  -4.650  26.474 -22.832
  371    H    VAL  48           H        VAL  48  -3.088  27.403 -25.698
  372    HA   VAL  48           HA       VAL  48  -5.038  26.152 -27.594
  373    HB   VAL  48           HB       VAL  48  -3.832  26.956 -29.434
  374   1HG1  VAL  48          1HG1      VAL  48  -4.293  29.361 -29.213
  375   2HG1  VAL  48          2HG1      VAL  48  -5.561  28.410 -28.432
  376   3HG1  VAL  48          3HG1      VAL  48  -4.322  29.230 -27.457
  377   1HG2  VAL  48          1HG2      VAL  48  -1.907  28.310 -27.511
  378   2HG2  VAL  48          2HG2      VAL  48  -1.521  27.003 -28.653
  379   3HG2  VAL  48          3HG2      VAL  48  -2.001  28.593 -29.256
  380    H    ALA  49           H        ALA  49  -4.895  24.124 -27.892
  381    HA   ALA  49           HA       ALA  49  -3.027  22.581 -26.406
  382   1HB   ALA  49          1HB       ALA  49  -4.989  21.758 -28.590
  383   2HB   ALA  49          2HB       ALA  49  -4.204  20.659 -27.433
  384   3HB   ALA  49          3HB       ALA  49  -5.338  21.887 -26.847
  385    H    HIS  50           H        HIS  50  -1.489  21.072 -27.045
  386    HA   HIS  50           HA       HIS  50   0.495  21.744 -28.798
  387   1HB   HIS  50          1HB       HIS  50   0.554  20.156 -26.919
  388   2HB   HIS  50          2HB       HIS  50  -0.266  18.943 -27.896
  389    HD1  HIS  50           HD1      HIS  50   3.113  20.342 -27.086
  390    HD2  HIS  50           HD2      HIS  50   1.250  17.992 -30.076
  391    HE1  HIS  50           HE1      HIS  50   4.983  19.171 -28.406
  392    H    GLY  51           H        GLY  51  -0.147  22.356 -30.819
  393   1HA   GLY  51          1HA       GLY  51   0.350  21.291 -33.074
  394   2HA   GLY  51          2HA       GLY  51  -0.997  20.216 -32.743
  395    H    ALA  52           H        ALA  52  -2.301  22.949 -31.492
  396    HA   ALA  52           HA       ALA  52  -3.085  24.122 -34.138
  397   1HB   ALA  52          1HB       ALA  52  -5.038  22.982 -32.119
  398   2HB   ALA  52          2HB       ALA  52  -5.435  23.839 -33.628
  399   3HB   ALA  52          3HB       ALA  52  -4.612  22.272 -33.694
  400    HA   PRO  53           HA       PRO  53  -2.326  27.565 -31.139
  401   1HB   PRO  53          1HB       PRO  53  -1.885  28.962 -33.757
  402   2HB   PRO  53          2HB       PRO  53  -0.944  29.080 -32.245
  403   1HG   PRO  53          1HG       PRO  53  -0.021  27.621 -34.370
  404   2HG   PRO  53          2HG       PRO  53   0.174  27.007 -32.698
  405   1HD   PRO  53          1HD       PRO  53  -1.934  26.265 -34.738
  406   2HD   PRO  53          2HD       PRO  53  -0.970  25.202 -33.672
  407    H    ASP  54           H        ASP  54  -4.389  27.182 -33.895
  408    HA   ASP  54           HA       ASP  54  -5.997  29.505 -33.771
  409   1HB   ASP  54          1HB       ASP  54  -6.842  26.793 -34.840
  410   2HB   ASP  54          2HB       ASP  54  -7.221  28.389 -35.480
  411    H    VAL  55           H        VAL  55  -6.108  26.540 -31.887
  412    HA   VAL  55           HA       VAL  55  -9.029  26.878 -31.345
  413    HB   VAL  55           HB       VAL  55  -7.312  24.396 -30.994
  414   1HG1  VAL  55          1HG1      VAL  55  -9.253  24.465 -29.431
  415   2HG1  VAL  55          2HG1      VAL  55 -10.336  24.823 -30.789
  416   3HG1  VAL  55          3HG1      VAL  55  -9.497  23.259 -30.693
  417   1HG2  VAL  55          1HG2      VAL  55  -9.371  25.132 -33.125
  418   2HG2  VAL  55          2HG2      VAL  55  -7.628  24.914 -33.381
  419   3HG2  VAL  55          3HG2      VAL  55  -8.625  23.530 -32.921
  420    H    ASP  56           H        ASP  56  -9.228  28.222 -29.660
  421    HA   ASP  56           HA       ASP  56  -7.703  27.955 -27.222
  422   1HB   ASP  56          1HB       ASP  56  -8.891  30.043 -27.873
  423   2HB   ASP  56          2HB       ASP  56 -10.434  29.226 -27.589
  424    H    VAL  57           H        VAL  57  -7.862  26.434 -25.795
  425    HA   VAL  57           HA       VAL  57 -10.340  24.794 -25.447
  426    HB   VAL  57           HB       VAL  57  -9.005  22.977 -24.654
  427   1HG1  VAL  57          1HG1      VAL  57  -7.785  23.974 -27.255
  428   2HG1  VAL  57          2HG1      VAL  57  -7.883  22.297 -26.687
  429   3HG1  VAL  57          3HG1      VAL  57  -9.365  23.177 -27.106
  430   1HG2  VAL  57          1HG2      VAL  57  -7.094  24.242 -23.617
  431   2HG2  VAL  57          2HG2      VAL  57  -6.610  22.895 -24.656
  432   3HG2  VAL  57          3HG2      VAL  57  -6.465  24.536 -25.256
  433    H    ALA  58           H        ALA  58  -9.026  27.447 -24.071
  434    HA   ALA  58           HA       ALA  58  -8.872  26.751 -21.281
  435   1HB   ALA  58          1HB       ALA  58  -9.306  29.413 -22.710
  436   2HB   ALA  58          2HB       ALA  58  -8.954  29.222 -20.992
  437   3HB   ALA  58          3HB       ALA  58  -7.748  28.728 -22.197
  438    H    MET  59           H        MET  59 -10.789  25.564 -20.670
  439    HA   MET  59           HA       MET  59 -13.359  27.000 -20.781
  440   1HB   MET  59          1HB       MET  59 -12.609  24.429 -19.341
  441   2HB   MET  59          2HB       MET  59 -14.223  25.147 -19.457
  442   1HG   MET  59          1HG       MET  59 -13.922  25.117 -21.999
  443   2HG   MET  59          2HG       MET  59 -12.526  24.078 -21.744
  444   1HE   MET  59          1HE       MET  59 -13.196  22.123 -19.529
  445   2HE   MET  59          2HE       MET  59 -14.122  20.809 -20.285
  446   3HE   MET  59          3HE       MET  59 -12.706  21.484 -21.119
  447    H    LEU  60           H        LEU  60 -12.830  28.934 -19.817
  448    HA   LEU  60           HA       LEU  60 -11.634  29.502 -17.368
  449   1HB   LEU  60          1HB       LEU  60 -13.918  30.875 -18.805
  450   2HB   LEU  60          2HB       LEU  60 -13.127  31.566 -17.401
  451    HG   LEU  60           HG       LEU  60 -11.533  30.806 -19.875
  452   1HD1  LEU  60          1HD1      LEU  60 -11.681  33.166 -20.556
  453   2HD1  LEU  60          2HD1      LEU  60 -13.280  32.412 -20.541
  454   3HD1  LEU  60          3HD1      LEU  60 -12.802  33.495 -19.212
  455   1HD2  LEU  60          1HD2      LEU  60 -10.266  31.235 -17.732
  456   2HD2  LEU  60          2HD2      LEU  60  -9.914  32.426 -18.993
  457   3HD2  LEU  60          3HD2      LEU  60 -11.003  32.838 -17.650
  458    H    ILE  61           H        ILE  61 -12.000  28.948 -15.373
  459    HA   ILE  61           HA       ILE  61 -14.650  27.981 -14.415
  460    HB   ILE  61           HB       ILE  61 -11.950  28.062 -13.034
  461   1HG1  ILE  61          2HG1      ILE  61 -11.728  26.554 -14.898
  462   2HG1  ILE  61          3HG1      ILE  61 -11.788  25.635 -13.417
  463   1HG2  ILE  61          1HG2      ILE  61 -12.932  26.360 -11.487
  464   2HG2  ILE  61          2HG2      ILE  61 -13.665  27.950 -11.356
  465   3HG2  ILE  61          3HG2      ILE  61 -14.522  26.661 -12.227
  466   1HD1  ILE  61          1HD1      ILE  61 -14.174  25.034 -13.896
  467   2HD1  ILE  61          2HD1      ILE  61 -14.076  25.959 -15.415
  468   3HD1  ILE  61          3HD1      ILE  61 -13.068  24.527 -15.180
  469    H    THR  62           H        THR  62 -12.549  30.760 -14.281
  470    HA   THR  62           HA       THR  62 -14.430  32.080 -12.372
  471    HB   THR  62           HB       THR  62 -11.935  31.871 -11.766
  472    HG1  THR  62           HG1      THR  62 -13.192  33.151 -10.613
  473   1HG2  THR  62          1HG2      THR  62 -11.679  34.297 -13.598
  474   2HG2  THR  62          2HG2      THR  62 -10.430  33.555 -12.575
  475   3HG2  THR  62          3HG2      THR  62 -11.067  32.690 -13.997
  476    HA   PRO  63           HA       PRO  63 -15.915  34.490 -15.697
  477   1HB   PRO  63          1HB       PRO  63 -15.734  36.982 -14.007
  478   2HB   PRO  63          2HB       PRO  63 -17.120  36.344 -14.935
  479   1HG   PRO  63          1HG       PRO  63 -17.011  36.019 -12.244
  480   2HG   PRO  63          2HG       PRO  63 -17.553  34.668 -13.292
  481   1HD   PRO  63          1HD       PRO  63 -14.821  35.116 -12.074
  482   2HD   PRO  63          2HD       PRO  63 -15.805  33.622 -12.129
  483    H    ASN  64           H        ASN  64 -15.591  36.113 -17.193
  484    HA   ASN  64           HA       ASN  64 -13.578  36.642 -18.709
  485   1HB   ASN  64          1HB       ASN  64 -15.749  37.530 -19.050
  486   2HB   ASN  64          2HB       ASN  64 -15.629  38.588 -17.641
  487   1HD2  ASN  64          2HD2      ASN  64 -14.677  40.555 -17.823
  488   2HD2  ASN  64          1HD2      ASN  64 -14.173  41.249 -19.365
  489    HA   PRO  65           HA       PRO  65 -10.648  38.275 -15.661
  490   1HB   PRO  65          1HB       PRO  65  -8.283  37.626 -16.866
  491   2HB   PRO  65          2HB       PRO  65  -9.349  36.449 -16.038
  492   1HG   PRO  65          1HG       PRO  65  -9.211  37.055 -19.012
  493   2HG   PRO  65          2HG       PRO  65  -9.149  35.454 -18.200
  494   1HD   PRO  65          1HD       PRO  65 -11.461  36.453 -19.211
  495   2HD   PRO  65          2HD       PRO  65 -11.452  35.526 -17.677
  496    H    THR  66           H        THR  66  -9.660  40.206 -15.336
  497    HA   THR  66           HA       THR  66  -9.034  41.971 -17.640
  498    HB   THR  66           HB       THR  66  -9.965  43.865 -16.288
  499    HG1  THR  66           HG1      THR  66 -11.433  43.261 -14.608
  500   1HG2  THR  66          1HG2      THR  66 -11.373  42.976 -18.070
  501   2HG2  THR  66          2HG2      THR  66 -11.993  41.703 -16.999
  502   3HG2  THR  66          3HG2      THR  66 -12.364  43.407 -16.677
  503    H    MET  67           H        MET  67  -7.628  43.663 -17.195
  504    HA   MET  67           HA       MET  67  -6.062  43.581 -14.658
  505   1HB   MET  67          1HB       MET  67  -5.098  43.725 -17.422
  506   2HB   MET  67          2HB       MET  67  -4.618  45.155 -16.517
  507   1HG   MET  67          1HG       MET  67  -4.236  42.446 -15.228
  508   2HG   MET  67          2HG       MET  67  -3.179  42.919 -16.536
  509   1HE   MET  67          1HE       MET  67  -4.213  43.549 -12.819
  510   2HE   MET  67          2HE       MET  67  -3.237  44.957 -12.357
  511   3HE   MET  67          3HE       MET  67  -4.619  45.174 -13.434
  512    H    GLU  68           H        GLU  68  -6.740  45.119 -13.351
  513    HA   GLU  68           HA       GLU  68  -8.702  47.063 -14.420
  514   1HB   GLU  68          1HB       GLU  68  -9.830  45.311 -13.395
  515   2HB   GLU  68          2HB       GLU  68  -8.561  44.988 -12.251
  516   1HG   GLU  68          1HG       GLU  68 -10.410  45.745 -11.035
  517   2HG   GLU  68          2HG       GLU  68  -9.158  46.971 -10.927
  518    H    ASN  69           H        ASN  69  -9.004  49.063 -13.250
  519    HA   ASN  69           HA       ASN  69  -6.626  50.448 -12.753
  520   1HB   ASN  69          1HB       ASN  69  -9.461  51.097 -11.837
  521   2HB   ASN  69          2HB       ASN  69  -8.128  52.255 -11.910
  522   1HD2  ASN  69          1HD2      ASN  69  -7.675  53.259 -13.921
  523   2HD2  ASN  69          2HD2      ASN  69  -8.418  52.708 -15.425
  524    H    ASN  70           H        ASN  70  -8.519  48.677 -10.422
  525    HA   ASN  70           HA       ASN  70  -6.546  49.321  -8.293
  526   1HB   ASN  70          1HB       ASN  70  -8.666  50.806  -8.320
  527   2HB   ASN  70          2HB       ASN  70  -9.549  49.382  -7.785
  528   1HD2  ASN  70          1HD2      ASN  70  -8.166  48.262  -5.819
  529   2HD2  ASN  70          2HD2      ASN  70  -7.791  49.475  -4.556
  530    H    GLY  71           H        GLY  71  -6.715  46.950  -9.973
  531   1HA   GLY  71          1HA       GLY  71  -6.510  44.850  -8.121
  532   2HA   GLY  71          2HA       GLY  71  -8.186  44.859  -8.688
  533    H    GLY  72           H        GLY  72  -7.427  42.649  -9.365
  534   1HA   GLY  72          1HA       GLY  72  -7.859  41.531 -11.368
  535   2HA   GLY  72          2HA       GLY  72  -7.214  42.876 -12.285
  536    H    GLY  73           H        GLY  73  -6.496  41.020 -13.502
  537   1HA   GLY  73          1HA       GLY  73  -4.472  40.203 -14.406
  538   2HA   GLY  73          2HA       GLY  73  -3.719  40.227 -12.830
  539    H    PHE  74           H        PHE  74  -6.423  38.747 -11.919
  540    HA   PHE  74           HA       PHE  74  -5.072  36.129 -12.108
  541   1HB   PHE  74          1HB       PHE  74  -5.502  37.085  -9.888
  542   2HB   PHE  74          2HB       PHE  74  -7.228  37.156 -10.233
  543    HD1  PHE  74           HD1      PHE  74  -4.341  34.783  -9.878
  544    HD2  PHE  74           HD2      PHE  74  -8.627  35.225  -9.926
  545    HE1  PHE  74           HE1      PHE  74  -4.597  32.405  -9.229
  546    HE2  PHE  74           HE2      PHE  74  -8.878  32.830  -9.292
  547    HZ   PHE  74           HZ       PHE  74  -6.871  31.427  -8.943
  548    H    ILE  75           H        ILE  75  -5.851  34.251 -12.704
  549    HA   ILE  75           HA       ILE  75  -8.533  34.069 -13.982
  550    HB   ILE  75           HB       ILE  75  -5.952  33.130 -15.230
  551   1HG1  ILE  75          2HG1      ILE  75  -7.235  35.834 -15.618
  552   2HG1  ILE  75          3HG1      ILE  75  -5.597  35.483 -15.073
  553   1HG2  ILE  75          1HG2      ILE  75  -7.970  32.004 -16.056
  554   2HG2  ILE  75          2HG2      ILE  75  -8.692  33.576 -16.462
  555   3HG2  ILE  75          3HG2      ILE  75  -7.252  32.969 -17.310
  556   1HD1  ILE  75          1HD1      ILE  75  -5.100  34.497 -17.311
  557   2HD1  ILE  75          2HD1      ILE  75  -6.695  35.115 -17.840
  558   3HD1  ILE  75          3HD1      ILE  75  -5.439  36.239 -17.303
  559    H    GLU  76           H        GLU  76  -9.376  32.004 -14.032
  560    HA   GLU  76           HA       GLU  76  -7.708  29.693 -13.391
  561   1HB   GLU  76          1HB       GLU  76  -8.952  30.279 -11.285
  562   2HB   GLU  76          2HB       GLU  76 -10.467  30.053 -12.178
  563   1HG   GLU  76          1HG       GLU  76  -9.771  27.688 -12.690
  564   2HG   GLU  76          2HG       GLU  76  -8.280  27.947 -11.810
  565    H    MET  77           H        MET  77  -8.046  28.112 -14.845
  566    HA   MET  77           HA       MET  77 -10.580  27.868 -16.355
  567   1HB   MET  77          1HB       MET  77  -9.258  27.571 -18.482
  568   2HB   MET  77          2HB       MET  77  -9.315  29.218 -17.871
  569   1HG   MET  77          1HG       MET  77  -7.063  29.051 -16.971
  570   2HG   MET  77          2HG       MET  77  -7.003  27.336 -17.346
  571   1HE   MET  77          1HE       MET  77  -8.027  30.628 -19.378
  572   2HE   MET  77          2HE       MET  77  -6.447  30.966 -18.635
  573   3HE   MET  77          3HE       MET  77  -6.580  30.788 -20.398
  574    H    GLN  78           H        GLN  78 -10.691  25.740 -17.530
  575    HA   GLN  78           HA       GLN  78  -8.666  23.770 -16.593
  576   1HB   GLN  78          1HB       GLN  78 -10.777  23.547 -15.296
  577   2HB   GLN  78          2HB       GLN  78 -11.631  23.137 -16.794
  578   1HG   GLN  78          1HG       GLN  78 -10.387  21.097 -17.037
  579   2HG   GLN  78          2HG       GLN  78  -9.142  21.629 -15.898
  580   1HE2  GLN  78          2HE2      GLN  78  -9.212  20.493 -13.989
  581   2HE2  GLN  78          1HE2      GLN  78 -10.745  19.981 -13.261
  582    H    LEU  79           H        LEU  79  -8.357  21.962 -17.971
  583    HA   LEU  79           HA       LEU  79  -8.634  22.587 -20.858
  584   1HB   LEU  79          1HB       LEU  79  -6.111  22.445 -19.117
  585   2HB   LEU  79          2HB       LEU  79  -6.071  22.281 -20.849
  586    HG   LEU  79           HG       LEU  79  -7.313  24.599 -20.896
  587   1HD1  LEU  79          1HD1      LEU  79  -7.565  25.704 -18.967
  588   2HD1  LEU  79          2HD1      LEU  79  -6.864  24.366 -18.042
  589   3HD1  LEU  79          3HD1      LEU  79  -5.824  25.643 -18.657
  590   1HD2  LEU  79          1HD2      LEU  79  -5.174  24.267 -21.829
  591   2HD2  LEU  79          2HD2      LEU  79  -5.038  25.681 -20.769
  592   3HD2  LEU  79          3HD2      LEU  79  -4.395  24.116 -20.232
  593    HA   PRO  80           HA       PRO  80  -8.287  18.124 -21.287
  594   1HB   PRO  80          1HB       PRO  80  -6.932  17.814 -23.642
  595   2HB   PRO  80          2HB       PRO  80  -8.629  18.377 -23.544
  596   1HG   PRO  80          1HG       PRO  80  -6.121  20.056 -23.817
  597   2HG   PRO  80          2HG       PRO  80  -7.635  20.178 -24.762
  598   1HD   PRO  80          1HD       PRO  80  -7.141  21.795 -22.636
  599   2HD   PRO  80          2HD       PRO  80  -8.786  21.196 -22.964
  600    HA   PRO  81           HA       PRO  81  -4.282  17.291 -19.252
  601   1HB   PRO  81          1HB       PRO  81  -5.132  14.521 -20.109
  602   2HB   PRO  81          2HB       PRO  81  -4.354  15.035 -18.577
  603   1HG   PRO  81          1HG       PRO  81  -7.022  14.657 -18.631
  604   2HG   PRO  81          2HG       PRO  81  -6.367  16.130 -17.846
  605   1HD   PRO  81          1HD       PRO  81  -7.554  15.860 -20.617
  606   2HD   PRO  81          2HD       PRO  81  -7.826  17.127 -19.380
  607    H    GLY  82           H        GLY  82  -2.298  17.432 -20.046
  608   1HA   GLY  82          1HA       GLY  82  -0.700  16.436 -21.849
  609   2HA   GLY  82          2HA       GLY  82  -1.934  16.999 -22.983
  610    H    ASP  83           H        ASP  83   0.166  18.055 -23.734
  611    HA   ASP  83           HA       ASP  83   1.025  20.485 -22.383
  612   1HB   ASP  83          1HB       ASP  83   2.592  19.190 -23.707
  613   2HB   ASP  83          2HB       ASP  83   1.589  19.347 -25.141
  614    H    ASN  84           H        ASN  84  -0.047  22.278 -22.354
  615    HA   ASN  84           HA       ASN  84  -1.716  23.159 -24.674
  616   1HB   ASN  84          1HB       ASN  84  -2.279  23.412 -21.681
  617   2HB   ASN  84          2HB       ASN  84  -3.181  24.218 -22.965
  618   1HD2  ASN  84          2HD2      ASN  84  -2.453  20.928 -21.559
  619   2HD2  ASN  84          1HD2      ASN  84  -4.010  20.325 -22.106
  620    H    ILE  85           H        ILE  85  -0.866  24.991 -25.546
  621    HA   ILE  85           HA       ILE  85   1.137  26.533 -24.035
  622    HB   ILE  85           HB       ILE  85   0.120  26.951 -26.877
  623   1HG1  ILE  85          2HG1      ILE  85   2.630  26.103 -27.262
  624   2HG1  ILE  85          3HG1      ILE  85   2.364  25.267 -25.743
  625   1HG2  ILE  85          1HG2      ILE  85   1.070  28.980 -25.857
  626   2HG2  ILE  85          2HG2      ILE  85   2.511  28.067 -25.337
  627   3HG2  ILE  85          3HG2      ILE  85   2.180  28.335 -27.063
  628   1HD1  ILE  85          1HD1      ILE  85   1.931  23.858 -27.742
  629   2HD1  ILE  85          2HD1      ILE  85   0.471  24.014 -26.768
  630   3HD1  ILE  85          3HD1      ILE  85   0.649  24.971 -28.256
  631    H    ILE  86           H        ILE  86   0.190  27.665 -22.456
  632    HA   ILE  86           HA       ILE  86  -2.417  28.997 -22.905
  633    HB   ILE  86           HB       ILE  86  -0.788  28.892 -20.360
  634   1HG1  ILE  86          2HG1      ILE  86  -2.927  27.068 -21.511
  635   2HG1  ILE  86          3HG1      ILE  86  -1.333  26.646 -20.922
  636   1HG2  ILE  86          1HG2      ILE  86  -3.701  29.648 -20.938
  637   2HG2  ILE  86          2HG2      ILE  86  -2.948  29.573 -19.335
  638   3HG2  ILE  86          3HG2      ILE  86  -2.411  30.783 -20.478
  639   1HD1  ILE  86          1HD1      ILE  86  -2.079  27.188 -18.600
  640   2HD1  ILE  86          2HD1      ILE  86  -3.730  27.430 -19.230
  641   3HD1  ILE  86          3HD1      ILE  86  -2.954  25.852 -19.357
  642    H    TYR  87           H        TYR  87  -2.741  31.095 -23.115
  643    HA   TYR  87           HA       TYR  87  -0.348  32.804 -23.650
  644   1HB   TYR  87          1HB       TYR  87  -2.865  32.087 -25.085
  645   2HB   TYR  87          2HB       TYR  87  -2.360  33.752 -25.222
  646    HD1  TYR  87           HD1      TYR  87   0.092  34.209 -25.844
  647    HD2  TYR  87           HD2      TYR  87  -2.023  30.550 -26.698
  648    HE1  TYR  87           HE1      TYR  87   1.463  33.884 -27.862
  649    HE2  TYR  87           HE2      TYR  87  -0.661  30.271 -28.792
  650    HH   TYR  87           HH       TYR  87   1.409  32.938 -29.964
  651    H    VAL  88           H        VAL  88  -0.348  34.814 -22.961
  652    HA   VAL  88           HA       VAL  88  -2.905  36.185 -22.315
  653    HB   VAL  88           HB       VAL  88  -0.325  36.351 -20.718
  654   1HG1  VAL  88          1HG1      VAL  88  -2.608  38.314 -21.065
  655   2HG1  VAL  88          2HG1      VAL  88  -1.709  38.244 -19.545
  656   3HG1  VAL  88          3HG1      VAL  88  -0.859  38.584 -21.049
  657   1HG2  VAL  88          1HG2      VAL  88  -1.646  35.770 -18.840
  658   2HG2  VAL  88          2HG2      VAL  88  -3.162  36.112 -19.664
  659   3HG2  VAL  88          3HG2      VAL  88  -2.216  34.669 -20.086
  660    H    GLY  89           H        GLY  89  -3.128  37.120 -24.279
  661   1HA   GLY  89          1HA       GLY  89  -2.665  38.573 -26.023
  662   2HA   GLY  89          2HA       GLY  89  -1.180  39.087 -25.181
  663    H    GLU  90           H        GLU  90   0.669  38.559 -26.223
  664    HA   GLU  90           HA       GLU  90   0.750  35.911 -27.599
  665   1HB   GLU  90          1HB       GLU  90   0.966  37.990 -29.083
  666   2HB   GLU  90          2HB       GLU  90   2.547  38.208 -28.360
  667   1HG   GLU  90          1HG       GLU  90   2.603  37.074 -30.565
  668   2HG   GLU  90          2HG       GLU  90   3.319  36.098 -29.294
  669    H    LEU  91           H        LEU  91   1.759  37.479 -24.847
  670    HA   LEU  91           HA       LEU  91   4.231  36.010 -24.336
  671   1HB   LEU  91          1HB       LEU  91   3.671  38.048 -23.057
  672   2HB   LEU  91          2HB       LEU  91   2.142  37.339 -22.562
  673    HG   LEU  91           HG       LEU  91   3.432  35.539 -21.328
  674   1HD1  LEU  91          1HD1      LEU  91   5.761  37.450 -21.810
  675   2HD1  LEU  91          2HD1      LEU  91   5.766  36.051 -20.719
  676   3HD1  LEU  91          3HD1      LEU  91   5.631  35.802 -22.464
  677   1HD2  LEU  91          1HD2      LEU  91   2.387  37.449 -20.194
  678   2HD2  LEU  91          2HD2      LEU  91   3.909  36.997 -19.415
  679   3HD2  LEU  91          3HD2      LEU  91   3.849  38.424 -20.476
  680    H    LYS  92           H        LYS  92   4.346  33.886 -23.626
  681    HA   LYS  92           HA       LYS  92   1.826  32.419 -23.113
  682   1HB   LYS  92          1HB       LYS  92   2.201  30.846 -24.863
  683   2HB   LYS  92          2HB       LYS  92   2.305  32.457 -25.540
  684   1HG   LYS  92          1HG       LYS  92   4.914  32.186 -25.233
  685   2HG   LYS  92          2HG       LYS  92   4.533  30.471 -25.042
  686   1HD   LYS  92          1HD       LYS  92   5.043  30.727 -27.342
  687   2HD   LYS  92          2HD       LYS  92   3.273  30.650 -27.285
  688   1HE   LYS  92          HE2       LYS  92   3.274  33.197 -27.244
  689   2HE   LYS  92          HE3       LYS  92   5.008  33.169 -27.523
  690   1HZ   LYS  92          HZ1       LYS  92   3.460  33.382 -29.545
  691   2HZ   LYS  92          HZ2       LYS  92   4.646  32.213 -29.667
  692   3HZ   LYS  92          HZ3       LYS  92   3.068  31.841 -29.324
  693    H    HIS  93           H        HIS  93   2.167  30.130 -22.573
  694    HA   HIS  93           HA       HIS  93   4.764  29.277 -21.454
  695   1HB   HIS  93          1HB       HIS  93   3.725  30.652 -19.672
  696   2HB   HIS  93          2HB       HIS  93   2.249  29.704 -19.784
  697    HD1  HIS  93           HD1      HIS  93   2.206  27.487 -18.323
  698    HD2  HIS  93           HD2      HIS  93   5.957  29.380 -18.643
  699    HE1  HIS  93           HE1      HIS  93   3.721  26.409 -16.578
  700    H    GLN  94           H        GLN  94   4.974  27.068 -21.800
  701    HA   GLN  94           HA       GLN  94   2.743  25.384 -22.679
  702   1HB   GLN  94          1HB       GLN  94   5.677  24.918 -22.062
  703   2HB   GLN  94          2HB       GLN  94   4.552  23.562 -22.195
  704   1HG   GLN  94          1HG       GLN  94   3.877  24.287 -24.448
  705   2HG   GLN  94          2HG       GLN  94   5.050  25.612 -24.378
  706   1HE2  GLN  94          2HE2      GLN  94   4.611  22.191 -25.225
  707   2HE2  GLN  94          1HE2      GLN  94   6.356  21.948 -25.406
  708    H    TRP  95           H        TRP  95   1.181  24.929 -21.253
  709    HA   TRP  95           HA       TRP  95   1.915  24.141 -18.477
  710   1HB   TRP  95          1HB       TRP  95   0.145  25.797 -18.586
  711   2HB   TRP  95          2HB       TRP  95  -0.751  24.794 -19.735
  712    HD1  TRP  95           HD1      TRP  95  -2.675  23.626 -18.645
  713    HE1  TRP  95           HE1      TRP  95  -3.137  22.366 -16.433
  714    HE3  TRP  95           HE3      TRP  95   1.778  24.483 -16.224
  715    HZ2  TRP  95           HZ2      TRP  95  -1.693  21.594 -14.127
  716    HZ3  TRP  95           HZ3      TRP  95   2.248  23.346 -14.081
  717    HH2  TRP  95           HH2      TRP  95   0.544  21.868 -13.035
  718    H    PHE  96           H        PHE  96   2.325  22.092 -18.217
  719    HA   PHE  96           HA       PHE  96   1.159  19.956 -19.861
  720   1HB   PHE  96          1HB       PHE  96   3.004  19.876 -17.444
  721   2HB   PHE  96          2HB       PHE  96   2.583  18.508 -18.471
  722    HD1  PHE  96           HD1      PHE  96   2.934  19.150 -21.163
  723    HD2  PHE  96           HD2      PHE  96   5.143  20.778 -17.832
  724    HE1  PHE  96           HE1      PHE  96   4.784  19.780 -22.690
  725    HE2  PHE  96           HE2      PHE  96   6.995  21.383 -19.365
  726    HZ   PHE  96           HZ       PHE  96   6.813  20.895 -21.796
  727    H    GLN  97           H        GLN  97  -1.009  20.131 -19.476
  728    HA   GLN  97           HA       GLN  97  -2.195  20.357 -16.859
  729   1HB   GLN  97          1HB       GLN  97  -3.295  21.207 -18.895
  730   2HB   GLN  97          2HB       GLN  97  -3.270  19.607 -19.604
  731   1HG   GLN  97          1HG       GLN  97  -5.489  20.109 -18.934
  732   2HG   GLN  97          2HG       GLN  97  -4.909  18.801 -17.923
  733   1HE2  GLN  97          2HE2      GLN  97  -7.146  20.126 -17.156
  734   2HE2  GLN  97          1HE2      GLN  97  -6.729  20.862 -15.594
  735    H    LYS  98           H        LYS  98  -3.095  18.919 -15.539
  736    HA   LYS  98           HA       LYS  98  -3.366  16.095 -16.387
  737   1HB   LYS  98          1HB       LYS  98  -2.984  15.275 -14.185
  738   2HB   LYS  98          2HB       LYS  98  -1.561  16.157 -14.709
  739   1HG   LYS  98          1HG       LYS  98  -1.888  17.901 -13.151
  740   2HG   LYS  98          2HG       LYS  98  -3.618  17.587 -12.994
  741   1HD   LYS  98          1HD       LYS  98  -3.152  15.433 -11.853
  742   2HD   LYS  98          2HD       LYS  98  -1.417  15.721 -12.008
  743   1HE   LYS  98          HE2       LYS  98  -2.223  16.183  -9.743
  744   2HE   LYS  98          HE3       LYS  98  -1.572  17.651 -10.491
  745   1HZ   LYS  98          HZ1       LYS  98  -4.464  17.111 -10.698
  746   2HZ   LYS  98          HZ2       LYS  98  -3.868  17.777  -9.300
  747   3HZ   LYS  98          HZ3       LYS  98  -3.666  18.538 -10.745
  748    H    GLY  99           H        GLY  99  -5.166  14.966 -15.245
  749   1HA   GLY  99          1HA       GLY  99  -7.273  15.743 -13.814
  750   2HA   GLY  99          2HA       GLY  99  -7.569  16.578 -15.351